data_2mho_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 2mho _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 ' 6' ' ' GLU . . . . . . . . . . . . 0.303 10.8 pt-20 . . . . . 1 N--CA 1.55 4.567 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 . . . . . . . . . 2 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -100.08 143.64 30.05 Favored 'General case' 1 N--CA 1.552 4.65 0 C-N-CA 126.085 1.754 . . . . 0.0 113.539 -174.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -129.39 131.42 46.81 Favored 'General case' 2 C--N 1.439 4.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.46 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.296 11.4 pt-20 -104.93 111.59 24.41 Favored 'General case' 0 C--N 1.423 3.761 0 C-N-CA 126.496 1.918 . . . . 0.0 112.465 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -113.63 142.1 27.31 Favored 'Isoleucine or valine' 2 N--CA 1.549 4.478 0 C-N-CA 125.552 1.541 . . . . 0.0 108.756 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 m -117.14 120.96 39.91 Favored 'General case' 0 N--CA 1.536 3.837 0 C-N-CA 125.9 1.68 . . . . 0.0 108.836 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.522 3.146 0 C-N-CA 127.475 2.31 . . . . 0.0 113.758 178.836 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.524 4.56 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -156.22 172.41 18.5 Favored 'General case' 2 C--N 1.434 4.253 0 C-N-CA 128.985 2.914 . . . . 0.0 109.124 176.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.429 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 73.7 m -138.86 144.51 39.25 Favored 'General case' 1 C--N 1.445 4.749 0 C-N-CA 125.076 1.35 . . . . 0.0 110.883 168.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.582 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.631 2.0 pp -115.47 127.35 73.08 Favored 'Isoleucine or valine' 2 N--CA 1.553 4.723 0 N-CA-C 119.92 3.304 . . . . 0.0 119.92 -175.15 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.34 117.52 34.22 Favored 'General case' 1 C--N 1.448 4.89 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.12 -178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.84 161.16 26.6 Favored Glycine 0 N--CA 1.512 3.719 0 O-C-N 124.552 1.157 . . . . 0.0 114.699 -174.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.29 162.27 26.29 Favored Glycine 0 C--N 1.397 3.918 0 N-CA-C 117.042 1.577 . . . . 0.0 117.042 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.3 p -104.62 -38.35 6.77 Favored 'General case' 1 N--CA 1.556 4.868 0 C-N-CA 127.098 2.159 . . . . 0.0 111.902 164.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.09 -30.34 9.33 Favored 'General case' 1 C--N 1.436 4.328 0 C-N-CA 126.568 1.947 . . . . 0.0 113.183 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 . . . . . 2 CA--C 1.661 5.231 0 C-N-CA 127.011 2.124 . . . . 0.0 113.101 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 p . . . . . 1 N--CA 1.549 4.507 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.458 HG12 HG12 ' A' ' 69' ' ' VAL 0.273 1.0 OUTLIER -96.34 119.27 44.18 Favored 'Isoleucine or valine' 3 C--N 1.451 5.013 0 C-N-CA 125.797 1.639 . . . . 0.0 109.611 -178.276 . . . . . . . . 5 4 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -121.25 147.13 46.06 Favored 'General case' 1 N--CA 1.542 4.142 0 C-N-CA 129.585 3.154 . . . . 0.0 112.079 -170.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.59 139.64 17.05 Favored 'Isoleucine or valine' 2 C--N 1.45 4.977 0 C-N-CA 125.873 1.669 . . . . 0.0 110.349 176.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.384 13.8 p -145.81 -24.95 0.46 Allowed 'General case' 1 N--CA 1.556 4.86 0 C-N-CA 127.239 2.216 . . . . 0.0 114.239 -179.598 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.1 tmtm? -121.38 125.63 47.43 Favored 'General case' 1 C--N 1.472 5.907 0 CA-C-N 118.439 0.563 . . . . 0.0 111.043 177.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.636 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 43.2 mm -123.92 129.62 74.24 Favored 'Isoleucine or valine' 0 C--N 1.415 3.431 0 C-N-CA 126.867 2.067 . . . . 0.0 108.647 173.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.291 3.2 mp -83.86 131.02 52.98 Favored Pre-proline 2 CA--C 1.678 5.903 0 C-N-CA 126.391 1.877 . . . . 0.0 110.517 172.62 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.96 -21.44 63.83 Favored 'Trans proline' 3 C--N 1.538 10.503 0 C-N-CA 124.168 3.245 . . . . 0.0 117.649 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.58 38.7 1.95 Allowed Glycine 1 C--N 1.429 5.723 0 CA-C-O 117.911 -1.494 . . . . 0.0 116.397 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.53 -178.12 38.37 Favored Glycine 2 C--N 1.444 6.536 0 C-N-CA 124.937 1.256 . . . . 0.0 115.898 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.01 -37.63 28.85 Favored 'General case' 0 N--CA 1.539 3.977 0 C-N-CA 128.472 2.709 . . . . 0.0 115.778 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.42 -23.61 37.43 Favored 'General case' 2 N--CA 1.56 5.037 0 C-N-CA 126.755 2.022 . . . . 0.0 116.069 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.04 -42.89 16.94 Favored 'General case' 1 C--N 1.447 4.825 0 C-N-CA 127.403 2.281 . . . . 0.0 113.242 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -91.24 -57.24 2.86 Favored 'General case' 1 C--N 1.451 4.987 0 C-N-CA 127.309 2.244 . . . . 0.0 115.215 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.71 -33.15 15.88 Favored 'General case' 2 C--N 1.46 5.37 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 -172.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.52 -50.8 3.88 Favored Glycine 2 C--N 1.438 6.225 0 N-CA-C 117.308 1.683 . . . . 0.0 117.308 -173.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.593 99.3 mtt180 91.61 53.0 0.0 OUTLIER 'General case' 2 N--CA 1.574 5.725 0 C-N-CA 130.707 3.603 . . . . 0.0 116.745 -179.31 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.25 129.19 56.05 Favored 'General case' 0 C--N 1.415 3.454 0 C-N-CA 127.712 2.405 . . . . 0.0 111.21 170.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -111.1 154.39 24.34 Favored 'General case' 0 N--CA 1.525 3.321 0 C-N-CA 127.513 2.325 . . . . 0.0 110.794 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.484 HG22 HG12 ' A' ' 43' ' ' ILE . 6.2 p -53.52 -28.87 16.3 Favored 'Isoleucine or valine' 2 N--CA 1.569 5.478 0 C-N-CA 129.476 3.11 . . . . 0.0 115.983 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.283 9.7 p30 -91.13 8.62 34.71 Favored 'General case' 1 CA--C 1.656 5.054 0 C-N-CA 128.613 2.765 . . . . 0.0 113.798 178.612 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 2.0 m-20 -87.64 -31.87 19.55 Favored 'General case' 2 C--N 1.487 6.583 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -179.213 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m 46.84 121.02 0.0 OUTLIER 'General case' 2 N--CA 1.599 6.982 0 C-N-CA 129.098 2.959 . . . . 0.0 116.289 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.448 HG21 HG12 ' A' ' 64' ' ' VAL 0.278 35.1 mt -85.95 131.34 34.72 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.949 0 C-N-CA 124.371 1.068 . . . . 0.0 111.159 -175.441 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.272 1.6 pt? -98.67 -46.91 5.53 Favored 'General case' 0 C--N 1.425 3.871 0 O-C-N 124.975 1.422 . . . . 0.0 112.018 167.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -131.26 134.95 46.92 Favored 'General case' 1 C--N 1.447 4.81 0 O-C-N 125.143 1.527 . . . . 0.0 112.7 -176.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.448 HG12 HG21 ' A' ' 61' ' ' ILE 0.434 0.4 OUTLIER -121.62 141.59 41.43 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.12 0 C-N-CA 124.735 1.214 . . . . 0.0 110.987 172.347 . . . . . . . . 5 4 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.5 m120 73.87 -5.3 2.06 Favored 'General case' 2 N--CA 1.606 7.37 0 C-N-CA 127.679 2.391 . . . . 0.0 114.975 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.556 12.7 pt-20 82.48 12.61 0.54 Allowed 'General case' 3 N--CA 1.578 5.958 1 C-N-CA 131.775 4.03 . . . . 0.0 112.043 -156.914 . . . . . . . . 4 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.276 0.3 OUTLIER -98.43 150.38 4.9 Favored 'Isoleucine or valine' 1 C--N 1.451 4.991 0 C-N-CA 129.593 3.157 . . . . 0.0 111.214 -177.941 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.375 4.3 p-10 -84.61 96.26 9.13 Favored 'General case' 0 C--N 1.407 3.069 0 C-N-CA 127.923 2.489 . . . . 0.0 114.108 -173.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.458 HG12 HG12 ' A' ' 38' ' ' ILE 0.348 0.6 OUTLIER -99.65 -2.59 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.691 0 CA-C-N 111.33 -2.668 . . . . 0.0 113.215 179.292 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -58.0 -21.12 43.26 Favored 'General case' 2 N--CA 1.578 5.949 0 C-N-CA 127.691 2.396 . . . . 0.0 115.609 175.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -155.85 81.41 1.01 Allowed 'General case' 1 C--N 1.457 5.261 0 C-N-CA 129.131 2.972 . . . . 0.0 109.503 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.5 m -146.46 163.35 9.29 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.432 0 C-N-CA 127.982 2.513 . . . . 0.0 109.94 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 p -76.11 161.94 28.43 Favored 'General case' 1 N--CA 1.563 5.221 0 C-N-CA 125.897 1.679 . . . . 0.0 111.97 164.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -46.22 -56.73 5.31 Favored 'General case' 4 N--CA 1.583 6.217 0 C-N-CA 128.855 2.862 . . . . 0.0 112.287 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.7 p -58.58 -34.76 71.45 Favored 'General case' 2 C--N 1.455 5.181 0 C-N-CA 127.23 2.212 . . . . 0.0 114.382 176.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.47 -23.73 61.09 Favored 'General case' 1 C--N 1.444 4.715 0 C-N-CA 128.807 2.843 . . . . 0.0 114.401 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.81 -29.24 17.69 Favored 'General case' 1 C--N 1.467 5.706 0 C-N-CA 125.949 1.7 . . . . 0.0 113.195 172.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.4 t -73.19 -39.97 57.11 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.762 0 C-N-CA 127.043 2.137 . . . . 0.0 111.199 172.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 7.9 mm-40 -67.69 -16.03 63.94 Favored 'General case' 1 N--CA 1.597 6.88 0 C-N-CA 128.464 2.706 . . . . 0.0 115.512 177.576 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.56 -29.37 52.14 Favored 'General case' 0 CA--C 1.625 3.859 0 C-N-CA 126.629 1.972 . . . . 0.0 111.373 165.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.491 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.269 11.7 mt -92.78 -33.95 14.08 Favored 'General case' 1 C--N 1.459 5.368 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -178.489 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -87.2 -36.47 17.98 Favored 'General case' 1 N--CA 1.54 4.063 0 C-N-CA 127.751 2.421 . . . . 0.0 114.244 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.274 37.3 mt-10 -85.16 -22.42 28.8 Favored 'General case' 2 N--CA 1.588 6.473 0 N-CA-C 119.197 3.036 . . . . 0.0 119.197 -178.045 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -22.18 62.08 Favored 'General case' 3 N--CA 1.583 6.216 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.79 -34.99 5.05 Favored Glycine 1 C--N 1.427 5.628 0 N-CA-C 120.488 2.955 . . . . 0.0 120.488 164.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 t -167.17 -30.39 0.02 OUTLIER 'General case' 1 N--CA 1.555 4.777 0 C-N-CA 127.965 2.506 . . . . 0.0 111.218 -173.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.267 28.4 mm -125.64 122.54 62.59 Favored 'Isoleucine or valine' 1 C--N 1.439 4.469 0 C-N-CA 125.375 1.47 . . . . 0.0 109.812 -177.92 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.391 21.9 m -124.26 118.15 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.916 0 C-N-CA 127.155 2.182 . . . . 0.0 112.176 176.686 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.419 37.9 ptt180 -110.39 100.06 8.97 Favored 'General case' 1 N--CA 1.561 5.112 0 C-N-CA 125.941 1.696 . . . . 0.0 115.005 -175.22 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -96.59 139.27 32.93 Favored 'General case' 0 N--CA 1.533 3.682 0 C-N-CA 128.012 2.525 . . . . 0.0 115.081 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -119.78 112.8 19.71 Favored 'General case' 1 C--O 1.324 5.021 0 C-N-CA 127.051 2.14 . . . . 0.0 111.14 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.263 32.4 m -106.4 158.0 6.66 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.109 0 O-C-N 127.08 2.737 . . . . 0.0 114.91 -176.903 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.29 25.8 ptt? -128.03 115.96 19.28 Favored 'General case' 1 N--CA 1.563 5.216 0 C-N-CA 128.094 2.558 . . . . 0.0 114.09 -176.04 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.343 38.4 ptt180 . . . . . 1 N--CA 1.554 4.743 0 C-N-CA 126.357 1.863 . . . . 0.0 113.247 179.613 . . . . . . . . 2 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.582 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 69.0 m . . . . . 0 CA--C 1.629 3.988 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.439 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.25 3.4 t . . . . . 1 C--N 1.435 4.325 0 C-N-CA 127.157 2.183 . . . . 0.0 109.364 -177.11 . . . . . . . . 2 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.339 10.6 pt-20 . . . . . 1 N--CA 1.549 4.477 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 2 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -104.66 145.15 30.75 Favored 'General case' 1 N--CA 1.545 4.313 0 C-N-CA 126.2 1.8 . . . . 0.0 113.358 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -123.47 131.99 53.8 Favored 'General case' 2 N--CA 1.549 4.521 0 C-N-CA 125.6 1.56 . . . . 0.0 114.007 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.299 12.0 pt-20 -108.75 109.04 20.09 Favored 'General case' 0 C--N 1.427 3.952 0 C-N-CA 125.738 1.615 . . . . 0.0 111.874 173.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -114.57 142.42 27.39 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.026 0 O-C-N 124.755 1.284 . . . . 0.0 110.84 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.253 0.8 OUTLIER -113.62 125.93 54.71 Favored 'General case' 2 N--CA 1.55 4.557 0 C-N-CA 127.084 2.153 . . . . 0.0 114.061 173.521 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.534 3.738 0 C-N-CA 127.362 2.265 . . . . 0.0 113.433 176.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.062 0 N-CA-C 118.163 2.025 . . . . 0.0 118.163 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -161.56 168.86 22.8 Favored 'General case' 3 N--CA 1.543 4.218 0 C-N-CA 128.576 2.75 . . . . 0.0 109.329 169.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.501 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.3 m -134.93 144.77 47.65 Favored 'General case' 1 C--N 1.448 4.857 0 C-N-CA 125.463 1.505 . . . . 0.0 110.809 169.409 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.448 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.572 2.2 pp -120.99 129.9 75.23 Favored 'Isoleucine or valine' 2 N--CA 1.576 5.855 0 N-CA-C 120.283 3.438 . . . . 0.0 120.283 -174.083 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.11 119.1 38.25 Favored 'General case' 1 C--N 1.445 4.722 0 CA-C-N 113.492 -1.686 . . . . 0.0 111.856 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.42 162.42 30.65 Favored Glycine 0 C--N 1.394 3.792 0 O-C-N 124.922 1.389 . . . . 0.0 114.734 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.65 132.14 1.55 Allowed Glycine 1 C--N 1.413 4.829 0 N-CA-C 119.094 2.398 . . . . 0.0 119.094 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.315 7.9 p -97.58 -33.58 11.29 Favored 'General case' 1 N--CA 1.561 5.076 0 C-N-CA 125.005 1.322 . . . . 0.0 113.247 161.0 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.43 2.2 p30 -113.01 -29.03 7.48 Favored 'General case' 1 C--N 1.445 4.753 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 174.137 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 2 CA--C 1.649 4.762 0 C-N-CA 126.587 1.955 . . . . 0.0 113.239 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 1 N--CA 1.554 4.731 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.487 HG12 HG11 ' A' ' 69' ' ' VAL 0.269 0.8 OUTLIER -97.36 120.92 47.31 Favored 'Isoleucine or valine' 3 C--N 1.443 4.661 0 C-N-CA 125.465 1.506 . . . . 0.0 109.696 -178.042 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -125.63 158.85 33.66 Favored 'General case' 3 N--CA 1.547 4.387 0 C-N-CA 127.456 2.302 . . . . 0.0 111.746 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -88.55 142.84 12.34 Favored 'Isoleucine or valine' 1 C--N 1.46 5.4 0 C-N-CA 126.139 1.776 . . . . 0.0 109.449 172.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.304 2.9 p -145.29 -26.5 0.47 Allowed 'General case' 1 N--CA 1.559 5.005 0 C-N-CA 127.554 2.342 . . . . 0.0 113.771 -177.261 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.9 tmtm? -126.33 129.73 49.42 Favored 'General case' 1 C--N 1.468 5.732 0 C-N-CA 123.538 0.735 . . . . 0.0 110.833 178.304 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.627 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 43.7 mm -124.91 131.21 72.89 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.313 0 C-N-CA 127.142 2.177 . . . . 0.0 108.805 174.53 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.297 3.7 mp -82.13 131.26 56.96 Favored Pre-proline 2 CA--C 1.678 5.898 0 C-N-CA 125.993 1.717 . . . . 0.0 110.775 171.812 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.94 -22.66 55.43 Favored 'Trans proline' 3 C--N 1.536 10.431 0 C-N-CA 124.228 3.285 . . . . 0.0 117.451 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.7 43.45 1.29 Allowed Glycine 1 C--N 1.429 5.696 0 O-C-N 124.795 1.309 . . . . 0.0 115.625 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.65 -177.84 32.43 Favored Glycine 2 C--N 1.437 6.189 0 C-N-CA 125.514 1.531 . . . . 0.0 115.284 174.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.72 -35.74 33.06 Favored 'General case' 1 N--CA 1.54 4.074 0 C-N-CA 127.711 2.404 . . . . 0.0 115.718 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.05 -25.83 36.8 Favored 'General case' 2 C--N 1.445 4.753 0 C-N-CA 126.792 2.037 . . . . 0.0 116.144 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.39 -42.35 15.79 Favored 'General case' 1 C--N 1.446 4.796 0 C-N-CA 127.272 2.229 . . . . 0.0 113.527 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -90.91 -57.11 2.92 Favored 'General case' 1 C--N 1.449 4.931 0 C-N-CA 127.286 2.234 . . . . 0.0 114.924 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.8 -33.73 15.59 Favored 'General case' 1 C--N 1.46 5.388 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 -173.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.7 -47.46 5.35 Favored Glycine 2 C--N 1.443 6.513 0 N-CA-C 117.343 1.697 . . . . 0.0 117.343 -174.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.56 99.0 mtt180 88.44 52.62 0.01 OUTLIER 'General case' 2 N--CA 1.576 5.873 0 C-N-CA 130.534 3.534 . . . . 0.0 116.218 -178.558 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.09 131.45 55.07 Favored 'General case' 0 C--N 1.417 3.514 0 C-N-CA 127.927 2.491 . . . . 0.0 111.528 171.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.35 156.12 22.05 Favored 'General case' 0 N--CA 1.529 3.518 0 C-N-CA 127.786 2.434 . . . . 0.0 110.463 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.489 HG23 HG12 ' A' ' 43' ' ' ILE . 5.6 p -57.04 -28.2 28.68 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.083 0 C-N-CA 128.775 2.83 . . . . 0.0 115.583 178.35 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -91.88 9.98 30.66 Favored 'General case' 1 CA--C 1.674 5.717 0 C-N-CA 128.889 2.875 . . . . 0.0 112.321 177.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.39 -34.0 18.92 Favored 'General case' 2 C--N 1.487 6.551 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.25 69.5 m 44.83 120.06 0.0 OUTLIER 'General case' 2 N--CA 1.588 6.43 0 C-N-CA 129.41 3.084 . . . . 0.0 116.878 176.387 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mt -84.98 126.46 40.31 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.973 0 C-N-CA 124.666 1.186 . . . . 0.0 110.106 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.26 1.2 pt? -91.38 -46.17 8.17 Favored 'General case' 1 C--N 1.43 4.071 0 C-N-CA 125.443 1.497 . . . . 0.0 111.837 170.691 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -129.08 128.38 43.41 Favored 'General case' 1 C--N 1.449 4.925 0 O-C-N 125.164 1.54 . . . . 0.0 113.257 -177.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.438 HG21 HG13 ' A' ' 69' ' ' VAL 0.253 3.5 t -116.07 130.51 70.67 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.086 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 -179.932 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 72.27 -1.38 2.93 Favored 'General case' 2 N--CA 1.612 7.658 0 C-N-CA 129.306 3.042 . . . . 0.0 114.902 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.396 12.0 mm-40 87.85 7.3 0.2 Allowed 'General case' 3 N--CA 1.579 6.019 0 C-N-CA 130.584 3.554 . . . . 0.0 111.717 -160.236 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.412 27.0 m -94.12 155.6 3.19 Favored 'Isoleucine or valine' 1 C--N 1.469 5.792 0 C-N-CA 127.048 2.139 . . . . 0.0 113.619 178.651 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.268 13.5 t70 -86.02 102.55 13.9 Favored 'General case' 0 C--N 1.42 3.647 0 C-N-CA 127.119 2.168 . . . . 0.0 112.013 -171.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 38' ' ' ILE 0.315 1.0 OUTLIER -102.93 -16.75 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.438 0 CA-C-N 110.006 -3.27 . . . . 0.0 114.093 -177.94 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.338 38.7 ptt180 -52.53 -20.04 2.68 Favored 'General case' 2 N--CA 1.578 5.938 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 -179.155 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -149.28 76.85 1.34 Allowed 'General case' 1 C--N 1.436 4.365 0 C-N-CA 129.18 2.992 . . . . 0.0 109.492 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 27.9 m -143.97 167.06 12.75 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.253 0 C-N-CA 127.354 2.262 . . . . 0.0 110.272 177.772 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -79.37 162.76 25.35 Favored 'General case' 1 N--CA 1.562 5.144 0 C-N-CA 126.429 1.892 . . . . 0.0 111.522 166.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.286 56.2 p-80 -51.12 -54.18 27.56 Favored 'General case' 2 N--CA 1.6 7.038 0 C-N-CA 125.393 1.477 . . . . 0.0 114.327 176.839 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 t -61.37 -31.83 71.73 Favored 'General case' 3 N--CA 1.555 4.816 0 C-N-CA 127.232 2.213 . . . . 0.0 113.06 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.88 -23.17 60.69 Favored 'General case' 1 C--N 1.452 5.063 0 C-N-CA 128.278 2.631 . . . . 0.0 113.936 175.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.76 -33.03 15.89 Favored 'General case' 1 C--N 1.465 5.595 0 C-N-CA 126.237 1.815 . . . . 0.0 112.775 173.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.87 -40.46 78.91 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.745 0 C-N-CA 127.777 2.431 . . . . 0.0 111.124 174.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.9 mt-10 -63.33 -20.83 65.84 Favored 'General case' 2 N--CA 1.599 6.994 0 C-N-CA 127.971 2.509 . . . . 0.0 114.986 176.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.29 -28.25 53.33 Favored 'General case' 1 CA--C 1.632 4.097 0 C-N-CA 127.213 2.205 . . . . 0.0 112.396 168.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.49 -34.01 14.26 Favored 'General case' 2 C--N 1.457 5.249 0 C-N-CA 126.568 1.947 . . . . 0.0 114.848 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -85.93 -40.23 16.11 Favored 'General case' 1 N--CA 1.541 4.098 0 C-N-CA 127.276 2.23 . . . . 0.0 114.047 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 40.8 mt-10 -91.01 -5.09 55.82 Favored 'General case' 2 N--CA 1.583 6.189 0 N-CA-C 118.757 2.873 . . . . 0.0 118.757 -177.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.522 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -58.82 -21.84 57.39 Favored 'General case' 3 N--CA 1.588 6.47 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 178.337 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.26 -35.18 4.58 Favored Glycine 1 C--N 1.428 5.668 0 C-N-CA 126.442 1.972 . . . . 0.0 117.802 167.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.6 p 176.17 -37.71 0.01 OUTLIER 'General case' 2 N--CA 1.567 5.397 0 C-N-CA 130.17 3.388 . . . . 0.0 112.391 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.266 31.5 mm -119.01 113.13 40.53 Favored 'Isoleucine or valine' 0 C--N 1.427 3.945 0 C-N-CA 127.325 2.25 . . . . 0.0 107.901 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.522 HG22 ' HB1' ' A' ' 84' ' ' ALA . 94.8 t -113.66 138.13 44.43 Favored 'Isoleucine or valine' 1 CA--C 1.641 4.449 0 C-N-CA 128.512 2.725 . . . . 0.0 108.769 -174.166 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.362 0.0 OUTLIER -120.49 128.13 52.85 Favored 'General case' 1 N--CA 1.545 4.297 0 C-N-CA 126.899 2.08 . . . . 0.0 113.448 176.728 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -119.79 139.97 51.49 Favored 'General case' 0 N--CA 1.536 3.833 0 C-N-CA 127.688 2.395 . . . . 0.0 112.942 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -120.25 110.45 16.59 Favored 'General case' 0 C--O 1.299 3.692 0 C-N-CA 126.326 1.85 . . . . 0.0 111.178 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.258 27.2 m -106.01 160.83 5.64 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.714 0 O-C-N 126.632 2.457 . . . . 0.0 115.272 -175.362 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.284 18.5 ptp -119.92 125.84 49.43 Favored 'General case' 1 N--CA 1.57 5.54 0 C-N-CA 127.481 2.313 . . . . 0.0 114.889 -176.741 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 1 N--CA 1.545 4.291 0 C-N-CA 127.746 2.418 . . . . 0.0 110.907 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.448 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 62.4 m . . . . . 2 N--CA 1.548 4.432 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 2 C--N 1.446 4.776 0 C-N-CA 125.831 1.652 . . . . 0.0 107.803 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.304 10.4 pt-20 . . . . . 1 N--CA 1.548 4.439 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 . . . . . . . . . 2 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.51 145.31 30.21 Favored 'General case' 1 N--CA 1.554 4.763 0 C-N-CA 125.966 1.706 . . . . 0.0 113.913 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -130.9 133.05 45.52 Favored 'General case' 2 C--N 1.444 4.699 0 C-N-CA 124.735 1.214 . . . . 0.0 111.615 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.291 11.5 pt-20 -106.46 112.86 26.05 Favored 'General case' 0 C--N 1.427 3.955 0 C-N-CA 126.378 1.871 . . . . 0.0 112.682 174.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -114.53 146.52 18.91 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.121 0 C-N-CA 125.346 1.458 . . . . 0.0 109.675 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -119.87 127.73 53.0 Favored 'General case' 2 N--CA 1.547 4.385 0 C-N-CA 126.291 1.837 . . . . 0.0 109.932 177.575 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 1 N--CA 1.541 4.101 0 C-N-CA 127.997 2.519 . . . . 0.0 113.868 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.537 5.38 0 N-CA-C 119.502 2.561 . . . . 0.0 119.502 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -156.45 172.66 18.13 Favored 'General case' 3 N--CA 1.548 4.472 0 C-N-CA 127.617 2.367 . . . . 0.0 109.92 176.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.485 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.2 m -137.5 142.99 41.48 Favored 'General case' 1 C--N 1.446 4.795 0 C-N-CA 125.491 1.516 . . . . 0.0 110.316 168.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.5 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.578 2.0 pp -119.28 131.79 70.95 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.396 0 N-CA-C 120.693 3.59 . . . . 0.0 120.693 -174.211 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.02 117.85 35.27 Favored 'General case' 1 C--N 1.446 4.787 0 CA-C-N 113.251 -1.795 . . . . 0.0 110.296 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.28 154.21 25.28 Favored Glycine 0 N--CA 1.515 3.949 0 C-N-CA 125.405 1.478 . . . . 0.0 113.61 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.3 142.61 4.37 Favored Glycine 1 C--N 1.411 4.703 0 N-CA-C 119.206 2.442 . . . . 0.0 119.206 -172.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 p -104.75 -41.22 5.72 Favored 'General case' 1 N--CA 1.553 4.71 0 C-N-CA 126.591 1.956 . . . . 0.0 112.476 163.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.99 -30.98 9.94 Favored 'General case' 1 C--N 1.434 4.254 0 C-N-CA 126.582 1.953 . . . . 0.0 113.308 177.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 2 CA--C 1.655 4.997 0 C-N-CA 127.077 2.151 . . . . 0.0 112.546 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 1 N--CA 1.558 4.968 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.306 0.6 OUTLIER -93.04 113.87 28.75 Favored 'Isoleucine or valine' 3 C--N 1.455 5.195 0 C-N-CA 125.23 1.412 . . . . 0.0 109.694 -178.121 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -122.76 144.87 48.88 Favored 'General case' 0 C--O 1.303 3.909 0 C-N-CA 129.636 3.175 . . . . 0.0 111.848 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -87.55 141.15 14.72 Favored 'Isoleucine or valine' 2 C--N 1.445 4.718 0 C-N-CA 126.049 1.74 . . . . 0.0 110.196 176.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.311 5.7 p -144.79 -28.16 0.48 Allowed 'General case' 1 N--CA 1.553 4.693 0 C-N-CA 127.316 2.246 . . . . 0.0 114.14 -176.512 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 10.5 tmtt? -125.19 126.26 44.95 Favored 'General case' 1 C--N 1.471 5.864 0 O-C-N 123.652 0.595 . . . . 0.0 111.006 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.644 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.276 44.1 mm -123.5 128.68 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.259 0 C-N-CA 127.002 2.121 . . . . 0.0 108.438 175.083 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.303 3.2 mp -83.42 130.73 55.23 Favored Pre-proline 2 CA--C 1.681 6.003 0 C-N-CA 126.156 1.783 . . . . 0.0 110.924 174.597 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.81 -23.22 69.01 Favored 'Trans proline' 3 C--N 1.54 10.644 0 C-N-CA 124.439 3.426 . . . . 0.0 117.562 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.47 41.89 1.47 Allowed Glycine 1 C--N 1.43 5.76 0 CA-C-O 118.234 -1.315 . . . . 0.0 115.651 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.67 -177.49 33.9 Favored Glycine 2 C--N 1.439 6.258 0 C-N-CA 125.491 1.52 . . . . 0.0 115.587 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.67 -36.26 32.63 Favored 'General case' 1 N--CA 1.543 4.186 0 C-N-CA 127.726 2.411 . . . . 0.0 115.814 -177.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.28 -25.42 36.55 Favored 'General case' 2 C--N 1.442 4.602 0 C-N-CA 126.861 2.064 . . . . 0.0 116.146 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 -42.23 15.77 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 127.186 2.195 . . . . 0.0 113.537 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -90.94 -56.71 3.07 Favored 'General case' 2 C--N 1.448 4.883 0 C-N-CA 127.233 2.213 . . . . 0.0 115.005 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.79 -34.22 15.4 Favored 'General case' 1 C--N 1.459 5.338 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 -172.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.77 -52.41 3.15 Favored Glycine 2 C--N 1.443 6.475 0 N-CA-C 117.369 1.708 . . . . 0.0 117.369 -173.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.571 99.3 mtt180 92.73 55.2 0.0 OUTLIER 'General case' 2 N--CA 1.576 5.832 0 C-N-CA 130.796 3.638 . . . . 0.0 116.338 -178.476 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.01 131.34 55.13 Favored 'General case' 0 C--N 1.417 3.518 0 C-N-CA 127.919 2.488 . . . . 0.0 111.057 171.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -111.21 153.64 25.54 Favored 'General case' 0 N--CA 1.525 3.278 0 C-N-CA 127.482 2.313 . . . . 0.0 110.498 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 HG12 ' A' ' 43' ' ' ILE . 6.0 p -55.98 -28.31 24.45 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.005 0 C-N-CA 129.147 2.979 . . . . 0.0 115.929 178.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.94 9.94 30.93 Favored 'General case' 1 CA--C 1.671 5.601 0 C-N-CA 128.924 2.889 . . . . 0.0 112.194 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.272 1.6 m-20 -88.01 -32.28 18.89 Favored 'General case' 2 C--N 1.489 6.661 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -179.762 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 m 43.95 120.18 0.0 OUTLIER 'General case' 2 N--CA 1.599 6.98 0 C-N-CA 129.089 2.955 . . . . 0.0 116.733 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.556 HG21 HG22 ' A' ' 64' ' ' VAL . 8.3 mt -85.41 130.23 36.6 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.027 0 C-N-CA 124.709 1.203 . . . . 0.0 110.723 -174.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.258 1.5 pt? -96.11 -45.92 6.68 Favored 'General case' 1 C--N 1.431 4.144 0 O-C-N 125.134 1.521 . . . . 0.0 112.463 169.776 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -132.31 130.57 40.99 Favored 'General case' 1 C--N 1.45 4.959 0 O-C-N 125.081 1.488 . . . . 0.0 112.698 -175.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.556 HG22 HG21 ' A' ' 61' ' ' ILE 0.398 0.4 OUTLIER -120.52 140.97 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.639 0 O-C-N 123.795 0.685 . . . . 0.0 112.822 179.58 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.281 4.9 m-20 71.64 -75.56 0.07 Allowed 'General case' 1 N--CA 1.586 6.369 0 C-N-CA 127.949 2.5 . . . . 0.0 111.627 -175.935 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -159.0 7.89 0.11 Allowed 'General case' 2 CA--C 1.637 4.314 1 C-N-CA 133.259 4.624 . . . . 0.0 108.232 171.129 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.344 27.6 m -105.11 157.34 5.99 Favored 'Isoleucine or valine' 1 C--N 1.463 5.518 0 C-N-CA 126.668 1.987 . . . . 0.0 115.78 -165.104 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.371 4.3 p-10 -88.15 94.93 9.97 Favored 'General case' 0 C--N 1.417 3.515 0 C-N-CA 127.817 2.447 . . . . 0.0 113.121 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.452 21.7 m -87.62 -8.42 10.98 Favored 'Isoleucine or valine' 1 N--CA 1.562 5.139 0 CA-C-N 113.156 -1.838 . . . . 0.0 114.637 174.457 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -48.95 -26.86 2.73 Favored 'General case' 2 N--CA 1.594 6.757 0 C-N-CA 128.229 2.612 . . . . 0.0 116.177 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -148.14 78.96 1.45 Allowed 'General case' 1 C--N 1.448 4.887 0 C-N-CA 130.064 3.345 . . . . 0.0 109.523 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 1.589 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.275 19.2 m -141.2 165.32 19.33 Favored 'Isoleucine or valine' 1 N--CA 1.566 5.35 0 C-N-CA 126.543 1.937 . . . . 0.0 109.147 174.4 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 p -79.7 165.35 22.93 Favored 'General case' 1 N--CA 1.557 4.911 0 C-N-CA 127.808 2.443 . . . . 0.0 111.198 168.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -49.59 -54.84 15.99 Favored 'General case' 3 N--CA 1.579 5.994 0 C-N-CA 128.304 2.642 . . . . 0.0 111.537 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 t -64.14 -27.5 69.12 Favored 'General case' 1 C--N 1.451 5.007 0 C-N-CA 126.872 2.069 . . . . 0.0 113.399 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.66 -19.68 48.49 Favored 'General case' 1 C--N 1.476 6.106 0 C-N-CA 126.294 1.838 . . . . 0.0 112.695 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.09 -34.3 16.8 Favored 'General case' 1 C--N 1.465 5.625 0 C-N-CA 126.774 2.03 . . . . 0.0 112.914 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -74.88 -42.23 46.54 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.834 0 C-N-CA 126.903 2.081 . . . . 0.0 111.187 175.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.8 mt-10 -63.88 -22.89 67.13 Favored 'General case' 2 N--CA 1.607 7.419 0 C-N-CA 127.89 2.476 . . . . 0.0 115.079 178.259 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.47 -28.05 56.36 Favored 'General case' 0 CA--C 1.627 3.918 0 C-N-CA 126.825 2.05 . . . . 0.0 112.143 168.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 mt -92.99 -29.48 15.82 Favored 'General case' 1 C--N 1.463 5.506 0 C-N-CA 126.714 2.006 . . . . 0.0 115.543 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -88.0 -41.98 12.75 Favored 'General case' 1 N--CA 1.541 4.095 0 C-N-CA 127.227 2.211 . . . . 0.0 113.416 175.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.251 41.3 mt-10 -91.53 3.19 55.6 Favored 'General case' 2 N--CA 1.586 6.36 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -178.332 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -62.6 -25.65 68.2 Favored 'General case' 2 N--CA 1.586 6.357 0 C-N-CA 125.094 1.358 . . . . 0.0 114.257 175.279 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.94 -34.47 5.08 Favored Glycine 1 C--N 1.424 5.419 0 C-N-CA 126.972 2.225 . . . . 0.0 118.155 166.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.4 m 178.04 -31.68 0.01 OUTLIER 'General case' 1 N--CA 1.576 5.869 0 C-N-CA 130.139 3.376 . . . . 0.0 111.52 -173.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.267 31.0 mm -124.49 120.08 58.09 Favored 'Isoleucine or valine' 1 C--N 1.442 4.602 0 C-N-CA 126.792 2.037 . . . . 0.0 108.626 -177.012 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.472 HG22 ' HB1' ' A' ' 84' ' ' ALA . 33.2 t -121.44 121.63 65.13 Favored 'Isoleucine or valine' 0 CA--C 1.625 3.829 0 C-N-CA 127.585 2.354 . . . . 0.0 106.967 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.467 ' HB3' HG23 ' A' ' 11' ' ' THR 0.406 35.7 ptt180 -118.95 107.45 13.57 Favored 'General case' 1 N--CA 1.563 5.21 0 C-N-CA 126.424 1.89 . . . . 0.0 114.655 -176.579 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 pp -100.29 141.52 33.01 Favored 'General case' 0 N--CA 1.537 3.902 0 C-N-CA 127.97 2.508 . . . . 0.0 114.987 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -119.07 111.96 18.95 Favored 'General case' 1 C--O 1.308 4.177 0 C-N-CA 126.715 2.006 . . . . 0.0 110.959 177.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.254 33.8 m -105.97 159.43 6.03 Favored 'Isoleucine or valine' 2 N--CA 1.569 5.475 0 O-C-N 126.656 2.472 . . . . 0.0 115.089 -175.884 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 3.8 ppp? -125.47 117.57 23.93 Favored 'General case' 1 N--CA 1.557 4.899 0 C-N-CA 127.769 2.428 . . . . 0.0 114.261 -176.291 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.349 37.9 ptt180 . . . . . 1 N--CA 1.546 4.363 0 C-N-CA 126.362 1.865 . . . . 0.0 113.008 179.124 . . . . . . . . 2 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.5 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 60.2 m . . . . . 2 N--CA 1.548 4.446 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 2 C--N 1.438 4.446 0 C-N-CA 127.189 2.195 . . . . 0.0 109.704 -173.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 . . . . . 1 N--CA 1.542 4.168 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -104.38 141.81 35.69 Favored 'General case' 1 N--CA 1.539 4.008 0 C-N-CA 126.845 2.058 . . . . 0.0 112.57 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -127.37 133.6 50.02 Favored 'General case' 1 N--CA 1.544 4.241 0 C-N-CA 124.856 1.263 . . . . 0.0 111.092 -176.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.291 11.7 pt-20 -106.74 112.61 25.67 Favored 'General case' 0 C--N 1.421 3.697 0 C-N-CA 126.492 1.917 . . . . 0.0 112.323 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.11 141.46 25.36 Favored 'Isoleucine or valine' 2 N--CA 1.556 4.844 0 C-N-CA 124.93 1.292 . . . . 0.0 109.969 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -114.4 122.58 47.08 Favored 'General case' 0 N--CA 1.536 3.837 0 C-N-CA 126.471 1.908 . . . . 0.0 112.926 171.032 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 N--CA 1.523 3.178 0 C-N-CA 126.755 2.022 . . . . 0.0 112.057 175.825 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.359 0 N-CA-C 117.592 1.797 . . . . 0.0 117.592 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -155.81 165.19 37.26 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 127.568 2.347 . . . . 0.0 110.401 176.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.5 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 72.1 m -132.37 142.44 49.31 Favored 'General case' 1 C--N 1.451 5.018 0 C-N-CA 125.497 1.519 . . . . 0.0 110.812 171.336 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.549 2.2 pp -119.67 124.57 73.12 Favored 'Isoleucine or valine' 2 N--CA 1.581 6.116 0 N-CA-C 119.963 3.32 . . . . 0.0 119.963 -174.753 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.42 117.93 35.61 Favored 'General case' 1 C--N 1.433 4.232 0 CA-C-N 113.373 -1.74 . . . . 0.0 111.391 -177.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.94 159.56 32.69 Favored Glycine 0 N--CA 1.508 3.452 0 C-N-CA 125.633 1.587 . . . . 0.0 113.673 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.81 145.92 5.7 Favored Glycine 1 C--N 1.401 4.163 0 N-CA-C 118.969 2.348 . . . . 0.0 118.969 -172.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.306 7.1 p -100.49 -36.48 9.18 Favored 'General case' 1 N--CA 1.554 4.733 0 C-N-CA 125.765 1.626 . . . . 0.0 113.237 163.583 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.431 2.0 p30 -110.47 -29.03 8.26 Favored 'General case' 1 C--N 1.444 4.713 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 173.814 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 . . . . . 2 CA--C 1.654 4.977 0 C-N-CA 126.566 1.947 . . . . 0.0 112.449 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 1 N--CA 1.546 4.33 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.292 0.9 OUTLIER -90.93 124.3 43.44 Favored 'Isoleucine or valine' 3 N--CA 1.549 4.496 0 C-N-CA 125.392 1.477 . . . . 0.0 110.584 -174.007 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -121.41 153.27 38.06 Favored 'General case' 1 N--CA 1.544 4.268 0 C-N-CA 127.964 2.506 . . . . 0.0 111.987 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -87.97 144.25 9.59 Favored 'Isoleucine or valine' 2 C--N 1.449 4.918 0 C-N-CA 125.947 1.699 . . . . 0.0 109.104 169.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.45 11.1 t -147.88 -25.77 0.36 Allowed 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 126.632 1.973 . . . . 0.0 113.721 -179.594 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 9.7 tmtt? -125.04 124.09 41.21 Favored 'General case' 1 C--N 1.462 5.493 0 O-C-N 124.015 0.822 . . . . 0.0 111.238 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.605 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 43.6 mm -121.94 129.51 75.36 Favored 'Isoleucine or valine' 0 C--N 1.41 3.199 0 C-N-CA 127.083 2.153 . . . . 0.0 108.063 173.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.298 3.2 mp -84.31 129.17 59.04 Favored Pre-proline 1 CA--C 1.68 5.976 0 C-N-CA 126.29 1.836 . . . . 0.0 110.408 174.446 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.92 -21.84 73.43 Favored 'Trans proline' 3 C--N 1.54 10.638 0 C-N-CA 124.464 3.443 . . . . 0.0 117.756 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.58 40.5 1.65 Allowed Glycine 1 C--N 1.428 5.69 0 CA-C-O 118.172 -1.349 . . . . 0.0 115.81 177.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.15 -177.84 36.07 Favored Glycine 2 C--N 1.442 6.446 0 C-N-CA 125.335 1.445 . . . . 0.0 115.713 173.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.79 -35.16 33.46 Favored 'General case' 1 N--CA 1.545 4.303 0 C-N-CA 127.571 2.348 . . . . 0.0 116.332 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.65 -25.41 35.63 Favored 'General case' 2 N--CA 1.556 4.863 0 C-N-CA 126.998 2.119 . . . . 0.0 115.989 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.47 -45.04 11.5 Favored 'General case' 1 C--N 1.449 4.901 0 C-N-CA 127.675 2.39 . . . . 0.0 113.868 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -51.02 5.61 Favored 'General case' 1 C--N 1.448 4.879 0 C-N-CA 127.383 2.273 . . . . 0.0 114.64 178.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.77 -31.94 16.32 Favored 'General case' 1 C--N 1.456 5.23 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -175.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.3 -74.18 1.28 Allowed Glycine 2 C--N 1.463 7.613 0 CA-C-O 117.45 -1.75 . . . . 0.0 117.167 -173.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 161.64 -22.02 0.0 OUTLIER 'General case' 2 N--CA 1.628 8.433 0 C-N-CA 130.917 3.687 . . . . 0.0 113.621 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.67 127.45 32.8 Favored 'General case' 1 C--N 1.452 5.053 0 N-CA-C 117.738 2.495 . . . . 0.0 117.738 -163.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.26 158.64 19.47 Favored 'General case' 0 N--CA 1.533 3.689 0 C-N-CA 129.097 2.959 . . . . 0.0 111.01 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.558 HG11 HG12 ' A' ' 43' ' ' ILE 0.259 2.5 m -53.09 -28.49 14.47 Favored 'Isoleucine or valine' 1 N--CA 1.633 8.711 0 C-N-CA 128.003 2.521 . . . . 0.0 116.125 174.906 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -90.05 7.59 36.92 Favored 'General case' 1 CA--C 1.664 5.33 0 C-N-CA 128.959 2.904 . . . . 0.0 112.051 -177.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.48 -39.6 16.12 Favored 'General case' 2 C--N 1.487 6.586 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 177.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.26 22.9 t 45.41 119.3 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.761 0 C-N-CA 129.432 3.093 . . . . 0.0 115.855 178.865 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.502 HG22 HG23 ' A' ' 64' ' ' VAL . 5.7 mt -85.72 127.5 40.06 Favored 'Isoleucine or valine' 1 N--CA 1.565 5.298 0 C-N-CA 124.861 1.264 . . . . 0.0 110.306 -176.528 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.4 pt? -94.23 -43.13 8.59 Favored 'General case' 0 C--N 1.421 3.701 0 O-C-N 125.127 1.517 . . . . 0.0 112.924 169.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -133.21 127.11 33.05 Favored 'General case' 2 C--N 1.449 4.904 0 O-C-N 124.862 1.351 . . . . 0.0 113.356 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.718 ' O ' ' HB ' ' A' ' 67' ' ' VAL 0.313 3.5 p -120.8 125.74 74.42 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.083 0 CA-C-O 118.952 -0.547 . . . . 0.0 112.328 179.946 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.263 46.1 m-80 78.96 -5.21 2.03 Favored 'General case' 2 N--CA 1.623 8.18 0 C-N-CA 129.083 2.953 . . . . 0.0 114.191 -166.736 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.327 5.8 tp10 86.53 23.97 0.06 Allowed 'General case' 3 N--CA 1.591 6.607 0 C-N-CA 131.547 3.939 . . . . 0.0 108.837 -159.579 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.718 ' HB ' ' O ' ' A' ' 64' ' ' VAL . 1.2 t -97.57 145.75 8.83 Favored 'Isoleucine or valine' 1 C--N 1.446 4.785 0 C-N-CA 129.766 3.226 . . . . 0.0 110.522 -178.36 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.436 4.4 p-10 -82.61 93.79 7.4 Favored 'General case' 0 C--N 1.405 3.0 0 O-C-N 125.682 1.864 . . . . 0.0 114.941 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.46 26.2 m -90.49 -8.6 10.6 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.947 0 CA-C-N 113.374 -1.739 . . . . 0.0 115.666 176.361 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -46.46 -26.15 0.8 Allowed 'General case' 2 N--CA 1.596 6.832 0 C-N-CA 128.203 2.601 . . . . 0.0 117.18 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -152.29 80.11 1.24 Allowed 'General case' 1 C--N 1.456 5.206 0 C-N-CA 129.739 3.216 . . . . 0.0 108.823 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 1.565 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.273 19.2 m -143.83 162.2 15.78 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.699 0 C-N-CA 127.062 2.145 . . . . 0.0 110.295 178.013 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -77.4 164.59 25.34 Favored 'General case' 1 N--CA 1.576 5.835 0 C-N-CA 126.461 1.904 . . . . 0.0 111.626 167.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.34 9.2 p-80 -53.64 -52.38 60.1 Favored 'General case' 2 N--CA 1.593 6.714 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 176.627 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -58.97 -34.76 72.18 Favored 'General case' 2 N--CA 1.571 5.602 0 C-N-CA 127.101 2.16 . . . . 0.0 113.883 176.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.77 -22.88 62.33 Favored 'General case' 1 C--N 1.454 5.147 0 C-N-CA 128.682 2.793 . . . . 0.0 114.073 175.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -35.84 14.88 Favored 'General case' 1 C--N 1.461 5.43 0 C-N-CA 126.666 1.986 . . . . 0.0 112.292 174.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.4 t -70.69 -40.61 77.15 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.532 0 C-N-CA 127.816 2.446 . . . . 0.0 111.869 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.3 mt-10 -64.2 -16.67 62.44 Favored 'General case' 1 N--CA 1.597 6.881 0 C-N-CA 127.954 2.501 . . . . 0.0 115.042 177.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.74 -29.51 32.86 Favored 'General case' 1 CA--C 1.634 4.181 0 C-N-CA 126.764 2.025 . . . . 0.0 112.439 167.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.33 -32.91 14.81 Favored 'General case' 2 C--N 1.459 5.335 0 N-CA-C 116.242 1.942 . . . . 0.0 116.242 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -86.91 -39.8 15.44 Favored 'General case' 0 N--CA 1.533 3.705 0 C-N-CA 127.508 2.323 . . . . 0.0 113.895 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.273 40.7 mt-10 -91.05 -11.57 38.34 Favored 'General case' 2 N--CA 1.58 6.063 0 N-CA-C 119.886 3.291 . . . . 0.0 119.886 -175.817 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.99 -24.0 56.36 Favored 'General case' 3 N--CA 1.598 6.929 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.09 -34.59 5.24 Favored Glycine 1 C--N 1.423 5.383 0 N-CA-C 119.651 2.62 . . . . 0.0 119.651 164.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 m -172.06 -34.32 0.01 OUTLIER 'General case' 1 N--CA 1.565 5.31 0 C-N-CA 129.102 2.961 . . . . 0.0 111.621 -172.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.261 23.6 mm -124.73 125.26 69.62 Favored 'Isoleucine or valine' 1 C--N 1.442 4.621 0 C-N-CA 126.168 1.787 . . . . 0.0 109.33 -176.741 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.368 18.9 m -122.79 121.98 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.931 0 C-N-CA 127.475 2.31 . . . . 0.0 112.462 176.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.378 36.9 ptt180 -113.26 98.88 7.4 Favored 'General case' 1 N--CA 1.549 4.517 0 C-N-CA 126.075 1.75 . . . . 0.0 114.369 -178.561 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.34 137.28 32.8 Favored 'General case' 0 N--CA 1.527 3.389 0 C-N-CA 127.494 2.318 . . . . 0.0 113.637 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -117.87 112.26 20.12 Favored 'General case' 0 C--O 1.299 3.658 0 C-N-CA 126.443 1.897 . . . . 0.0 111.15 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.6 m -106.7 159.92 6.31 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.067 0 O-C-N 127.0 2.688 . . . . 0.0 115.466 -174.753 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 4.0 ppp? -123.16 116.62 23.74 Favored 'General case' 1 N--CA 1.566 5.333 0 C-N-CA 127.717 2.407 . . . . 0.0 114.08 -176.106 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 . . . . . 0 N--CA 1.533 3.684 0 C-N-CA 128.075 2.55 . . . . 0.0 111.313 179.43 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 1 CA--C 1.635 4.225 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 2 C--N 1.45 4.978 0 C-N-CA 126.368 1.867 . . . . 0.0 107.537 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.393 11.2 pt-20 . . . . . 1 N--CA 1.546 4.354 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 . . . . . . . . . 2 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.18 142.74 32.18 Favored 'General case' 0 N--CA 1.535 3.815 0 C-N-CA 126.614 1.966 . . . . 0.0 113.172 -176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -122.74 129.83 52.22 Favored 'General case' 1 N--CA 1.544 4.228 0 C-N-CA 125.465 1.506 . . . . 0.0 114.186 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.28 10.9 pt-20 -107.11 108.75 20.37 Favored 'General case' 0 C--N 1.421 3.684 0 C-N-CA 126.072 1.749 . . . . 0.0 111.841 174.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -116.54 133.72 62.27 Favored 'Isoleucine or valine' 2 N--CA 1.55 4.555 0 O-C-N 124.769 1.293 . . . . 0.0 111.179 -177.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.24 125.85 51.66 Favored 'General case' 1 N--CA 1.549 4.523 0 C-N-CA 127.89 2.476 . . . . 0.0 113.997 171.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 1 N--CA 1.54 4.06 0 C-N-CA 127.817 2.447 . . . . 0.0 112.065 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 115.961 1.144 . . . . 0.0 115.961 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -159.55 167.19 29.16 Favored 'General case' 1 CA--C 1.629 4.014 0 C-N-CA 129.571 3.148 . . . . 0.0 108.466 169.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.5 m -134.72 139.41 45.18 Favored 'General case' 1 C--N 1.455 5.18 0 CA-C-N 119.227 0.922 . . . . 0.0 111.297 166.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.492 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.447 2.0 pp -114.47 129.68 70.1 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.688 0 N-CA-C 118.829 2.899 . . . . 0.0 118.829 -172.877 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.72 118.04 36.03 Favored 'General case' 1 C--N 1.431 4.141 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.192 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.5 156.66 24.77 Favored Glycine 0 C--O 1.293 3.835 0 C-N-CA 125.896 1.712 . . . . 0.0 113.324 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.88 124.59 0.86 Allowed Glycine 1 C--N 1.42 5.211 0 N-CA-C 121.143 3.217 . . . . 0.0 121.143 -175.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.253 6.9 p -102.41 -34.34 9.2 Favored 'General case' 1 N--CA 1.548 4.443 0 O-C-N 126.356 1.856 . . . . 0.0 112.252 160.6 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -107.51 -36.2 6.54 Favored 'General case' 1 C--N 1.439 4.483 0 C-N-CA 125.73 1.612 . . . . 0.0 112.719 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.5 m120 . . . . . 2 C--N 1.447 4.824 0 C-N-CA 126.851 2.06 . . . . 0.0 113.697 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 p . . . . . 1 N--CA 1.556 4.836 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 1.619 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.313 0.8 OUTLIER -90.44 113.13 25.92 Favored 'Isoleucine or valine' 3 C--N 1.455 5.185 0 C-N-CA 125.53 1.532 . . . . 0.0 109.983 -177.646 . . . . . . . . 5 4 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -120.53 145.78 46.97 Favored 'General case' 0 N--CA 1.534 3.734 0 C-N-CA 129.165 2.986 . . . . 0.0 111.576 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mm -87.18 144.91 8.32 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.94 0 C-N-CA 126.148 1.779 . . . . 0.0 111.376 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.387 15.1 t -142.73 -33.38 0.46 Allowed 'General case' 1 N--CA 1.548 4.454 0 C-N-CA 126.528 1.931 . . . . 0.0 112.889 175.77 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.274 53.8 tptt -113.41 126.71 55.65 Favored 'General case' 1 C--N 1.459 5.341 0 O-C-N 124.442 1.089 . . . . 0.0 112.657 -179.05 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.628 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.272 37.9 mm -127.12 121.83 58.68 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.488 0 C-N-CA 127.329 2.252 . . . . 0.0 107.715 172.008 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.8 mp -79.09 134.0 60.25 Favored Pre-proline 2 CA--C 1.682 6.049 0 C-N-CA 126.523 1.929 . . . . 0.0 110.735 172.255 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.48 -20.48 60.85 Favored 'Trans proline' 3 C--N 1.535 10.352 0 C-N-CA 124.24 3.293 . . . . 0.0 117.731 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.71 43.23 1.31 Allowed Glycine 1 C--N 1.43 5.794 0 CA-C-O 118.178 -1.345 . . . . 0.0 116.308 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.46 -178.1 32.68 Favored Glycine 2 C--N 1.438 6.204 0 C-N-CA 125.168 1.365 . . . . 0.0 115.171 172.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.03 -37.53 28.97 Favored 'General case' 1 N--CA 1.54 4.071 0 C-N-CA 127.746 2.418 . . . . 0.0 115.503 -178.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.81 -22.59 39.88 Favored 'General case' 2 C--N 1.445 4.725 0 C-N-CA 126.807 2.043 . . . . 0.0 115.853 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.87 -42.06 13.53 Favored 'General case' 1 C--N 1.446 4.788 0 C-N-CA 127.121 2.168 . . . . 0.0 113.69 177.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -90.63 -55.32 3.62 Favored 'General case' 1 C--N 1.447 4.838 0 C-N-CA 127.106 2.162 . . . . 0.0 114.62 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.06 -32.25 15.96 Favored 'General case' 1 C--N 1.459 5.333 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -175.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.24 -47.31 4.72 Favored Glycine 2 C--N 1.443 6.499 0 N-CA-C 117.876 1.91 . . . . 0.0 117.876 -173.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.534 99.3 mtt180 87.05 52.13 0.01 OUTLIER 'General case' 2 N--CA 1.58 6.068 0 C-N-CA 130.357 3.463 . . . . 0.0 115.977 -178.36 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.89 127.05 55.31 Favored 'General case' 0 C--N 1.418 3.553 0 C-N-CA 127.944 2.497 . . . . 0.0 112.31 171.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -111.84 161.93 15.83 Favored 'General case' 0 N--CA 1.536 3.841 0 C-N-CA 128.392 2.677 . . . . 0.0 110.683 171.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.55 HG11 HG12 ' A' ' 43' ' ' ILE 0.277 2.9 m -52.82 -29.86 14.95 Favored 'Isoleucine or valine' 1 N--CA 1.63 8.558 0 C-N-CA 127.794 2.437 . . . . 0.0 116.174 175.284 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -90.43 7.96 36.11 Favored 'General case' 1 CA--C 1.668 5.505 0 C-N-CA 129.11 2.964 . . . . 0.0 112.046 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 1.9 m-20 -88.94 -36.06 16.11 Favored 'General case' 2 C--N 1.485 6.496 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 178.752 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.4 m 45.43 118.78 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.824 0 C-N-CA 128.559 2.744 . . . . 0.0 116.578 177.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mt -86.39 126.65 40.69 Favored 'Isoleucine or valine' 1 N--CA 1.561 5.123 0 C-N-CA 124.714 1.206 . . . . 0.0 110.216 -175.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.257 1.5 pt? -92.17 -44.6 8.7 Favored 'General case' 1 C--N 1.431 4.128 0 O-C-N 124.817 1.323 . . . . 0.0 112.434 170.764 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -131.79 134.25 45.62 Favored 'General case' 2 C--N 1.447 4.834 0 O-C-N 125.1 1.5 . . . . 0.0 113.201 -176.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.439 HG22 HG22 ' A' ' 69' ' ' VAL 0.297 14.3 t -116.36 137.28 50.63 Favored 'Isoleucine or valine' 1 N--CA 1.575 5.822 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.455 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.316 11.1 m120 76.0 -79.86 0.04 OUTLIER 'General case' 2 N--CA 1.586 6.372 0 C-N-CA 128.902 2.881 . . . . 0.0 111.602 -176.751 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -160.08 8.66 0.1 Allowed 'General case' 2 CA--C 1.637 4.297 1 C-N-CA 134.83 5.252 . . . . 0.0 106.813 170.804 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.369 25.1 m -103.43 155.25 5.5 Favored 'Isoleucine or valine' 1 C--N 1.46 5.37 0 C-N-CA 127.601 2.36 . . . . 0.0 115.319 -166.86 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.418 4.4 p30 -86.07 98.28 10.77 Favored 'General case' 0 C--N 1.412 3.291 0 C-N-CA 127.696 2.398 . . . . 0.0 114.504 -176.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.439 HG22 HG22 ' A' ' 64' ' ' VAL 0.392 19.1 m -91.41 -18.68 7.3 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.324 0 CA-C-N 112.649 -2.069 . . . . 0.0 114.631 176.228 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.306 16.9 ptm180 -43.46 -27.67 0.29 Allowed 'General case' 3 N--CA 1.586 6.372 0 C-N-CA 128.69 2.796 . . . . 0.0 117.548 -178.404 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -140.84 75.48 1.51 Allowed 'General case' 1 C--N 1.436 4.327 0 C-N-CA 129.489 3.116 . . . . 0.0 109.695 174.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 1.54 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.277 18.3 m -142.75 166.85 15.06 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.419 0 C-N-CA 126.825 2.05 . . . . 0.0 109.07 174.903 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 p -80.92 164.94 22.23 Favored 'General case' 1 N--CA 1.564 5.258 0 C-N-CA 127.725 2.41 . . . . 0.0 110.293 168.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.281 6.1 p80 -52.7 -49.66 64.91 Favored 'General case' 2 N--CA 1.601 7.118 0 C-N-CA 125.235 1.414 . . . . 0.0 113.193 176.681 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.9 p -55.64 -37.21 67.93 Favored 'General case' 2 C--N 1.44 4.513 0 C-N-CA 128.199 2.6 . . . . 0.0 114.832 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.74 -20.36 53.6 Favored 'General case' 1 C--N 1.464 5.583 0 C-N-CA 127.488 2.315 . . . . 0.0 113.277 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.67 -34.31 18.48 Favored 'General case' 1 C--N 1.467 5.71 0 C-N-CA 126.507 1.923 . . . . 0.0 112.693 172.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -72.69 -39.85 60.92 Favored 'Isoleucine or valine' 3 N--CA 1.595 6.781 0 C-N-CA 127.449 2.3 . . . . 0.0 111.245 176.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.7 mt-10 -62.69 -19.46 63.9 Favored 'General case' 2 N--CA 1.596 6.869 0 C-N-CA 128.286 2.634 . . . . 0.0 115.367 176.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.96 -28.62 39.59 Favored 'General case' 1 CA--C 1.632 4.1 0 C-N-CA 126.93 2.092 . . . . 0.0 112.026 168.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.67 -28.48 16.64 Favored 'General case' 2 C--N 1.457 5.267 0 C-N-CA 127.223 2.209 . . . . 0.0 116.482 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -90.45 -37.12 14.15 Favored 'General case' 1 N--CA 1.542 4.15 0 C-N-CA 127.557 2.343 . . . . 0.0 114.247 175.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.283 39.7 mt-10 -91.18 -15.73 28.85 Favored 'General case' 2 N--CA 1.591 6.602 0 N-CA-C 120.488 3.514 . . . . 0.0 120.488 -177.666 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.24 -24.43 18.58 Favored 'General case' 3 N--CA 1.605 7.301 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.24 -35.36 4.8 Favored Glycine 1 C--N 1.424 5.43 0 N-CA-C 119.245 2.458 . . . . 0.0 119.245 166.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.3 p -171.84 -34.31 0.02 OUTLIER 'General case' 1 N--CA 1.56 5.031 0 C-N-CA 128.03 2.532 . . . . 0.0 113.243 -174.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.298 42.2 mm -128.53 121.26 54.75 Favored 'Isoleucine or valine' 1 C--N 1.434 4.255 0 C-N-CA 126.177 1.791 . . . . 0.0 108.65 -176.257 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.13 122.15 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.041 0 C-N-CA 127.892 2.477 . . . . 0.0 111.955 -175.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -109.55 135.35 50.67 Favored 'General case' 1 N--CA 1.54 4.053 0 C-N-CA 126.41 1.884 . . . . 0.0 111.496 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -122.77 138.13 54.72 Favored 'General case' 0 N--CA 1.528 3.447 0 C-N-CA 128.106 2.563 . . . . 0.0 112.467 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -118.95 110.74 17.5 Favored 'General case' 0 C--O 1.304 3.955 0 C-N-CA 126.406 1.882 . . . . 0.0 110.58 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.264 23.2 m -105.78 159.9 5.79 Favored 'Isoleucine or valine' 2 N--CA 1.574 5.744 0 O-C-N 126.657 2.473 . . . . 0.0 115.088 -175.178 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.276 24.5 ptt? -128.59 121.89 29.73 Favored 'General case' 2 N--CA 1.578 5.939 0 C-N-CA 127.543 2.337 . . . . 0.0 114.686 -174.679 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 . . . . . 1 N--CA 1.557 4.891 0 C-N-CA 127.462 2.305 . . . . 0.0 110.989 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.492 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 60.2 m . . . . . 1 N--CA 1.539 4.011 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.253 2.4 t . . . . . 1 C--N 1.444 4.702 0 C-N-CA 125.581 1.552 . . . . 0.0 108.348 -177.908 . . . . . . . . 2 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.43 10.9 pt-20 . . . . . 1 N--CA 1.55 4.565 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 . . . . . . . . . 2 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -110.59 145.14 38.36 Favored 'General case' 1 N--CA 1.544 4.271 0 C-N-CA 126.51 1.924 . . . . 0.0 113.159 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -126.27 132.37 51.69 Favored 'General case' 1 N--CA 1.552 4.629 0 C-N-CA 125.728 1.611 . . . . 0.0 114.112 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.297 11.9 pt-20 -108.56 108.98 20.1 Favored 'General case' 1 C--N 1.428 4.001 0 C-N-CA 125.744 1.617 . . . . 0.0 111.904 172.813 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -113.93 145.36 19.88 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.262 0 C-N-CA 125.018 1.327 . . . . 0.0 111.088 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.41 127.23 55.61 Favored 'General case' 2 N--CA 1.554 4.739 0 C-N-CA 127.252 2.221 . . . . 0.0 113.75 172.813 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.534 3.768 0 C-N-CA 127.333 2.253 . . . . 0.0 113.01 175.699 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.216 0 N-CA-C 117.858 1.903 . . . . 0.0 117.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -160.15 172.21 17.86 Favored 'General case' 3 CA--C 1.635 4.236 0 C-N-CA 128.506 2.723 . . . . 0.0 109.005 168.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 70.0 m -137.01 142.4 42.51 Favored 'General case' 1 C--N 1.441 4.572 0 C-N-CA 125.534 1.533 . . . . 0.0 109.734 167.477 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.476 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.54 2.0 pp -118.35 126.12 74.82 Favored 'Isoleucine or valine' 2 N--CA 1.566 5.345 0 N-CA-C 119.56 3.171 . . . . 0.0 119.56 -175.286 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.82 117.52 34.53 Favored 'General case' 1 C--N 1.434 4.269 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.826 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.63 164.95 28.43 Favored Glycine 0 N--CA 1.512 3.74 0 C-N-CA 125.77 1.652 . . . . 0.0 113.702 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.44 134.38 1.95 Allowed Glycine 1 C--N 1.411 4.704 0 N-CA-C 119.576 2.59 . . . . 0.0 119.576 -176.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.297 12.3 p -108.88 -39.32 5.36 Favored 'General case' 1 N--CA 1.554 4.742 0 C-N-CA 125.382 1.473 . . . . 0.0 113.36 160.286 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.47 -36.69 7.46 Favored 'General case' 2 C--N 1.434 4.269 0 C-N-CA 125.398 1.479 . . . . 0.0 113.427 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 . . . . . 2 CA--C 1.67 5.586 0 C-N-CA 126.988 2.115 . . . . 0.0 111.038 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.9 p . . . . . 1 N--CA 1.547 4.413 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 1.566 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.268 1.2 mm -92.38 127.35 44.63 Favored 'Isoleucine or valine' 3 C--N 1.454 5.151 0 C-N-CA 125.803 1.641 . . . . 0.0 109.429 -179.755 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -126.01 153.9 43.72 Favored 'General case' 1 N--CA 1.545 4.278 0 C-N-CA 127.419 2.288 . . . . 0.0 111.912 -173.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -90.33 141.81 13.84 Favored 'Isoleucine or valine' 1 C--N 1.453 5.091 0 C-N-CA 125.973 1.709 . . . . 0.0 109.071 171.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.321 2.2 p -145.05 -26.73 0.48 Allowed 'General case' 1 N--CA 1.556 4.839 0 C-N-CA 127.344 2.257 . . . . 0.0 113.973 -176.64 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 11.7 tmtt? -126.83 127.9 45.71 Favored 'General case' 1 C--N 1.469 5.793 0 C-N-CA 123.431 0.692 . . . . 0.0 110.753 178.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.621 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.277 42.1 mm -124.44 129.82 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.158 0 C-N-CA 127.126 2.171 . . . . 0.0 108.554 175.31 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.307 4.0 mp -82.97 130.38 57.81 Favored Pre-proline 2 CA--C 1.681 5.985 0 C-N-CA 125.611 1.564 . . . . 0.0 110.733 172.875 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.36 -22.79 65.91 Favored 'Trans proline' 3 C--N 1.538 10.521 0 C-N-CA 124.396 3.398 . . . . 0.0 117.483 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.27 44.58 1.2 Allowed Glycine 1 C--N 1.429 5.706 0 C-N-CA 125.001 1.286 . . . . 0.0 115.354 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.34 -177.63 30.11 Favored Glycine 2 C--N 1.436 6.13 0 C-N-CA 125.508 1.528 . . . . 0.0 115.353 174.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.73 -35.38 33.48 Favored 'General case' 1 N--CA 1.54 4.047 0 C-N-CA 127.69 2.396 . . . . 0.0 115.744 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.14 -26.17 36.31 Favored 'General case' 2 C--N 1.445 4.739 0 C-N-CA 126.703 2.001 . . . . 0.0 116.239 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 -42.45 16.38 Favored 'General case' 1 C--N 1.444 4.695 0 C-N-CA 127.228 2.211 . . . . 0.0 113.481 177.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -90.95 -56.99 2.96 Favored 'General case' 1 C--N 1.448 4.889 0 C-N-CA 127.297 2.239 . . . . 0.0 115.086 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.89 -33.59 15.57 Favored 'General case' 1 C--N 1.46 5.389 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 -172.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.65 -49.84 4.2 Favored Glycine 2 C--N 1.443 6.501 0 N-CA-C 117.437 1.735 . . . . 0.0 117.437 -173.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.581 0.3 OUTLIER 90.26 53.84 0.01 OUTLIER 'General case' 2 N--CA 1.568 5.461 0 C-N-CA 130.551 3.541 . . . . 0.0 116.359 -178.149 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.01 131.13 55.31 Favored 'General case' 0 C--N 1.419 3.593 0 C-N-CA 127.856 2.462 . . . . 0.0 111.175 170.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.14 153.97 24.97 Favored 'General case' 0 N--CA 1.525 3.305 0 C-N-CA 127.532 2.333 . . . . 0.0 110.328 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG22 HG12 ' A' ' 43' ' ' ILE . 6.3 p -56.39 -27.95 25.48 Favored 'Isoleucine or valine' 2 CA--C 1.655 5.001 0 C-N-CA 128.847 2.859 . . . . 0.0 115.79 178.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -91.91 9.22 33.89 Favored 'General case' 1 CA--C 1.673 5.71 0 C-N-CA 128.937 2.895 . . . . 0.0 112.419 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.257 1.4 m-20 -87.29 -31.08 20.41 Favored 'General case' 2 C--N 1.487 6.549 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -179.769 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.5 t 44.56 122.84 0.0 OUTLIER 'General case' 2 N--CA 1.592 6.641 0 C-N-CA 129.536 3.134 . . . . 0.0 116.113 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.47 HG23 HG12 ' A' ' 64' ' ' VAL . 15.6 mt -84.79 130.55 35.85 Favored 'Isoleucine or valine' 2 N--CA 1.559 4.976 0 C-N-CA 125.029 1.332 . . . . 0.0 110.55 -176.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.256 1.5 pt? -96.02 -46.03 6.67 Favored 'General case' 1 C--N 1.43 4.068 0 O-C-N 125.071 1.482 . . . . 0.0 112.082 168.109 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -132.99 135.94 45.77 Favored 'General case' 1 C--N 1.45 4.978 0 O-C-N 125.05 1.469 . . . . 0.0 113.273 -176.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.47 HG12 HG23 ' A' ' 61' ' ' ILE 0.514 0.5 OUTLIER -119.37 142.07 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.769 0 C-N-CA 124.438 1.095 . . . . 0.0 112.957 173.646 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.306 86.1 m-20 73.6 -81.2 0.03 OUTLIER 'General case' 3 N--CA 1.57 5.546 0 C-N-CA 128.822 2.849 . . . . 0.0 111.045 -176.547 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -156.4 9.01 0.23 Allowed 'General case' 2 CA--C 1.638 4.349 1 C-N-CA 133.812 4.845 . . . . 0.0 107.231 170.089 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.377 28.3 m -104.89 154.04 6.49 Favored 'Isoleucine or valine' 1 C--N 1.454 5.147 0 C-N-CA 128.407 2.683 . . . . 0.0 115.614 -166.637 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -89.26 110.58 21.34 Favored 'General case' 0 C--N 1.415 3.448 0 CA-C-N 111.272 -2.694 . . . . 0.0 111.397 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.499 20.2 m -103.06 -16.17 7.64 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.393 0 CA-C-N 111.467 -2.606 . . . . 0.0 116.263 176.625 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.38 39.0 ptt180 -50.89 -19.24 0.94 Allowed 'General case' 2 N--CA 1.586 6.347 0 N-CA-C 118.689 2.848 . . . . 0.0 118.689 -178.797 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -147.17 73.53 1.3 Allowed 'General case' 1 C--N 1.435 4.319 0 C-N-CA 128.219 2.608 . . . . 0.0 107.55 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 1.559 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.288 15.6 m -142.11 162.94 19.34 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.692 0 C-N-CA 127.355 2.262 . . . . 0.0 110.792 177.846 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 p -79.13 163.81 24.77 Favored 'General case' 1 N--CA 1.571 5.586 0 C-N-CA 126.789 2.036 . . . . 0.0 111.566 166.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.282 3.3 p80 -54.66 -50.67 67.64 Favored 'General case' 2 N--CA 1.597 6.902 0 C-N-CA 125.824 1.649 . . . . 0.0 114.488 176.889 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.0 m -58.73 -35.56 72.9 Favored 'General case' 2 N--CA 1.565 5.284 0 C-N-CA 126.95 2.1 . . . . 0.0 113.58 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.08 61.86 Favored 'General case' 1 C--N 1.456 5.213 0 C-N-CA 128.706 2.803 . . . . 0.0 114.375 174.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.04 -29.64 18.26 Favored 'General case' 1 C--N 1.461 5.446 0 C-N-CA 126.711 2.004 . . . . 0.0 112.994 175.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.4 t -75.25 -41.58 43.9 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.843 0 C-N-CA 127.776 2.431 . . . . 0.0 110.162 172.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.85 -23.92 66.58 Favored 'General case' 2 N--CA 1.596 6.859 0 C-N-CA 128.898 2.879 . . . . 0.0 115.612 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.96 -28.57 61.56 Favored 'General case' 0 C--N 1.426 3.909 0 C-N-CA 127.089 2.155 . . . . 0.0 111.823 168.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' HA ' HG13 ' A' ' 88' ' ' VAL 0.254 12.0 mt -93.01 -34.03 13.89 Favored 'General case' 1 C--N 1.453 5.099 0 C-N-CA 127.263 2.225 . . . . 0.0 115.758 179.624 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -83.65 -36.2 24.0 Favored 'General case' 1 N--CA 1.546 4.36 0 C-N-CA 128.115 2.566 . . . . 0.0 113.203 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.267 40.6 mt-10 -87.93 -18.99 27.92 Favored 'General case' 2 N--CA 1.592 6.66 0 N-CA-C 119.601 3.185 . . . . 0.0 119.601 -177.537 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.47 -23.15 62.49 Favored 'General case' 3 N--CA 1.59 6.545 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.9 -34.91 5.38 Favored Glycine 1 C--N 1.425 5.49 0 N-CA-C 119.979 2.751 . . . . 0.0 119.979 165.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.5 t -172.59 -30.55 0.01 OUTLIER 'General case' 1 N--CA 1.567 5.388 0 C-N-CA 128.193 2.597 . . . . 0.0 111.147 -173.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.274 24.7 mm -124.25 124.26 68.26 Favored 'Isoleucine or valine' 1 C--N 1.439 4.466 0 C-N-CA 125.61 1.564 . . . . 0.0 109.578 -178.639 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.443 HG13 ' HA ' ' A' ' 81' ' ' LEU 0.378 19.7 m -125.12 122.34 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.855 0 C-N-CA 127.666 2.387 . . . . 0.0 112.8 178.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.433 33.8 ptt180 -114.68 105.78 13.45 Favored 'General case' 1 N--CA 1.552 4.673 0 C-N-CA 126.201 1.801 . . . . 0.0 115.157 -177.578 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.26 137.66 35.01 Favored 'General case' 0 N--CA 1.531 3.61 0 C-N-CA 128.2 2.6 . . . . 0.0 114.543 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -117.38 110.88 18.58 Favored 'General case' 1 C--O 1.312 4.388 0 C-N-CA 126.372 1.869 . . . . 0.0 111.003 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 27.2 m -105.83 159.77 5.86 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.449 0 O-C-N 127.001 2.688 . . . . 0.0 114.908 -176.699 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.286 23.7 ptm -127.0 119.63 27.11 Favored 'General case' 1 N--CA 1.565 5.32 0 C-N-CA 127.817 2.447 . . . . 0.0 114.51 -175.464 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 . . . . . 0 C--N 1.417 3.521 0 C-N-CA 127.25 2.22 . . . . 0.0 107.986 176.872 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.476 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 55.1 m . . . . . 2 CA--C 1.65 4.817 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 N--CA 1.555 4.817 0 C-N-CA 126.965 2.106 . . . . 0.0 109.378 -173.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 1 N--CA 1.55 4.541 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -107.07 144.55 33.59 Favored 'General case' 1 N--CA 1.548 4.448 0 C-N-CA 126.121 1.769 . . . . 0.0 113.237 -176.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -128.58 132.81 48.23 Favored 'General case' 1 C--N 1.437 4.384 0 C-N-CA 124.87 1.268 . . . . 0.0 110.892 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.292 11.6 pt-20 -106.7 113.44 26.94 Favored 'General case' 0 C--N 1.419 3.608 0 C-N-CA 126.469 1.908 . . . . 0.0 112.648 176.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -112.8 139.48 37.63 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.589 0 C-N-CA 124.738 1.215 . . . . 0.0 108.921 -179.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.471 HG22 ' HB3' ' A' ' 89' ' ' ARG . 1.9 m -120.21 121.55 38.99 Favored 'General case' 0 N--CA 1.529 3.524 0 C-N-CA 125.662 1.585 . . . . 0.0 108.704 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.518 2.941 0 C-N-CA 127.302 2.241 . . . . 0.0 112.417 178.71 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.909 0 CA-C-O 118.929 -0.929 . . . . 0.0 113.947 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -158.57 168.43 26.92 Favored 'General case' 1 C--N 1.452 5.045 0 C-N-CA 128.057 2.543 . . . . 0.0 109.882 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -135.42 141.36 45.43 Favored 'General case' 1 C--N 1.452 5.024 0 C-N-CA 124.906 1.282 . . . . 0.0 110.55 168.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.469 2.4 pp -117.04 126.23 74.33 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.412 0 N-CA-C 119.133 3.012 . . . . 0.0 119.133 -173.302 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.17 117.52 34.96 Favored 'General case' 1 C--N 1.432 4.162 0 CA-C-N 113.281 -1.782 . . . . 0.0 110.7 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.07 158.47 28.38 Favored Glycine 1 N--CA 1.519 4.19 0 C-N-CA 125.682 1.61 . . . . 0.0 113.432 -175.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.97 140.24 3.4 Favored Glycine 1 C--N 1.41 4.68 0 N-CA-C 119.667 2.627 . . . . 0.0 119.667 -173.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.278 5.5 p -100.62 -40.13 7.55 Favored 'General case' 1 N--CA 1.551 4.612 0 C-N-CA 126.004 1.722 . . . . 0.0 112.782 162.763 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.422 2.0 p30 -107.14 -28.33 10.03 Favored 'General case' 1 C--N 1.443 4.669 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 174.188 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 . . . . . 2 CA--C 1.653 4.932 0 C-N-CA 126.52 1.928 . . . . 0.0 112.853 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.2 p . . . . . 1 N--CA 1.556 4.839 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.286 1.0 OUTLIER -95.18 108.73 21.31 Favored 'Isoleucine or valine' 3 C--N 1.444 4.714 0 C-N-CA 125.785 1.634 . . . . 0.0 109.403 -176.789 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -114.16 148.78 36.69 Favored 'General case' 0 N--CA 1.532 3.664 0 C-N-CA 129.097 2.959 . . . . 0.0 111.646 -170.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -85.88 142.63 12.89 Favored 'Isoleucine or valine' 2 C--N 1.438 4.425 0 C-N-CA 126.455 1.902 . . . . 0.0 110.376 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.3 m -138.82 -39.86 0.5 Allowed 'General case' 0 N--CA 1.529 3.488 0 C-N-CA 127.468 2.307 . . . . 0.0 109.79 -170.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -126.18 130.87 51.84 Favored 'General case' 1 C--N 1.459 5.347 0 O-C-N 124.292 0.995 . . . . 0.0 111.13 -175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.63 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 46.7 mm -124.52 127.16 72.79 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.27 0 C-N-CA 126.723 2.009 . . . . 0.0 108.515 174.332 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.31 3.3 mp -81.47 130.46 61.85 Favored Pre-proline 2 CA--C 1.68 5.961 0 C-N-CA 126.353 1.861 . . . . 0.0 111.307 173.567 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.56 -22.8 64.71 Favored 'Trans proline' 3 C--N 1.54 10.627 0 C-N-CA 124.3 3.333 . . . . 0.0 117.657 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.94 39.3 1.84 Allowed Glycine 1 C--N 1.428 5.691 0 CA-C-O 118.15 -1.361 . . . . 0.0 115.642 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.1 -177.36 40.62 Favored Glycine 2 C--N 1.442 6.457 0 C-N-CA 125.595 1.569 . . . . 0.0 116.458 175.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.62 -39.28 27.74 Favored 'General case' 0 N--CA 1.535 3.823 0 C-N-CA 129.312 3.045 . . . . 0.0 115.026 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.7 -25.41 35.51 Favored 'General case' 2 C--N 1.447 4.848 0 C-N-CA 126.951 2.1 . . . . 0.0 116.141 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.82 -41.52 18.97 Favored 'General case' 1 C--N 1.446 4.761 0 C-N-CA 127.127 2.171 . . . . 0.0 113.655 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -90.94 -56.35 3.21 Favored 'General case' 1 C--N 1.452 5.064 0 C-N-CA 127.187 2.195 . . . . 0.0 114.953 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.1 -33.26 15.54 Favored 'General case' 2 C--N 1.46 5.388 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 -173.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.41 -48.01 4.69 Favored Glycine 2 C--N 1.438 6.242 0 N-CA-C 117.771 1.868 . . . . 0.0 117.771 -173.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.526 98.0 mtt180 89.75 53.54 0.01 OUTLIER 'General case' 2 N--CA 1.582 6.144 0 C-N-CA 130.567 3.547 . . . . 0.0 116.012 -178.793 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -111.43 132.09 54.72 Favored 'General case' 0 C--N 1.421 3.692 0 C-N-CA 127.121 2.168 . . . . 0.0 112.377 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.57 153.72 25.86 Favored 'General case' 0 N--CA 1.526 3.355 0 C-N-CA 128.095 2.558 . . . . 0.0 110.2 169.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.509 HG22 HG12 ' A' ' 43' ' ' ILE . 3.3 p -56.89 -25.48 22.23 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.189 0 C-N-CA 128.432 2.693 . . . . 0.0 116.097 -179.025 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.93 8.82 35.68 Favored 'General case' 1 CA--C 1.666 5.404 0 C-N-CA 128.879 2.872 . . . . 0.0 112.788 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.1 -32.87 24.51 Favored 'General case' 2 C--N 1.486 6.543 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t 45.78 121.89 0.0 OUTLIER 'General case' 2 N--CA 1.598 6.962 0 C-N-CA 129.662 3.185 . . . . 0.0 115.865 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 mt -84.77 130.91 35.24 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.243 0 C-N-CA 125.283 1.433 . . . . 0.0 110.829 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.263 1.5 pt? -97.56 -45.45 6.4 Favored 'General case' 0 C--N 1.422 3.744 0 CA-C-N 114.366 -1.288 . . . . 0.0 112.279 167.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -132.22 134.57 45.49 Favored 'General case' 1 C--N 1.448 4.85 0 O-C-N 125.01 1.444 . . . . 0.0 113.084 -176.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.421 0.0 OUTLIER -120.35 134.63 63.21 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.428 0 C-N-CA 124.801 1.24 . . . . 0.0 111.255 173.819 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 75.31 -10.22 1.27 Allowed 'General case' 2 N--CA 1.606 7.374 0 C-N-CA 129.013 2.925 . . . . 0.0 114.536 -176.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.416 46.8 mt-10 95.83 6.62 0.03 OUTLIER 'General case' 3 N--CA 1.58 6.041 1 C-N-CA 132.039 4.135 . . . . 0.0 111.661 -159.299 . . . . . . . . 4 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.398 30.1 m -94.62 153.38 3.47 Favored 'Isoleucine or valine' 1 C--N 1.467 5.675 0 C-N-CA 127.381 2.272 . . . . 0.0 113.842 178.382 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.444 4.4 p-10 -83.62 101.81 11.75 Favored 'General case' 0 C--N 1.41 3.208 0 C-N-CA 127.264 2.226 . . . . 0.0 115.762 -172.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.456 25.7 m -100.55 -3.77 9.39 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.315 0 CA-C-N 112.611 -2.086 . . . . 0.0 115.312 175.678 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.297 38.3 ptt180 -47.48 -27.55 1.8 Allowed 'General case' 2 N--CA 1.58 6.067 0 C-N-CA 128.762 2.825 . . . . 0.0 117.744 179.149 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -151.02 80.11 1.32 Allowed 'General case' 1 C--N 1.442 4.593 0 C-N-CA 129.854 3.261 . . . . 0.0 108.69 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 18.7 m -142.98 162.37 17.43 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.642 0 C-N-CA 126.852 2.061 . . . . 0.0 110.579 178.105 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.1 164.47 25.66 Favored 'General case' 1 N--CA 1.57 5.569 0 C-N-CA 126.606 1.962 . . . . 0.0 112.217 167.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.271 6.7 p80 -51.27 -54.06 29.56 Favored 'General case' 2 N--CA 1.596 6.868 0 C-N-CA 126.441 1.896 . . . . 0.0 114.253 176.178 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.9 m -60.22 -36.64 78.16 Favored 'General case' 2 N--CA 1.565 5.302 0 C-N-CA 126.816 2.046 . . . . 0.0 113.494 177.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.54 -22.7 63.54 Favored 'General case' 1 C--N 1.455 5.194 0 C-N-CA 128.639 2.776 . . . . 0.0 114.266 174.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -33.98 15.76 Favored 'General case' 1 C--N 1.463 5.536 0 C-N-CA 126.648 1.979 . . . . 0.0 112.727 175.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.0 t -73.2 -41.91 58.31 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.564 0 C-N-CA 127.536 2.335 . . . . 0.0 111.225 176.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -57.78 -30.42 65.64 Favored 'General case' 2 N--CA 1.562 5.15 0 C-N-CA 128.874 2.87 . . . . 0.0 114.812 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.67 -29.11 67.51 Favored 'General case' 1 C--N 1.449 4.905 0 C-N-CA 127.428 2.291 . . . . 0.0 113.092 171.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.01 -29.57 16.53 Favored 'General case' 2 C--N 1.444 4.706 0 C-N-CA 127.375 2.27 . . . . 0.0 114.003 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -85.11 -28.32 25.66 Favored 'General case' 0 C--N 1.424 3.824 0 C-N-CA 127.589 2.356 . . . . 0.0 113.979 174.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.409 9.8 pt-20 -73.81 -44.08 56.89 Favored 'General case' 2 N--CA 1.583 6.194 0 N-CA-C 119.804 3.261 . . . . 0.0 119.804 178.047 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.33 -21.64 9.96 Favored 'General case' 2 C--N 1.45 4.971 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 -172.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.63 -34.77 4.2 Favored Glycine 1 C--N 1.42 5.201 0 N-CA-C 120.592 2.997 . . . . 0.0 120.592 167.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -162.05 -32.7 0.04 OUTLIER 'General case' 1 N--CA 1.544 4.246 0 C-N-CA 126.843 2.057 . . . . 0.0 113.596 -169.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 1.601 ' CA ' ' CB ' ' A' ' 87' ' ' ILE 0.287 45.0 mm -130.36 108.76 16.21 Favored 'Isoleucine or valine' 0 C--N 1.426 3.917 0 C-N-CA 126.664 1.986 . . . . 0.0 108.94 -175.047 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.258 0.0 OUTLIER -113.79 118.94 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.474 0 O-C-N 125.774 1.921 . . . . 0.0 112.422 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.471 ' HB3' HG22 ' A' ' 11' ' ' THR 0.423 37.6 ptt180 -111.42 99.93 8.61 Favored 'General case' 1 N--CA 1.558 4.97 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -176.4 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.94 139.35 30.62 Favored 'General case' 0 N--CA 1.53 3.559 0 C-N-CA 128.092 2.557 . . . . 0.0 113.934 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -119.91 112.32 19.05 Favored 'General case' 1 C--O 1.315 4.518 0 C-N-CA 126.802 2.041 . . . . 0.0 110.75 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.277 33.7 m -106.88 158.7 6.79 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.962 0 O-C-N 127.014 2.696 . . . . 0.0 115.299 -175.371 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.314 25.4 ptt? -124.76 116.94 23.11 Favored 'General case' 1 N--CA 1.562 5.136 0 C-N-CA 127.87 2.468 . . . . 0.0 114.625 -175.117 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 . . . . . 0 N--CA 1.522 3.164 0 C-N-CA 128.594 2.758 . . . . 0.0 110.48 177.093 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.425 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 66.3 m . . . . . 2 N--CA 1.55 4.562 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 1.56 ' CA ' ' CB ' ' B' ' 9' ' ' VAL 0.251 3.1 t . . . . . 2 C--N 1.446 4.8 0 C-N-CA 126.006 1.722 . . . . 0.0 107.931 -176.708 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.338 10.6 pt-20 . . . . . 1 N--CA 1.55 4.534 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 . . . . . . . . . 2 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -102.05 143.16 32.25 Favored 'General case' 1 N--CA 1.551 4.593 0 C-N-CA 125.864 1.666 . . . . 0.0 113.098 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.02 132.57 50.72 Favored 'General case' 1 C--N 1.435 4.308 0 C-N-CA 124.56 1.144 . . . . 0.0 111.003 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -105.54 114.18 28.2 Favored 'General case' 0 C--N 1.42 3.639 0 C-N-CA 126.566 1.946 . . . . 0.0 112.815 176.164 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -112.83 138.92 40.42 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.633 0 C-N-CA 124.805 1.242 . . . . 0.0 108.937 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 89' ' ' ARG . 1.5 m -118.71 120.09 36.37 Favored 'General case' 0 N--CA 1.53 3.549 0 C-N-CA 125.506 1.522 . . . . 0.0 108.957 175.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.1 mt . . . . . 0 N--CA 1.524 3.241 0 C-N-CA 127.366 2.266 . . . . 0.0 112.421 178.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.033 0 CA-C-O 119.282 -0.732 . . . . 0.0 113.945 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -156.73 166.37 33.57 Favored 'General case' 1 C--N 1.44 4.525 0 C-N-CA 129.207 3.003 . . . . 0.0 109.022 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.482 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 73.7 m -132.68 145.04 50.73 Favored 'General case' 1 C--N 1.441 4.568 0 C-N-CA 125.175 1.39 . . . . 0.0 110.705 169.47 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.528 2.2 pp -121.95 127.14 75.3 Favored 'Isoleucine or valine' 2 N--CA 1.579 6.015 0 N-CA-C 119.359 3.096 . . . . 0.0 119.359 -175.475 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.9 117.99 35.41 Favored 'General case' 1 C--N 1.429 4.026 0 CA-C-N 113.782 -1.553 . . . . 0.0 111.525 -177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.8 157.77 26.28 Favored Glycine 0 N--CA 1.512 3.754 0 C-N-CA 125.564 1.554 . . . . 0.0 113.713 -175.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.09 153.8 10.53 Favored Glycine 2 N--CA 1.518 4.122 0 N-CA-C 117.689 1.836 . . . . 0.0 117.689 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 11.5 p -106.06 -44.78 4.5 Favored 'General case' 1 N--CA 1.56 5.041 0 C-N-CA 126.194 1.798 . . . . 0.0 113.014 166.506 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -102.24 -32.36 10.1 Favored 'General case' 1 C--N 1.431 4.134 0 C-N-CA 126.486 1.915 . . . . 0.0 113.133 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 . . . . . 2 CA--C 1.653 4.927 0 C-N-CA 126.902 2.081 . . . . 0.0 111.413 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.9 p . . . . . 1 N--CA 1.553 4.721 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 1.552 ' CB ' ' CA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -97.06 133.36 38.91 Favored 'Isoleucine or valine' 3 C--N 1.448 4.869 0 C-N-CA 126.474 1.91 . . . . 0.0 109.555 -179.052 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -129.22 156.51 43.84 Favored 'General case' 1 N--CA 1.552 4.664 0 C-N-CA 127.448 2.299 . . . . 0.0 112.195 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -89.03 144.35 9.28 Favored 'Isoleucine or valine' 2 C--N 1.458 5.3 0 C-N-CA 126.1 1.76 . . . . 0.0 109.067 168.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.327 11.5 p -147.36 -25.54 0.38 Allowed 'General case' 1 N--CA 1.556 4.875 0 C-N-CA 127.375 2.27 . . . . 0.0 113.551 -179.168 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.2 tmtm? -126.79 126.88 44.14 Favored 'General case' 1 C--N 1.477 6.117 0 C-N-CA 123.116 0.567 . . . . 0.0 111.277 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.598 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.275 43.5 mm -123.29 130.3 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.617 3.531 0 C-N-CA 126.926 2.09 . . . . 0.0 108.636 173.566 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.295 3.1 mp -83.5 132.45 49.51 Favored Pre-proline 2 CA--C 1.679 5.925 0 C-N-CA 126.56 1.944 . . . . 0.0 110.886 173.595 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.95 -22.36 62.85 Favored 'Trans proline' 3 C--N 1.538 10.519 0 C-N-CA 124.203 3.269 . . . . 0.0 117.678 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.93 39.35 1.83 Allowed Glycine 1 C--N 1.428 5.69 0 CA-C-O 118.071 -1.405 . . . . 0.0 115.806 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.22 -177.64 38.93 Favored Glycine 2 C--N 1.441 6.395 0 C-N-CA 125.467 1.508 . . . . 0.0 116.519 174.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.81 -38.18 28.85 Favored 'General case' 0 N--CA 1.535 3.791 0 C-N-CA 129.118 2.967 . . . . 0.0 115.21 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.52 -23.26 37.4 Favored 'General case' 2 C--N 1.448 4.876 0 C-N-CA 126.829 2.052 . . . . 0.0 116.037 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.97 -41.02 15.24 Favored 'General case' 1 C--N 1.443 4.663 0 C-N-CA 127.047 2.139 . . . . 0.0 113.598 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -90.57 -56.23 3.27 Favored 'General case' 1 C--N 1.448 4.867 0 C-N-CA 127.062 2.145 . . . . 0.0 114.531 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.1 -31.14 16.36 Favored 'General case' 1 C--N 1.459 5.369 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.06 -49.88 3.64 Favored Glycine 2 C--N 1.44 6.349 0 N-CA-C 117.874 1.909 . . . . 0.0 117.874 -173.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.543 8.5 mpt_? 88.95 52.27 0.01 OUTLIER 'General case' 2 N--CA 1.576 5.833 0 C-N-CA 130.553 3.541 . . . . 0.0 116.329 -178.021 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -111.59 129.38 56.09 Favored 'General case' 0 C--N 1.422 3.72 0 C-N-CA 127.311 2.245 . . . . 0.0 112.528 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -112.03 157.84 20.26 Favored 'General case' 0 N--CA 1.532 3.636 0 C-N-CA 128.123 2.569 . . . . 0.0 110.627 170.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.561 HG11 HG12 ' A' ' 43' ' ' ILE 0.278 3.1 m -51.39 -30.4 10.54 Favored 'Isoleucine or valine' 1 N--CA 1.634 8.731 0 C-N-CA 127.718 2.407 . . . . 0.0 116.187 175.645 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.283 9.7 p30 -90.36 8.15 34.97 Favored 'General case' 1 CA--C 1.653 4.909 0 C-N-CA 128.672 2.789 . . . . 0.0 113.724 -178.068 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.08 -34.96 16.57 Favored 'General case' 2 C--N 1.488 6.62 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.269 67.2 m 43.93 120.22 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.681 0 C-N-CA 129.361 3.065 . . . . 0.0 117.07 177.082 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.539 HG22 HG22 ' A' ' 64' ' ' VAL 0.25 15.0 mt -82.47 131.68 33.19 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.15 0 C-N-CA 125.171 1.389 . . . . 0.0 111.038 -175.959 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -97.3 -44.77 6.76 Favored 'General case' 1 C--N 1.429 4.057 0 O-C-N 125.217 1.573 . . . . 0.0 112.505 167.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -133.42 130.3 38.5 Favored 'General case' 1 C--N 1.445 4.722 0 O-C-N 125.161 1.538 . . . . 0.0 111.778 -175.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 61' ' ' ILE 0.268 1.0 OUTLIER -119.67 139.89 45.49 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.914 0 CA-C-O 117.41 -1.281 . . . . 0.0 108.939 178.164 . . . . . . . . 5 4 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 70.91 -5.37 1.51 Allowed 'General case' 2 N--CA 1.628 8.429 0 C-N-CA 126.794 2.038 . . . . 0.0 114.785 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.393 1.3 mp0 79.93 20.92 0.57 Allowed 'General case' 3 N--CA 1.586 6.374 0 C-N-CA 130.101 3.36 . . . . 0.0 111.589 -156.754 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.261 0.3 OUTLIER -106.24 148.43 10.65 Favored 'Isoleucine or valine' 1 C--N 1.449 4.923 0 C-N-CA 128.311 2.644 . . . . 0.0 109.962 -176.699 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.359 4.2 p-10 -82.87 97.49 8.68 Favored 'General case' 0 C--N 1.401 2.833 0 C-N-CA 127.335 2.254 . . . . 0.0 114.359 -174.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.425 24.0 m -90.71 -9.81 10.27 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.028 0 CA-C-N 112.733 -2.031 . . . . 0.0 114.512 173.737 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -46.14 -25.95 0.68 Allowed 'General case' 2 N--CA 1.597 6.887 0 C-N-CA 128.436 2.694 . . . . 0.0 116.93 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -153.79 76.54 1.07 Allowed 'General case' 2 C--N 1.448 4.876 0 C-N-CA 128.595 2.758 . . . . 0.0 108.009 177.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 1.579 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.281 18.0 m -138.7 166.15 23.23 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.68 0 C-N-CA 126.525 1.93 . . . . 0.0 109.497 175.001 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.6 p -79.71 162.74 25.01 Favored 'General case' 1 N--CA 1.556 4.838 0 C-N-CA 127.752 2.421 . . . . 0.0 110.969 168.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -47.98 -54.56 12.49 Favored 'General case' 3 N--CA 1.579 5.999 0 C-N-CA 128.616 2.766 . . . . 0.0 111.536 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -62.1 -30.1 70.78 Favored 'General case' 1 C--N 1.453 5.108 0 C-N-CA 127.123 2.169 . . . . 0.0 114.157 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.64 -19.83 51.7 Favored 'General case' 1 C--N 1.481 6.31 0 C-N-CA 126.511 1.924 . . . . 0.0 112.983 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.7 -37.01 15.86 Favored 'General case' 1 C--N 1.468 5.742 0 C-N-CA 126.403 1.881 . . . . 0.0 112.652 172.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -72.28 -41.51 65.93 Favored 'Isoleucine or valine' 3 N--CA 1.593 6.711 0 C-N-CA 126.968 2.107 . . . . 0.0 112.043 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.8 mt-10 -64.7 -18.13 64.72 Favored 'General case' 1 N--CA 1.601 7.125 0 C-N-CA 127.771 2.428 . . . . 0.0 114.819 177.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.25 -28.47 47.8 Favored 'General case' 1 CA--C 1.631 4.064 0 C-N-CA 126.663 1.985 . . . . 0.0 112.438 167.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.49 -33.83 14.34 Favored 'General case' 2 C--N 1.461 5.416 0 C-N-CA 126.666 1.986 . . . . 0.0 116.211 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -85.6 -40.04 16.68 Favored 'General case' 0 N--CA 1.538 3.954 0 C-N-CA 127.155 2.182 . . . . 0.0 114.068 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.278 40.0 mt-10 -91.43 -12.95 33.23 Favored 'General case' 2 N--CA 1.581 6.08 0 N-CA-C 120.085 3.365 . . . . 0.0 120.085 -175.694 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.04 -24.76 41.49 Favored 'General case' 3 N--CA 1.605 7.279 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.82 -35.11 4.55 Favored Glycine 1 C--N 1.423 5.376 0 N-CA-C 118.215 2.046 . . . . 0.0 118.215 166.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.0 p -175.58 -33.44 0.01 OUTLIER 'General case' 2 N--CA 1.555 4.787 0 C-N-CA 129.07 2.948 . . . . 0.0 112.943 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.292 42.5 mm -121.87 115.9 47.74 Favored 'Isoleucine or valine' 1 C--N 1.43 4.074 0 C-N-CA 126.256 1.822 . . . . 0.0 109.064 -174.087 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.69 117.03 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.26 0 C-N-CA 127.611 2.364 . . . . 0.0 111.22 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.516 ' HB3' HG22 ' A' ' 11' ' ' THR 0.41 35.5 ptt180 -113.93 100.24 8.27 Favored 'General case' 1 N--CA 1.559 4.986 0 C-N-CA 126.136 1.774 . . . . 0.0 115.587 -173.83 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.67 143.21 26.52 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.779 2.432 . . . . 0.0 114.175 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -122.75 113.59 19.4 Favored 'General case' 1 C--O 1.315 4.503 0 C-N-CA 127.356 2.262 . . . . 0.0 110.869 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 33.7 m -107.09 159.15 6.82 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.189 0 O-C-N 126.89 2.619 . . . . 0.0 115.308 -175.603 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.305 25.7 ptt? -126.33 117.38 22.87 Favored 'General case' 1 N--CA 1.565 5.309 0 C-N-CA 127.566 2.347 . . . . 0.0 114.409 -175.072 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.318 16.0 ptm180 . . . . . 1 N--CA 1.549 4.522 0 C-N-CA 126.805 2.042 . . . . 0.0 112.893 179.793 . . . . . . . . 2 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.6 m . . . . . 1 N--CA 1.546 4.34 0 N-CA-C 115.987 1.847 . . . . 0.0 115.987 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 2 C--N 1.455 5.159 0 C-N-CA 127.654 2.381 . . . . 0.0 107.272 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.379 11.2 pt-20 . . . . . 1 N--CA 1.554 4.735 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 . . . . . . . . . 2 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.11 142.99 35.92 Favored 'General case' 1 N--CA 1.545 4.287 0 C-N-CA 126.324 1.849 . . . . 0.0 112.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.95 135.15 50.49 Favored 'General case' 1 N--CA 1.539 4.002 0 C-N-CA 125.805 1.642 . . . . 0.0 113.891 -178.197 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.303 11.9 pt-20 -107.62 111.22 23.34 Favored 'General case' 0 C--N 1.426 3.898 0 C-N-CA 126.103 1.761 . . . . 0.0 112.571 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -112.48 141.84 26.77 Favored 'Isoleucine or valine' 2 N--CA 1.554 4.758 0 C-N-CA 125.021 1.329 . . . . 0.0 108.896 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.503 HG22 ' HB3' ' A' ' 89' ' ' ARG . 1.7 m -120.49 123.91 44.11 Favored 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 125.82 1.648 . . . . 0.0 109.021 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 C--N 1.408 3.113 0 C-N-CA 127.602 2.361 . . . . 0.0 112.525 178.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.328 0 N-CA-C 117.156 1.622 . . . . 0.0 117.156 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -156.18 164.11 38.77 Favored 'General case' 1 C--N 1.441 4.557 0 C-N-CA 127.781 2.433 . . . . 0.0 109.896 176.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.592 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 61.2 m -133.8 144.03 48.74 Favored 'General case' 1 C--N 1.441 4.586 0 C-N-CA 125.447 1.499 . . . . 0.0 111.201 171.742 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.51 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.616 2.2 pp -118.36 131.83 69.98 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.419 0 N-CA-C 120.205 3.409 . . . . 0.0 120.205 -173.609 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.98 118.86 37.67 Favored 'General case' 1 C--N 1.455 5.171 0 C-N-CA 126.207 1.803 . . . . 0.0 110.989 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.56 157.1 28.05 Favored Glycine 0 C--N 1.391 3.595 0 O-C-N 124.807 1.317 . . . . 0.0 114.743 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.66 145.54 5.52 Favored Glycine 1 C--N 1.402 4.202 0 N-CA-C 118.068 1.987 . . . . 0.0 118.068 -174.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.252 11.6 p -102.78 -33.82 9.24 Favored 'General case' 1 N--CA 1.559 5.016 0 C-N-CA 126.073 1.749 . . . . 0.0 112.625 164.716 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -106.41 -34.06 7.54 Favored 'General case' 1 C--N 1.437 4.379 0 C-N-CA 125.801 1.64 . . . . 0.0 113.301 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 . . . . . 2 CA--C 1.681 6.009 0 C-N-CA 127.217 2.207 . . . . 0.0 110.928 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.3 p . . . . . 1 N--CA 1.547 4.375 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.426 HG12 HG11 ' A' ' 69' ' ' VAL 0.267 0.8 OUTLIER -95.37 128.33 46.64 Favored 'Isoleucine or valine' 3 N--CA 1.549 4.518 0 C-N-CA 125.654 1.582 . . . . 0.0 109.985 -176.285 . . . . . . . . 5 4 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -130.66 157.19 43.43 Favored 'General case' 2 N--CA 1.548 4.437 0 C-N-CA 127.539 2.336 . . . . 0.0 111.416 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.24 141.11 14.76 Favored 'Isoleucine or valine' 1 C--N 1.461 5.449 0 C-N-CA 126.02 1.728 . . . . 0.0 109.199 171.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.343 1.3 p -148.58 -21.31 0.32 Allowed 'General case' 1 N--CA 1.55 4.567 0 C-N-CA 127.803 2.441 . . . . 0.0 113.765 -175.709 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 9.0 tmtm? -128.9 127.41 41.72 Favored 'General case' 1 C--N 1.481 6.324 0 C-N-CA 123.367 0.667 . . . . 0.0 110.76 176.216 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.615 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.277 45.8 mm -123.56 132.46 71.33 Favored 'Isoleucine or valine' 0 C--N 1.415 3.438 0 C-N-CA 126.916 2.087 . . . . 0.0 109.145 174.002 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.282 3.2 mp -85.77 129.29 55.2 Favored Pre-proline 1 CA--C 1.679 5.941 0 C-N-CA 126.479 1.912 . . . . 0.0 109.943 172.021 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.96 -19.72 63.98 Favored 'Trans proline' 3 C--N 1.535 10.384 0 C-N-CA 124.192 3.261 . . . . 0.0 117.88 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.49 37.85 2.05 Favored Glycine 1 C--N 1.428 5.683 0 CA-C-O 117.822 -1.543 . . . . 0.0 116.45 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.16 -178.01 40.35 Favored Glycine 3 C--N 1.444 6.575 0 C-N-CA 124.947 1.26 . . . . 0.0 116.045 173.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.98 -37.5 29.19 Favored 'General case' 0 N--CA 1.539 3.997 0 C-N-CA 128.536 2.735 . . . . 0.0 115.688 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.65 35.39 Favored 'General case' 2 C--N 1.445 4.722 0 C-N-CA 127.644 2.378 . . . . 0.0 115.395 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.3 -42.4 20.66 Favored 'General case' 1 C--N 1.452 5.026 0 C-N-CA 127.38 2.272 . . . . 0.0 113.339 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -91.05 -57.89 2.65 Favored 'General case' 1 C--N 1.45 4.944 0 C-N-CA 127.391 2.277 . . . . 0.0 115.021 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.82 -34.14 15.41 Favored 'General case' 1 C--N 1.46 5.394 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 -172.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.07 -43.64 7.03 Favored Glycine 2 C--N 1.44 6.345 0 N-CA-C 117.534 1.774 . . . . 0.0 117.534 -174.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.548 24.7 mmm180 88.31 52.33 0.01 OUTLIER 'General case' 2 N--CA 1.57 5.525 0 C-N-CA 130.777 3.631 . . . . 0.0 116.433 179.646 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tp -111.19 130.26 55.69 Favored 'General case' 0 C--N 1.418 3.548 0 C-N-CA 127.699 2.399 . . . . 0.0 111.568 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.45 156.43 21.66 Favored 'General case' 0 N--CA 1.524 3.273 0 C-N-CA 127.934 2.494 . . . . 0.0 110.305 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 HG12 ' A' ' 43' ' ' ILE . 6.4 p -56.18 -26.89 22.68 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.164 0 C-N-CA 129.042 2.937 . . . . 0.0 115.616 178.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -91.67 9.08 33.87 Favored 'General case' 1 CA--C 1.673 5.711 0 C-N-CA 129.104 2.962 . . . . 0.0 112.149 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.23 -36.19 18.1 Favored 'General case' 2 C--N 1.488 6.617 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.265 68.8 m 44.84 119.15 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.405 0 C-N-CA 129.734 3.214 . . . . 0.0 117.113 176.973 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.448 HG23 HG13 ' A' ' 64' ' ' VAL . 10.2 mt -83.68 128.32 38.92 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.183 0 C-N-CA 125.185 1.394 . . . . 0.0 110.542 -175.459 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.265 1.5 pt? -94.66 -46.03 7.11 Favored 'General case' 0 C--N 1.424 3.832 0 O-C-N 125.163 1.539 . . . . 0.0 111.996 169.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -131.04 132.9 45.24 Favored 'General case' 2 C--N 1.449 4.924 0 O-C-N 125.049 1.468 . . . . 0.0 113.463 -176.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.448 HG13 HG23 ' A' ' 61' ' ' ILE 0.466 0.0 OUTLIER -118.7 137.13 53.66 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.768 0 C-N-CA 124.474 1.11 . . . . 0.0 112.825 176.29 . . . . . . . . 5 4 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.277 4.4 m-20 74.49 -68.55 0.21 Allowed 'General case' 2 N--CA 1.58 6.073 0 C-N-CA 128.501 2.72 . . . . 0.0 112.428 -177.438 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.265 10.4 pt-20 -170.29 6.02 0.02 OUTLIER 'General case' 2 CA--C 1.643 4.551 1 C-N-CA 134.168 4.987 . . . . 0.0 108.941 174.087 . . . . . . . . 4 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.371 33.6 m -99.9 154.48 4.31 Favored 'Isoleucine or valine' 1 C--N 1.452 5.038 0 C-N-CA 127.845 2.458 . . . . 0.0 115.745 -169.015 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.388 4.2 p-10 -90.54 93.44 9.29 Favored 'General case' 0 C--N 1.419 3.59 0 C-N-CA 128.386 2.674 . . . . 0.0 112.542 -177.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.426 HG11 HG12 ' A' ' 38' ' ' ILE 0.311 0.5 OUTLIER -93.59 -8.87 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.319 0 CA-C-N 111.507 -2.588 . . . . 0.0 113.332 -179.61 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -56.89 -17.95 11.38 Favored 'General case' 2 N--CA 1.57 5.569 0 C-N-CA 128.041 2.536 . . . . 0.0 114.575 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -152.77 80.03 1.21 Allowed 'General case' 1 C--N 1.46 5.376 0 C-N-CA 128.817 2.847 . . . . 0.0 109.452 177.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -146.81 165.5 7.31 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.652 0 C-N-CA 127.499 2.32 . . . . 0.0 110.479 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -76.98 163.72 26.44 Favored 'General case' 1 N--CA 1.57 5.569 0 C-N-CA 126.338 1.855 . . . . 0.0 111.444 165.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.268 12.1 p80 -50.99 -53.78 30.22 Favored 'General case' 2 N--CA 1.598 6.934 0 C-N-CA 126.224 1.81 . . . . 0.0 114.318 177.055 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 t -62.38 -31.95 72.69 Favored 'General case' 3 N--CA 1.554 4.753 0 C-N-CA 126.88 2.072 . . . . 0.0 112.923 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.36 -22.75 61.1 Favored 'General case' 1 C--N 1.452 5.034 0 C-N-CA 128.395 2.678 . . . . 0.0 113.955 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.01 -32.26 15.99 Favored 'General case' 1 C--N 1.465 5.591 0 C-N-CA 126.335 1.854 . . . . 0.0 112.799 173.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.83 -41.06 69.85 Favored 'Isoleucine or valine' 3 N--CA 1.586 6.347 0 C-N-CA 127.409 2.284 . . . . 0.0 111.371 175.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 41.9 mt-10 -65.3 -16.47 63.61 Favored 'General case' 1 N--CA 1.595 6.812 0 C-N-CA 128.313 2.645 . . . . 0.0 115.044 176.62 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.02 -29.34 49.44 Favored 'General case' 0 CA--C 1.624 3.808 0 C-N-CA 126.852 2.061 . . . . 0.0 112.273 166.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.508 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.266 1.4 mt -92.95 -35.27 13.4 Favored 'General case' 2 C--N 1.464 5.564 0 N-CA-C 116.593 2.072 . . . . 0.0 116.593 178.754 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -85.52 -35.63 21.02 Favored 'General case' 1 N--CA 1.543 4.184 0 C-N-CA 127.373 2.269 . . . . 0.0 114.493 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.28 39.3 mt-10 -88.96 -14.12 37.35 Favored 'General case' 2 N--CA 1.585 6.291 0 N-CA-C 119.683 3.216 . . . . 0.0 119.683 -176.501 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.58 67.84 Favored 'General case' 3 N--CA 1.592 6.646 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.21 -34.67 5.6 Favored Glycine 1 C--N 1.422 5.336 0 N-CA-C 119.566 2.586 . . . . 0.0 119.566 165.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 m -168.28 -33.78 0.02 OUTLIER 'General case' 1 N--CA 1.554 4.736 0 C-N-CA 128.648 2.779 . . . . 0.0 112.482 -171.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.272 23.9 mm -124.92 110.7 25.53 Favored 'Isoleucine or valine' 1 C--N 1.441 4.561 0 C-N-CA 125.828 1.651 . . . . 0.0 109.143 -173.093 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.508 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.275 0.0 OUTLIER -119.56 118.15 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.402 0 O-C-N 126.133 2.146 . . . . 0.0 113.09 179.594 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.503 ' HB3' HG22 ' A' ' 11' ' ' THR 0.428 36.3 ptt180 -111.82 105.12 13.51 Favored 'General case' 1 N--CA 1.553 4.698 0 C-N-CA 125.943 1.697 . . . . 0.0 115.227 -177.862 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 138.45 32.1 Favored 'General case' 0 N--CA 1.527 3.384 0 C-N-CA 128.215 2.606 . . . . 0.0 113.95 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -117.52 112.66 20.9 Favored 'General case' 1 C--O 1.309 4.186 0 C-N-CA 126.685 1.994 . . . . 0.0 110.867 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 33.6 m -106.74 159.91 6.34 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.139 0 O-C-N 126.864 2.602 . . . . 0.0 115.491 -175.014 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.318 3.8 ppp? -125.38 116.93 22.66 Favored 'General case' 1 N--CA 1.564 5.249 0 C-N-CA 127.996 2.518 . . . . 0.0 114.121 -176.64 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.532 3.627 0 C-N-CA 127.928 2.491 . . . . 0.0 110.581 178.73 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.51 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 67.5 m . . . . . 0 CA--C 1.627 3.925 0 CA-C-O 119.517 -0.278 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 1 C--N 1.446 4.773 0 C-N-CA 125.833 1.653 . . . . 0.0 107.201 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.372 9.7 pt-20 . . . . . 1 N--CA 1.546 4.346 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 . . . . . . . . . 2 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -103.54 141.82 35.36 Favored 'General case' 1 N--CA 1.542 4.16 0 C-N-CA 126.63 1.972 . . . . 0.0 112.554 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -128.19 130.96 48.82 Favored 'General case' 2 N--CA 1.547 4.381 0 O-C-N 124.531 1.144 . . . . 0.0 111.798 -175.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.296 11.5 pt-20 -103.64 110.7 22.87 Favored 'General case' 0 C--N 1.426 3.902 0 C-N-CA 126.302 1.841 . . . . 0.0 112.789 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mt -111.44 145.99 16.96 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.207 0 C-N-CA 124.655 1.182 . . . . 0.0 110.589 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.23 126.54 51.77 Favored 'General case' 2 N--CA 1.551 4.616 0 C-N-CA 127.052 2.141 . . . . 0.0 113.955 173.249 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.539 4.0 0 C-N-CA 127.436 2.294 . . . . 0.0 113.269 174.789 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.021 0 N-CA-C 115.909 1.124 . . . . 0.0 115.909 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -158.51 167.29 30.03 Favored 'General case' 0 CA--C 1.625 3.836 0 C-N-CA 129.185 2.994 . . . . 0.0 108.771 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.597 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.6 m -133.7 145.81 50.23 Favored 'General case' 1 C--N 1.438 4.424 0 C-N-CA 124.357 1.063 . . . . 0.0 110.704 166.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.529 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.538 1.9 pp -119.12 126.2 75.15 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.214 0 N-CA-C 119.476 3.139 . . . . 0.0 119.476 -175.437 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.36 118.4 36.55 Favored 'General case' 1 C--N 1.437 4.388 0 CA-C-N 112.664 -2.062 . . . . 0.0 111.1 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.95 162.67 36.46 Favored Glycine 0 N--CA 1.516 3.983 0 C-N-CA 125.103 1.335 . . . . 0.0 114.295 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.17 139.76 3.27 Favored Glycine 2 C--N 1.417 5.079 0 N-CA-C 118.836 2.294 . . . . 0.0 118.836 -172.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.269 7.0 p -101.47 -40.12 7.21 Favored 'General case' 1 N--CA 1.56 5.043 0 C-N-CA 125.958 1.703 . . . . 0.0 113.286 164.554 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.39 -34.05 8.41 Favored 'General case' 2 C--N 1.433 4.204 0 C-N-CA 126.001 1.72 . . . . 0.0 113.264 177.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 . . . . . 2 C--N 1.446 4.761 0 C-N-CA 126.891 2.076 . . . . 0.0 112.67 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 1 N--CA 1.554 4.765 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.264 2.2 mm -96.09 111.64 26.73 Favored 'Isoleucine or valine' 3 C--N 1.451 4.98 0 C-N-CA 126.083 1.753 . . . . 0.0 108.477 -179.858 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -122.28 149.97 42.98 Favored 'General case' 1 N--CA 1.539 4.005 0 C-N-CA 130.029 3.332 . . . . 0.0 111.801 -170.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.35 141.7 13.94 Favored 'Isoleucine or valine' 2 C--N 1.451 5.02 0 C-N-CA 125.486 1.514 . . . . 0.0 110.17 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.312 3.2 p -145.66 -26.62 0.46 Allowed 'General case' 1 N--CA 1.556 4.834 0 C-N-CA 127.668 2.387 . . . . 0.0 113.573 -177.835 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.597 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.278 51.2 tptt -121.83 127.63 50.77 Favored 'General case' 1 C--N 1.465 5.591 0 C-N-CA 124.459 1.103 . . . . 0.0 112.636 177.074 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.619 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.269 42.1 mm -127.41 124.26 63.46 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.285 0 C-N-CA 127.522 2.329 . . . . 0.0 108.102 173.143 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.297 3.7 mp -78.17 131.2 69.98 Favored Pre-proline 2 CA--C 1.682 6.02 0 C-N-CA 126.505 1.922 . . . . 0.0 110.884 171.834 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.93 -22.4 55.86 Favored 'Trans proline' 3 C--N 1.535 10.371 0 C-N-CA 124.231 3.288 . . . . 0.0 117.427 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.82 43.0 1.33 Allowed Glycine 1 C--N 1.43 5.757 0 CA-C-O 118.307 -1.274 . . . . 0.0 115.815 178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.84 -177.97 32.14 Favored Glycine 2 C--N 1.438 6.248 0 C-N-CA 125.362 1.458 . . . . 0.0 115.216 173.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.92 -37.33 29.78 Favored 'General case' 0 N--CA 1.536 3.835 0 C-N-CA 127.887 2.475 . . . . 0.0 115.689 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.65 -22.86 40.13 Favored 'General case' 2 N--CA 1.556 4.829 0 C-N-CA 126.547 1.939 . . . . 0.0 115.739 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.28 -42.59 14.49 Favored 'General case' 1 C--N 1.446 4.783 0 C-N-CA 127.26 2.224 . . . . 0.0 113.401 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -90.94 -57.02 2.95 Favored 'General case' 1 C--N 1.449 4.934 0 C-N-CA 127.164 2.186 . . . . 0.0 114.812 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.04 -33.0 15.69 Favored 'General case' 1 C--N 1.46 5.376 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 -173.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.03 -47.0 5.44 Favored Glycine 2 C--N 1.441 6.372 0 N-CA-C 117.522 1.769 . . . . 0.0 117.522 -173.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.584 98.7 mtt180 88.24 52.57 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.823 0 C-N-CA 130.438 3.495 . . . . 0.0 116.76 -179.192 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tp -111.38 130.49 55.68 Favored 'General case' 0 C--N 1.416 3.471 0 C-N-CA 127.662 2.385 . . . . 0.0 111.494 171.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.41 154.64 24.34 Favored 'General case' 0 N--CA 1.526 3.339 0 C-N-CA 127.724 2.41 . . . . 0.0 110.344 169.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG21 HG12 ' A' ' 43' ' ' ILE . 5.9 p -54.81 -27.6 18.78 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.424 0 C-N-CA 129.009 2.924 . . . . 0.0 115.896 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.291 28.5 p30 -91.51 8.56 35.91 Favored 'General case' 1 CA--C 1.654 4.972 0 C-N-CA 128.836 2.855 . . . . 0.0 113.942 178.133 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.07 -34.05 22.33 Favored 'General case' 2 C--N 1.491 6.733 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 m 45.49 118.41 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.397 0 C-N-CA 129.047 2.939 . . . . 0.0 116.389 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.533 HG23 HG13 ' A' ' 64' ' ' VAL . 6.0 mt -84.81 127.63 39.69 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.783 0 C-N-CA 124.697 1.199 . . . . 0.0 110.307 -175.22 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.258 1.4 pt? -94.05 -42.9 8.77 Favored 'General case' 1 C--N 1.431 4.138 0 O-C-N 125.139 1.524 . . . . 0.0 112.438 170.477 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -134.44 132.66 39.59 Favored 'General case' 2 C--N 1.448 4.853 0 O-C-N 124.721 1.263 . . . . 0.0 113.831 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.533 HG13 HG23 ' A' ' 61' ' ' ILE 0.512 3.0 m -116.56 136.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.413 3.327 0 C-N-CA 124.97 1.308 . . . . 0.0 113.197 173.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.292 2.0 m120 71.91 -78.04 0.05 Allowed 'General case' 2 N--CA 1.553 4.695 0 C-N-CA 128.912 2.885 . . . . 0.0 112.042 179.389 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -151.71 4.74 0.43 Allowed 'General case' 2 CA--C 1.641 4.48 1 C-N-CA 132.672 4.389 . . . . 0.0 108.625 170.762 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.346 31.6 m -100.75 156.25 4.3 Favored 'Isoleucine or valine' 1 C--N 1.455 5.182 0 C-N-CA 127.915 2.486 . . . . 0.0 115.372 -168.444 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.403 4.4 p30 -85.3 95.8 9.33 Favored 'General case' 0 C--N 1.413 3.35 0 C-N-CA 127.58 2.352 . . . . 0.0 114.714 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.556 3.6 m -93.6 33.07 0.15 Allowed 'Isoleucine or valine' 1 N--CA 1.557 4.911 0 CA-C-O 123.504 1.621 . . . . 0.0 114.482 170.079 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -82.56 -35.71 26.94 Favored 'General case' 0 N--CA 1.532 3.672 0 CA-C-N 111.791 -2.459 . . . . 0.0 112.9 170.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . 0.308 0.1 OUTLIER -159.03 91.52 1.04 Allowed 'General case' 1 C--N 1.492 6.78 0 C-N-CA 128.003 2.521 . . . . 0.0 110.815 179.818 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.279 27.8 m -142.46 166.02 16.24 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.328 0 C-N-CA 126.908 2.083 . . . . 0.0 109.859 175.543 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -76.85 158.07 31.04 Favored 'General case' 1 N--CA 1.56 5.026 0 C-N-CA 125.833 1.653 . . . . 0.0 111.77 167.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -48.98 -54.64 14.74 Favored 'General case' 3 N--CA 1.581 6.078 0 C-N-CA 128.434 2.694 . . . . 0.0 112.392 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -61.58 -34.67 76.0 Favored 'General case' 2 C--N 1.456 5.233 0 C-N-CA 126.751 2.02 . . . . 0.0 113.427 176.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.79 -22.65 62.34 Favored 'General case' 2 C--N 1.46 5.372 0 C-N-CA 128.106 2.562 . . . . 0.0 114.424 174.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.29 -30.55 17.42 Favored 'General case' 1 C--N 1.461 5.426 0 C-N-CA 126.553 1.941 . . . . 0.0 112.926 175.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.99 -41.71 27.58 Favored 'Isoleucine or valine' 3 N--CA 1.583 6.19 0 C-N-CA 127.204 2.201 . . . . 0.0 110.695 174.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 39.5 mt-10 -62.93 -24.0 67.65 Favored 'General case' 2 N--CA 1.598 6.95 0 C-N-CA 128.585 2.754 . . . . 0.0 115.615 178.324 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.55 -29.31 63.45 Favored 'General case' 1 C--N 1.43 4.078 0 C-N-CA 126.479 1.911 . . . . 0.0 111.751 168.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.253 12.4 mt -94.37 -25.72 16.84 Favored 'General case' 1 C--N 1.453 5.105 0 C-N-CA 127.868 2.467 . . . . 0.0 116.344 179.81 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -90.28 -36.72 14.54 Favored 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 127.156 2.183 . . . . 0.0 113.586 174.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.267 39.8 mt-10 -90.52 -16.84 28.11 Favored 'General case' 2 N--CA 1.597 6.901 0 N-CA-C 120.048 3.351 . . . . 0.0 120.048 -176.544 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.55 -22.46 13.23 Favored 'General case' 3 N--CA 1.6 7.063 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.99 -35.01 4.91 Favored Glycine 1 C--N 1.424 5.43 0 N-CA-C 120.092 2.797 . . . . 0.0 120.092 164.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 t -175.25 -30.75 0.01 OUTLIER 'General case' 1 N--CA 1.577 5.881 0 C-N-CA 128.426 2.69 . . . . 0.0 110.935 -175.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.288 36.4 mm -126.44 129.7 71.84 Favored 'Isoleucine or valine' 1 C--N 1.44 4.506 0 C-N-CA 125.641 1.576 . . . . 0.0 109.1 179.34 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.365 22.0 m -123.32 123.59 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.596 0 C-N-CA 127.901 2.48 . . . . 0.0 112.365 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.411 34.0 ptt180 -111.83 124.82 53.16 Favored 'General case' 1 N--CA 1.544 4.245 0 C-N-CA 126.286 1.834 . . . . 0.0 114.884 -179.899 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 139.22 48.91 Favored 'General case' 0 N--CA 1.523 3.176 0 C-N-CA 128.095 2.558 . . . . 0.0 113.414 177.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -119.47 111.1 17.7 Favored 'General case' 0 C--O 1.302 3.852 0 C-N-CA 126.801 2.04 . . . . 0.0 110.498 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.256 32.9 m -106.53 160.96 5.88 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.471 0 O-C-N 126.535 2.397 . . . . 0.0 115.008 -174.781 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.338 0.0 OUTLIER -122.16 115.71 22.9 Favored 'General case' 1 N--CA 1.561 5.1 0 C-N-CA 127.272 2.229 . . . . 0.0 113.306 -177.926 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 . . . . . 0 N--CA 1.535 3.789 0 C-N-CA 127.601 2.361 . . . . 0.0 111.652 -178.246 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.529 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 67.9 m . . . . . 2 N--CA 1.56 5.074 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 2 N--CA 1.553 4.709 0 C-N-CA 126.637 1.975 . . . . 0.0 109.184 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.362 11.1 pt-20 . . . . . 1 N--CA 1.551 4.618 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 . . . . . . . . . 2 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -108.13 145.22 34.44 Favored 'General case' 1 N--CA 1.55 4.541 0 C-N-CA 126.242 1.817 . . . . 0.0 113.12 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -130.7 135.68 48.05 Favored 'General case' 2 C--N 1.439 4.493 0 C-N-CA 124.937 1.295 . . . . 0.0 111.078 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.283 11.7 pt-20 -107.2 113.96 27.71 Favored 'General case' 0 C--N 1.426 3.902 0 C-N-CA 126.442 1.897 . . . . 0.0 112.659 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt -113.06 141.75 27.68 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.13 0 C-N-CA 124.673 1.189 . . . . 0.0 110.286 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.262 0.6 OUTLIER -113.18 123.03 49.26 Favored 'General case' 1 N--CA 1.54 4.04 0 C-N-CA 126.738 2.015 . . . . 0.0 113.09 170.703 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 mt . . . . . 0 N--CA 1.523 3.206 0 C-N-CA 127.601 2.36 . . . . 0.0 112.285 176.762 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.497 2.753 0 N-CA-C 116.719 1.447 . . . . 0.0 116.719 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -159.91 170.84 20.53 Favored 'General case' 2 C--N 1.458 5.298 0 C-N-CA 127.356 2.262 . . . . 0.0 110.687 172.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.482 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 72.9 m -140.62 142.78 35.0 Favored 'General case' 1 C--N 1.45 4.966 0 C-N-CA 126.165 1.786 . . . . 0.0 110.053 166.591 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.397 0.1 OUTLIER -110.67 132.37 59.27 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.007 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -176.901 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.47 118.1 35.72 Favored 'General case' 1 C--N 1.452 5.042 0 O-C-N 124.898 1.374 . . . . 0.0 110.911 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.59 155.89 26.86 Favored Glycine 0 C--N 1.386 3.318 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.434 -175.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.05 140.54 3.51 Favored Glycine 1 C--N 1.398 4.018 0 N-CA-C 118.352 2.101 . . . . 0.0 118.352 -172.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 9.3 p -100.69 -35.45 9.47 Favored 'General case' 1 N--CA 1.558 4.939 0 C-N-CA 126.196 1.799 . . . . 0.0 113.382 165.973 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -104.0 -36.7 7.65 Favored 'General case' 1 C--N 1.434 4.251 0 C-N-CA 125.608 1.563 . . . . 0.0 113.2 177.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 2 CA--C 1.678 5.89 0 C-N-CA 127.134 2.174 . . . . 0.0 110.652 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 1 N--CA 1.566 5.33 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.253 0.5 OUTLIER -97.05 125.11 50.15 Favored 'Isoleucine or valine' 2 C--N 1.451 4.978 0 C-N-CA 125.963 1.705 . . . . 0.0 109.535 -178.895 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . 0.314 20.3 p90 -141.91 157.83 44.51 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 128.034 2.533 . . . . 0.0 113.589 -177.483 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.472 ' HB ' ' HA ' ' A' ' 57' ' ' VAL . 1.3 mm -84.06 144.71 9.37 Favored 'Isoleucine or valine' 2 C--N 1.447 4.846 0 C-N-CA 126.96 2.104 . . . . 0.0 111.187 -179.425 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.303 5.9 p -147.61 -29.2 0.34 Allowed 'General case' 1 N--CA 1.549 4.48 0 C-N-CA 128.063 2.545 . . . . 0.0 113.659 -178.386 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.2 tmtm? -122.15 124.89 44.93 Favored 'General case' 1 C--N 1.475 6.033 0 O-C-N 123.644 0.59 . . . . 0.0 111.103 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.625 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 40.3 mm -123.53 128.74 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.38 0 C-N-CA 127.179 2.192 . . . . 0.0 108.222 173.289 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.305 3.9 mp -80.68 134.42 54.03 Favored Pre-proline 2 CA--C 1.682 6.039 0 C-N-CA 125.72 1.608 . . . . 0.0 111.477 172.756 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -66.37 -23.24 51.5 Favored 'Trans proline' 3 C--N 1.537 10.498 0 C-N-CA 124.22 3.28 . . . . 0.0 117.607 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.41 43.92 1.25 Allowed Glycine 1 C--N 1.43 5.753 0 CA-C-O 118.264 -1.298 . . . . 0.0 115.673 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.428 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -101.75 -177.25 28.27 Favored Glycine 2 C--N 1.434 6.003 0 C-N-CA 125.577 1.561 . . . . 0.0 115.839 175.064 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.42 -35.36 35.25 Favored 'General case' 0 N--CA 1.538 3.965 0 C-N-CA 128.025 2.53 . . . . 0.0 115.814 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.4 38.4 Favored 'General case' 2 N--CA 1.555 4.778 0 C-N-CA 126.539 1.936 . . . . 0.0 116.159 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.69 -41.32 14.28 Favored 'General case' 1 C--N 1.442 4.589 0 C-N-CA 127.082 2.153 . . . . 0.0 113.639 177.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -90.91 -56.73 3.06 Favored 'General case' 2 C--N 1.449 4.897 0 C-N-CA 126.96 2.104 . . . . 0.0 114.653 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -90.93 -33.12 15.72 Favored 'General case' 1 C--N 1.46 5.398 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -174.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.48 -48.95 4.33 Favored Glycine 2 C--N 1.441 6.372 0 N-CA-C 117.657 1.823 . . . . 0.0 117.657 -173.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.537 99.2 mtt180 88.01 50.57 0.01 OUTLIER 'General case' 2 N--CA 1.582 6.166 0 C-N-CA 130.425 3.49 . . . . 0.0 116.26 -179.209 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.62 127.85 55.87 Favored 'General case' 0 C--N 1.42 3.666 0 C-N-CA 127.647 2.379 . . . . 0.0 111.958 172.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -111.76 160.42 17.33 Favored 'General case' 0 N--CA 1.532 3.631 0 C-N-CA 128.171 2.588 . . . . 0.0 110.59 170.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 43' ' ' ILE 0.276 2.9 m -52.63 -29.85 14.26 Favored 'Isoleucine or valine' 1 N--CA 1.629 8.494 0 C-N-CA 127.704 2.401 . . . . 0.0 116.07 175.047 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -90.58 7.94 36.65 Favored 'General case' 1 CA--C 1.667 5.454 0 C-N-CA 128.992 2.917 . . . . 0.0 112.098 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.33 -35.93 15.82 Favored 'General case' 2 C--N 1.49 6.674 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m 45.96 118.23 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.704 0 C-N-CA 129.393 3.077 . . . . 0.0 116.394 175.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.609 HG21 HG22 ' A' ' 64' ' ' VAL 0.251 7.7 mt -85.33 131.15 34.92 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.2 0 C-N-CA 124.381 1.072 . . . . 0.0 110.657 -175.68 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -95.86 -45.04 7.13 Favored 'General case' 0 C--N 1.427 3.958 0 O-C-N 125.203 1.565 . . . . 0.0 112.45 168.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -131.09 121.6 25.24 Favored 'General case' 1 C--N 1.453 5.087 0 O-C-N 124.944 1.403 . . . . 0.0 113.432 -175.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.609 HG22 HG21 ' A' ' 61' ' ' ILE 0.381 2.1 p -120.45 129.57 75.41 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.92 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -176.011 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.3 t30 73.2 3.19 4.58 Favored 'General case' 2 N--CA 1.622 8.15 0 C-N-CA 129.005 2.922 . . . . 0.0 111.25 -170.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.409 45.0 mt-10 84.3 15.26 0.24 Allowed 'General case' 3 N--CA 1.573 5.724 0 C-N-CA 131.204 3.802 . . . . 0.0 112.202 -160.882 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.502 HG21 ' O ' ' A' ' 64' ' ' VAL 0.359 4.6 m -92.2 155.87 3.07 Favored 'Isoleucine or valine' 1 C--N 1.474 6.004 0 C-N-CA 126.606 1.963 . . . . 0.0 112.917 -178.42 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.79 99.28 11.99 Favored 'General case' 0 CA--C 1.608 3.192 0 O-C-N 126.029 2.081 . . . . 0.0 111.114 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.502 29.0 m -93.21 -17.33 7.41 Favored 'Isoleucine or valine' 1 N--CA 1.559 4.977 0 CA-C-N 111.644 -2.525 . . . . 0.0 116.843 177.205 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.374 38.6 ptt180 -44.04 -26.18 0.27 Allowed 'General case' 2 N--CA 1.589 6.498 0 N-CA-C 118.68 2.844 . . . . 0.0 118.68 -177.145 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -145.96 78.07 1.51 Allowed 'General case' 1 C--N 1.442 4.614 0 C-N-CA 129.395 3.078 . . . . 0.0 108.864 175.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 1.549 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.289 17.7 m -142.04 162.65 19.66 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.64 0 C-N-CA 126.729 2.012 . . . . 0.0 110.858 178.327 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 p -78.44 164.42 24.78 Favored 'General case' 1 N--CA 1.57 5.54 0 C-N-CA 126.706 2.002 . . . . 0.0 111.489 167.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.253 11.7 p80 -52.99 -51.29 62.11 Favored 'General case' 2 N--CA 1.597 6.898 0 C-N-CA 126.176 1.79 . . . . 0.0 113.869 175.892 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.1 p -56.85 -37.84 71.85 Favored 'General case' 2 N--CA 1.558 4.955 0 C-N-CA 127.321 2.248 . . . . 0.0 114.139 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.88 -22.8 62.23 Favored 'General case' 2 C--N 1.446 4.77 0 C-N-CA 128.979 2.912 . . . . 0.0 114.476 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.46 -29.53 17.89 Favored 'General case' 1 C--N 1.459 5.34 0 C-N-CA 127.184 2.194 . . . . 0.0 113.352 174.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.46 -40.75 29.05 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.561 0 C-N-CA 127.714 2.406 . . . . 0.0 110.447 173.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.08 -21.78 66.41 Favored 'General case' 2 N--CA 1.595 6.799 0 C-N-CA 128.944 2.897 . . . . 0.0 115.774 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.2 61.52 Favored 'General case' 0 C--N 1.422 3.744 0 C-N-CA 126.938 2.095 . . . . 0.0 111.44 169.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.453 ' HA ' HG21 ' A' ' 88' ' ' VAL 0.258 15.4 mt -92.53 -38.13 12.11 Favored 'General case' 1 C--N 1.46 5.412 0 C-N-CA 127.521 2.328 . . . . 0.0 115.882 178.54 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -79.36 -35.02 41.51 Favored 'General case' 1 N--CA 1.546 4.361 0 C-N-CA 128.159 2.584 . . . . 0.0 113.264 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.29 40.8 mt-10 -87.28 -23.56 24.64 Favored 'General case' 2 N--CA 1.593 6.68 0 N-CA-C 119.754 3.242 . . . . 0.0 119.754 -177.664 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -23.89 64.06 Favored 'General case' 3 N--CA 1.59 6.556 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.35 -35.02 5.18 Favored Glycine 1 C--N 1.425 5.515 0 N-CA-C 120.188 2.835 . . . . 0.0 120.188 166.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.8 t -167.77 -33.12 0.02 OUTLIER 'General case' 1 N--CA 1.553 4.7 0 C-N-CA 127.715 2.406 . . . . 0.0 111.504 -172.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.3 26.4 mm -125.78 116.26 45.6 Favored 'Isoleucine or valine' 2 C--N 1.444 4.682 0 C-N-CA 125.262 1.425 . . . . 0.0 109.534 -175.876 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.453 HG21 ' HA ' ' A' ' 81' ' ' LEU 0.327 0.8 OUTLIER -120.94 125.36 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.148 0 C-N-CA 128.638 2.775 . . . . 0.0 111.559 -176.191 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.4 30.2 ptt180 -117.68 102.0 8.79 Favored 'General case' 1 N--CA 1.564 5.265 0 C-N-CA 126.637 1.975 . . . . 0.0 115.731 -174.486 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.49 137.39 34.61 Favored 'General case' 0 C--N 1.416 3.492 0 C-N-CA 127.028 2.131 . . . . 0.0 113.947 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -117.45 112.33 20.51 Favored 'General case' 0 C--O 1.305 3.999 0 C-N-CA 126.722 2.009 . . . . 0.0 110.765 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.268 35.0 m -106.11 159.66 6.05 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.176 0 O-C-N 126.719 2.512 . . . . 0.0 115.249 -174.434 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.302 26.0 ptt? -125.15 117.15 23.26 Favored 'General case' 1 N--CA 1.563 5.196 0 C-N-CA 127.778 2.431 . . . . 0.0 114.09 -175.349 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 . . . . . 0 CA--C 1.616 3.497 0 C-N-CA 127.91 2.484 . . . . 0.0 108.666 178.359 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 2 CA--C 1.643 4.523 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.262 2.9 t . . . . . 2 N--CA 1.552 4.632 0 C-N-CA 126.786 2.034 . . . . 0.0 109.651 -174.373 . . . . . . . . 2 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.353 10.3 pt-20 . . . . . 0 N--CA 1.538 3.937 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -100.55 142.27 32.26 Favored 'General case' 1 N--CA 1.543 4.195 0 C-N-CA 126.521 1.928 . . . . 0.0 113.314 -174.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -127.08 132.86 50.56 Favored 'General case' 1 C--N 1.432 4.195 0 C-N-CA 124.748 1.219 . . . . 0.0 110.78 -177.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.294 11.7 pt-20 -105.96 112.72 25.89 Favored 'General case' 0 C--N 1.42 3.657 0 C-N-CA 126.442 1.897 . . . . 0.0 112.595 175.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -111.64 139.24 36.87 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.623 0 C-N-CA 124.726 1.21 . . . . 0.0 109.265 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.492 HG22 ' HB3' ' A' ' 89' ' ' ARG . 1.8 m -121.57 121.06 36.59 Favored 'General case' 0 N--CA 1.529 3.478 0 C-N-CA 126.003 1.721 . . . . 0.0 108.284 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt . . . . . 0 C--N 1.403 2.9 0 C-N-CA 127.372 2.269 . . . . 0.0 111.537 179.045 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.516 3.985 0 N-CA-C 117.009 1.564 . . . . 0.0 117.009 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -154.96 169.17 24.7 Favored 'General case' 1 C--N 1.449 4.921 0 C-N-CA 127.315 2.246 . . . . 0.0 109.932 176.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.509 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 70.8 m -136.2 143.24 44.27 Favored 'General case' 1 C--N 1.444 4.699 0 C-N-CA 125.208 1.403 . . . . 0.0 110.484 169.229 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.411 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.544 2.1 pp -120.82 125.82 74.51 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.676 0 N-CA-C 119.444 3.127 . . . . 0.0 119.444 -176.788 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.26 131.85 49.99 Favored 'General case' 1 C--N 1.442 4.59 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.156 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.74 167.58 33.68 Favored Glycine 1 N--CA 1.519 4.178 0 C-N-CA 125.338 1.446 . . . . 0.0 113.642 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.37 125.22 0.87 Allowed Glycine 1 C--N 1.403 4.254 0 N-CA-C 119.444 2.538 . . . . 0.0 119.444 176.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.279 16.3 p -96.86 -30.42 13.15 Favored 'General case' 1 N--CA 1.566 5.355 0 C-N-CA 125.083 1.353 . . . . 0.0 113.019 162.3 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -109.77 -37.15 5.73 Favored 'General case' 1 C--N 1.436 4.345 0 C-N-CA 124.797 1.239 . . . . 0.0 112.965 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 . . . . . 2 CA--C 1.649 4.772 0 C-N-CA 126.944 2.097 . . . . 0.0 114.04 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 1 N--CA 1.559 4.988 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 1.602 ' CB ' ' CA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -89.95 128.7 41.75 Favored 'Isoleucine or valine' 3 CA--C 1.662 5.273 0 C-N-CA 128.049 2.54 . . . . 0.0 108.74 175.765 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -141.67 166.45 24.7 Favored 'General case' 2 C--O 1.33 5.324 0 C-N-CA 126.907 2.083 . . . . 0.0 110.781 175.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -87.86 139.87 16.68 Favored 'Isoleucine or valine' 1 C--N 1.466 5.663 0 C-N-CA 126.435 1.894 . . . . 0.0 108.209 169.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 6.3 p -142.94 -25.95 0.6 Allowed 'General case' 1 N--CA 1.553 4.715 0 C-N-CA 127.307 2.243 . . . . 0.0 113.485 -175.064 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 10.2 tmtt? -128.4 128.42 44.44 Favored 'General case' 1 C--N 1.475 6.051 0 C-N-CA 123.482 0.713 . . . . 0.0 111.156 178.32 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.624 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.273 46.0 mm -124.37 130.68 73.53 Favored 'Isoleucine or valine' 0 C--N 1.414 3.379 0 C-N-CA 127.056 2.142 . . . . 0.0 108.577 174.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.3 mp -86.54 129.66 52.17 Favored Pre-proline 1 CA--C 1.679 5.941 0 C-N-CA 126.22 1.808 . . . . 0.0 110.263 173.436 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.75 -21.81 69.59 Favored 'Trans proline' 3 C--N 1.538 10.551 0 C-N-CA 124.436 3.424 . . . . 0.0 117.888 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.06 38.94 1.93 Allowed Glycine 1 C--N 1.428 5.676 0 CA-C-O 118.068 -1.407 . . . . 0.0 116.14 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.16 -177.8 38.97 Favored Glycine 2 C--N 1.442 6.449 0 C-N-CA 125.232 1.396 . . . . 0.0 116.35 174.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.99 -37.66 28.88 Favored 'General case' 0 N--CA 1.536 3.858 0 C-N-CA 128.686 2.794 . . . . 0.0 115.589 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.68 -25.76 35.26 Favored 'General case' 2 N--CA 1.555 4.81 0 C-N-CA 127.826 2.451 . . . . 0.0 115.851 177.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 -40.97 19.11 Favored 'General case' 1 C--N 1.45 4.965 0 C-N-CA 127.535 2.334 . . . . 0.0 113.323 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -90.7 -58.14 2.58 Favored 'General case' 1 C--N 1.451 4.983 0 C-N-CA 127.329 2.251 . . . . 0.0 114.23 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.39 -29.31 17.15 Favored 'General case' 2 C--N 1.46 5.371 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -37.44 13.19 Favored Glycine 2 C--N 1.438 6.242 0 N-CA-C 118.14 2.016 . . . . 0.0 118.14 -172.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.411 32.1 mmt180 87.46 17.34 0.08 Allowed 'General case' 2 N--CA 1.595 6.8 0 C-N-CA 130.094 3.358 . . . . 0.0 115.736 179.258 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 tp -90.69 127.82 36.43 Favored 'General case' 1 C--N 1.436 4.348 0 C-N-CA 126.786 2.034 . . . . 0.0 112.941 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.06 155.15 23.21 Favored 'General case' 0 N--CA 1.522 3.172 0 C-N-CA 128.369 2.668 . . . . 0.0 110.2 172.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.496 HG22 HG12 ' A' ' 43' ' ' ILE . 5.3 p -56.3 -26.66 22.64 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.1 0 C-N-CA 128.91 2.884 . . . . 0.0 115.944 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -91.85 8.85 35.36 Favored 'General case' 1 CA--C 1.67 5.579 0 C-N-CA 128.733 2.813 . . . . 0.0 112.305 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.37 -33.77 21.93 Favored 'General case' 2 C--N 1.489 6.647 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.26 68.8 m 45.94 120.09 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.401 0 C-N-CA 129.826 3.25 . . . . 0.0 116.811 175.719 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.585 HG21 HG13 ' A' ' 64' ' ' VAL . 10.3 mt -83.88 130.78 35.3 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.924 0 C-N-CA 124.892 1.277 . . . . 0.0 110.686 -176.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.269 1.5 pt? -96.0 -45.75 6.79 Favored 'General case' 1 C--N 1.433 4.202 0 O-C-N 125.295 1.622 . . . . 0.0 112.558 167.842 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.65 132.15 45.28 Favored 'General case' 2 C--N 1.449 4.923 0 O-C-N 124.764 1.29 . . . . 0.0 114.382 -176.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.585 HG13 HG21 ' A' ' 61' ' ' ILE 0.554 1.1 m -118.73 131.5 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.828 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 175.499 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.259 12.8 t-20 77.12 -74.15 0.08 Allowed 'General case' 2 N--CA 1.571 5.592 0 C-N-CA 130.78 3.632 . . . . 0.0 108.937 -176.07 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -156.92 5.03 0.15 Allowed 'General case' 1 CA--C 1.671 5.604 1 C-N-CA 132.565 4.346 . . . . 0.0 106.884 171.074 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.392 5.5 m -92.93 154.83 3.17 Favored 'Isoleucine or valine' 1 C--N 1.463 5.523 0 C-N-CA 127.897 2.479 . . . . 0.0 115.218 -169.687 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.06 100.38 12.6 Favored 'General case' 0 C--N 1.41 3.199 0 CA-C-N 111.89 -2.414 . . . . 0.0 111.51 -175.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.497 HG13 HG12 ' A' ' 38' ' ' ILE 0.384 0.9 OUTLIER -103.81 19.28 4.01 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.032 0 C-N-CA 127.409 2.284 . . . . 0.0 112.235 177.389 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.93 -28.06 61.33 Favored 'General case' 1 N--CA 1.548 4.445 0 C-N-CA 128.227 2.611 . . . . 0.0 113.145 171.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -159.64 84.51 0.76 Allowed 'General case' 1 C--N 1.477 6.11 0 C-N-CA 127.985 2.514 . . . . 0.0 110.206 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.281 35.2 m -146.72 169.14 5.24 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.354 0 C-N-CA 127.248 2.219 . . . . 0.0 110.909 176.905 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -80.21 161.66 25.07 Favored 'General case' 1 N--CA 1.56 5.036 0 C-N-CA 126.654 1.982 . . . . 0.0 110.548 166.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.274 19.5 p80 -53.46 -50.73 64.67 Favored 'General case' 2 N--CA 1.604 7.265 0 C-N-CA 125.038 1.335 . . . . 0.0 114.312 177.033 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.3 p -56.06 -37.32 69.12 Favored 'General case' 2 N--CA 1.556 4.858 0 C-N-CA 127.562 2.345 . . . . 0.0 114.167 175.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.26 -23.75 62.04 Favored 'General case' 1 C--N 1.447 4.813 0 C-N-CA 129.015 2.926 . . . . 0.0 114.396 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.46 -29.52 17.9 Favored 'General case' 1 C--N 1.461 5.454 0 C-N-CA 126.54 1.936 . . . . 0.0 113.117 174.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -74.67 -40.8 47.79 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.828 0 C-N-CA 127.645 2.378 . . . . 0.0 110.566 173.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -61.39 -26.12 67.64 Favored 'General case' 2 N--CA 1.574 5.746 0 C-N-CA 129.37 3.068 . . . . 0.0 115.117 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.37 -27.79 62.62 Favored 'General case' 1 C--N 1.442 4.625 0 C-N-CA 128.212 2.605 . . . . 0.0 112.141 170.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -92.12 -31.23 15.59 Favored 'General case' 1 C--N 1.455 5.162 0 C-N-CA 127.822 2.449 . . . . 0.0 115.313 178.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -83.24 -24.97 32.1 Favored 'General case' 0 N--CA 1.53 3.528 0 C-N-CA 127.795 2.438 . . . . 0.0 113.003 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.392 10.7 pt-20 -72.86 -45.54 57.73 Favored 'General case' 2 N--CA 1.58 6.029 0 N-CA-C 118.856 2.91 . . . . 0.0 118.856 175.387 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -19.84 63.55 Favored 'General case' 3 C--N 1.451 5.003 0 C-N-CA 126.42 1.888 . . . . 0.0 115.502 -174.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.09 -34.61 1.94 Allowed Glycine 1 C--N 1.42 5.226 0 N-CA-C 122.385 3.714 . . . . 0.0 122.385 168.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -154.74 -32.24 0.1 Allowed 'General case' 0 N--CA 1.539 3.996 0 C-N-CA 127.025 2.13 . . . . 0.0 111.942 -169.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 1.621 ' CA ' ' CB ' ' A' ' 87' ' ' ILE 0.294 40.5 mm -129.47 105.15 12.02 Favored 'Isoleucine or valine' 2 C--N 1.435 4.318 0 C-N-CA 125.57 1.548 . . . . 0.0 109.003 -176.091 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.307 0.0 OUTLIER -113.08 120.06 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.431 0 O-C-N 125.673 1.858 . . . . 0.0 114.092 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.492 ' HB3' HG22 ' A' ' 11' ' ' THR 0.4 36.7 ptt180 -112.6 108.23 17.23 Favored 'General case' 1 N--CA 1.554 4.754 0 C-N-CA 126.3 1.84 . . . . 0.0 115.257 -177.163 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.42 141.82 32.75 Favored 'General case' 0 N--CA 1.53 3.546 0 C-N-CA 128.724 2.809 . . . . 0.0 113.895 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -119.31 112.6 19.65 Favored 'General case' 0 C--O 1.302 3.84 0 C-N-CA 126.624 1.97 . . . . 0.0 111.108 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.276 34.3 m -106.99 159.93 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.418 0 O-C-N 126.687 2.492 . . . . 0.0 115.319 -174.952 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.304 25.4 ptt? -124.02 117.82 25.6 Favored 'General case' 1 N--CA 1.566 5.368 0 C-N-CA 127.56 2.344 . . . . 0.0 114.495 -175.501 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 . . . . . 1 N--CA 1.54 4.052 0 C-N-CA 127.779 2.432 . . . . 0.0 110.234 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 70.6 m . . . . . 2 CA--C 1.649 4.771 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 2 N--CA 1.552 4.643 0 C-N-CA 127.112 2.165 . . . . 0.0 108.819 -174.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.329 10.1 pt-20 . . . . . 1 N--CA 1.547 4.383 0 CA-C-O 120.69 0.281 . . . . 0.0 111.356 . . . . . . . . . 2 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -95.44 145.68 24.98 Favored 'General case' 1 N--CA 1.558 4.926 0 C-N-CA 126.538 1.935 . . . . 0.0 114.061 -171.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -128.06 132.81 49.03 Favored 'General case' 2 C--N 1.445 4.745 0 C-N-CA 124.699 1.2 . . . . 0.0 111.3 -177.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.285 11.6 pt-20 -106.91 113.26 26.63 Favored 'General case' 0 N--CA 1.536 3.864 0 C-N-CA 126.627 1.971 . . . . 0.0 112.474 175.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mt -113.23 143.49 22.81 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.927 0 C-N-CA 125.414 1.486 . . . . 0.0 110.475 -177.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.261 0.5 OUTLIER -111.57 122.22 47.23 Favored 'General case' 0 N--CA 1.538 3.931 0 C-N-CA 127.005 2.122 . . . . 0.0 113.243 170.11 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.525 3.311 0 C-N-CA 127.676 2.39 . . . . 0.0 112.62 175.3 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.525 4.576 0 N-CA-C 115.953 1.141 . . . . 0.0 115.953 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -156.16 166.19 34.17 Favored 'General case' 1 C--N 1.44 4.503 0 C-N-CA 128.759 2.824 . . . . 0.0 108.958 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.547 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.1 m -132.59 145.36 51.04 Favored 'General case' 1 C--N 1.441 4.567 0 C-N-CA 124.402 1.081 . . . . 0.0 111.462 169.024 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.478 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.583 2.0 pp -120.0 125.43 74.25 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.687 0 N-CA-C 120.121 3.378 . . . . 0.0 120.121 -175.153 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.67 119.37 39.24 Favored 'General case' 1 C--N 1.44 4.529 0 CA-C-N 113.348 -1.751 . . . . 0.0 112.848 -175.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.25 161.5 27.68 Favored Glycine 0 C--N 1.389 3.506 0 C-N-CA 125.496 1.522 . . . . 0.0 113.809 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.76 151.83 8.73 Favored Glycine 1 N--CA 1.523 4.498 0 N-CA-C 117.086 1.594 . . . . 0.0 117.086 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.266 12.2 p -98.41 -39.63 8.68 Favored 'General case' 1 N--CA 1.567 5.412 0 C-N-CA 126.161 1.784 . . . . 0.0 113.685 169.894 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.82 -36.85 8.93 Favored 'General case' 1 C--N 1.43 4.07 0 C-N-CA 126.19 1.796 . . . . 0.0 112.771 175.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 2 C--N 1.448 4.883 0 C-N-CA 127.184 2.194 . . . . 0.0 111.474 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.6 p . . . . . 1 N--CA 1.567 5.391 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 1.585 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.254 0.5 OUTLIER -99.66 129.23 50.54 Favored 'Isoleucine or valine' 3 C--N 1.446 4.762 0 C-N-CA 126.024 1.729 . . . . 0.0 109.916 -179.427 . . . . . . . . 5 4 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -132.66 156.83 46.25 Favored 'General case' 2 N--CA 1.549 4.508 0 C-N-CA 128.227 2.611 . . . . 0.0 111.457 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.476 ' HB ' ' HA ' ' A' ' 57' ' ' VAL . 1.8 mm -84.23 144.61 9.53 Favored 'Isoleucine or valine' 2 C--N 1.463 5.514 0 C-N-CA 125.86 1.664 . . . . 0.0 109.491 169.293 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.274 2.6 p -146.01 -28.39 0.42 Allowed 'General case' 1 N--CA 1.558 4.93 0 C-N-CA 127.667 2.387 . . . . 0.0 113.273 -177.804 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.273 51.9 tptt -121.58 127.26 50.73 Favored 'General case' 1 C--N 1.463 5.519 0 C-N-CA 124.573 1.149 . . . . 0.0 113.1 177.853 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.624 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 42.9 mm -126.64 125.56 67.28 Favored 'Isoleucine or valine' 0 C--N 1.412 3.322 0 C-N-CA 127.442 2.297 . . . . 0.0 108.133 171.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.566 ' CA ' ' CB ' ' A' ' 44' ' ' ILE 0.29 2.9 mp -81.4 127.72 72.5 Favored Pre-proline 2 CA--C 1.681 5.999 0 C-N-CA 127.246 2.219 . . . . 0.0 110.424 172.461 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -62.86 -21.75 73.34 Favored 'Trans proline' 3 C--N 1.541 10.683 0 C-N-CA 124.347 3.364 . . . . 0.0 117.74 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.48 36.74 2.4 Favored Glycine 1 C--N 1.428 5.664 0 CA-C-O 117.941 -1.477 . . . . 0.0 116.221 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.79 -178.75 40.66 Favored Glycine 3 C--N 1.447 6.736 0 C-N-CA 124.971 1.272 . . . . 0.0 116.005 173.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.13 -37.57 28.64 Favored 'General case' 0 N--CA 1.535 3.795 0 C-N-CA 128.584 2.753 . . . . 0.0 115.616 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.65 -19.5 41.59 Favored 'General case' 2 N--CA 1.562 5.161 0 C-N-CA 126.816 2.047 . . . . 0.0 116.269 176.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.64 -42.13 12.2 Favored 'General case' 1 C--N 1.442 4.63 0 C-N-CA 127.46 2.304 . . . . 0.0 113.543 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.33 -55.48 3.58 Favored 'General case' 2 C--N 1.452 5.027 0 C-N-CA 126.849 2.06 . . . . 0.0 114.09 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.23 -24.16 19.97 Favored 'General case' 2 C--N 1.457 5.254 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -178.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.44 -43.15 5.31 Favored Glycine 2 C--N 1.439 6.289 0 N-CA-C 117.602 1.801 . . . . 0.0 117.602 -174.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.429 95.1 mtt180 90.27 10.96 0.06 Allowed 'General case' 2 N--CA 1.603 7.177 0 C-N-CA 130.384 3.474 . . . . 0.0 116.244 179.828 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.42 125.25 32.85 Favored 'General case' 1 C--N 1.436 4.368 0 C-N-CA 126.83 2.052 . . . . 0.0 113.905 179.311 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -111.66 161.32 16.37 Favored 'General case' 0 N--CA 1.533 3.677 0 C-N-CA 128.624 2.77 . . . . 0.0 111.175 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.568 HG13 HG12 ' A' ' 43' ' ' ILE 0.29 4.2 m -51.41 -30.62 10.88 Favored 'Isoleucine or valine' 2 N--CA 1.626 8.366 0 C-N-CA 128.116 2.567 . . . . 0.0 116.438 176.196 . . . . . . . . 4 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.276 3.2 p-10 -90.09 7.79 36.02 Favored 'General case' 1 CA--C 1.652 4.896 0 C-N-CA 128.679 2.792 . . . . 0.0 113.637 -177.931 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.36 -37.4 14.04 Favored 'General case' 2 C--N 1.49 6.693 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 178.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.263 23.2 t 46.76 120.98 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.413 0 C-N-CA 129.517 3.127 . . . . 0.0 116.043 177.247 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 mt -86.47 125.37 40.75 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.936 0 C-N-CA 124.761 1.224 . . . . 0.0 109.628 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.253 1.4 pt? -93.54 -45.27 7.82 Favored 'General case' 0 C--N 1.424 3.815 0 O-C-N 125.395 1.684 . . . . 0.0 112.151 169.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -130.6 130.1 43.59 Favored 'General case' 1 C--N 1.447 4.838 0 O-C-N 125.126 1.517 . . . . 0.0 113.403 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.462 HG12 HD21 ' A' ' 81' ' ' LEU 0.338 0.1 OUTLIER -120.92 132.51 70.22 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.681 0 O-C-N 123.435 0.459 . . . . 0.0 109.852 176.697 . . . . . . . . 5 4 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 72.58 1.48 4.0 Favored 'General case' 3 N--CA 1.612 7.635 0 C-N-CA 129.961 3.304 . . . . 0.0 112.23 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.388 47.4 mt-10 89.17 5.51 0.15 Allowed 'General case' 3 N--CA 1.585 6.302 0 C-N-CA 131.013 3.725 . . . . 0.0 112.076 -160.635 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.386 3.3 m -85.75 153.24 3.5 Favored 'Isoleucine or valine' 1 C--N 1.471 5.871 0 C-N-CA 127.565 2.346 . . . . 0.0 113.15 -179.721 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.444 4.4 p-10 -86.98 93.1 9.25 Favored 'General case' 0 C--N 1.399 2.722 0 O-C-N 126.237 2.211 . . . . 0.0 114.337 -174.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.416 HG11 HG12 ' A' ' 38' ' ' ILE 0.345 1.0 OUTLIER -92.29 -7.45 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.626 3.888 0 C-N-CA 127.81 2.444 . . . . 0.0 113.383 179.092 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -62.79 -13.5 34.01 Favored 'General case' 2 CA--C 1.673 5.707 0 C-N-CA 128.277 2.631 . . . . 0.0 113.835 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -158.96 78.31 0.76 Allowed 'General case' 2 C--N 1.457 5.272 0 C-N-CA 127.597 2.359 . . . . 0.0 108.045 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.255 35.1 m -145.54 163.33 11.69 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.571 0 C-N-CA 127.69 2.396 . . . . 0.0 110.745 178.999 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.47 163.46 26.32 Favored 'General case' 1 N--CA 1.56 5.06 0 C-N-CA 126.475 1.91 . . . . 0.0 112.065 165.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -47.25 -58.16 4.4 Favored 'General case' 4 N--CA 1.578 5.949 0 C-N-CA 129.214 3.006 . . . . 0.0 112.792 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.4 t -63.49 -30.55 71.65 Favored 'General case' 2 C--N 1.455 5.16 0 C-N-CA 126.571 1.948 . . . . 0.0 112.712 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.74 -22.37 58.84 Favored 'General case' 1 C--N 1.458 5.309 0 C-N-CA 128.371 2.668 . . . . 0.0 114.012 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.1 -29.06 18.58 Favored 'General case' 1 C--N 1.469 5.788 0 C-N-CA 125.719 1.608 . . . . 0.0 112.788 172.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.8 t -72.41 -38.84 61.82 Favored 'Isoleucine or valine' 3 N--CA 1.605 7.325 0 C-N-CA 127.152 2.181 . . . . 0.0 110.213 170.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -57.3 -24.57 55.8 Favored 'General case' 2 N--CA 1.561 5.106 0 C-N-CA 129.275 3.03 . . . . 0.0 115.67 176.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.95 -27.59 57.6 Favored 'General case' 1 C--N 1.432 4.178 0 C-N-CA 127.377 2.271 . . . . 0.0 111.584 176.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.462 HD21 HG12 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -92.95 -35.24 13.41 Favored 'General case' 1 C--N 1.442 4.605 0 C-N-CA 129.584 3.154 . . . . 0.0 112.92 -178.787 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -84.38 -28.71 26.78 Favored 'General case' 1 C--N 1.431 4.134 0 C-N-CA 127.441 2.297 . . . . 0.0 114.148 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.376 9.4 pt-20 -69.06 -43.68 74.12 Favored 'General case' 2 N--CA 1.582 6.14 0 N-CA-C 118.215 2.672 . . . . 0.0 118.215 176.487 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -17.56 64.14 Favored 'General case' 2 C--N 1.451 5.019 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 -174.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.32 -34.94 1.76 Allowed Glycine 1 C--N 1.421 5.271 0 N-CA-C 122.523 3.769 . . . . 0.0 122.523 168.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 t -151.84 -36.84 0.12 Allowed 'General case' 0 N--CA 1.531 3.621 0 C-N-CA 127.308 2.243 . . . . 0.0 111.289 -169.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.28 43.0 mm -129.35 122.46 55.82 Favored 'Isoleucine or valine' 2 C--N 1.441 4.544 0 C-N-CA 125.214 1.406 . . . . 0.0 109.548 -179.328 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.399 18.8 m -118.59 121.27 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.97 0 C-N-CA 126.953 2.101 . . . . 0.0 113.038 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.39 13.7 ptm180 -109.17 99.35 8.65 Favored 'General case' 1 N--CA 1.546 4.353 0 C-N-CA 126.054 1.742 . . . . 0.0 113.94 -179.355 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -99.05 139.9 34.01 Favored 'General case' 0 N--CA 1.527 3.399 0 C-N-CA 127.901 2.48 . . . . 0.0 113.742 -176.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -119.01 112.55 19.71 Favored 'General case' 1 C--O 1.312 4.364 0 C-N-CA 126.536 1.934 . . . . 0.0 111.207 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.5 m -106.18 159.1 6.26 Favored 'Isoleucine or valine' 2 N--CA 1.556 4.871 0 O-C-N 127.165 2.791 . . . . 0.0 115.207 -176.444 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 25.5 ptt? -119.79 110.87 17.28 Favored 'General case' 1 N--CA 1.556 4.857 0 C-N-CA 127.792 2.437 . . . . 0.0 113.709 -176.759 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 . . . . . 0 CA--C 1.623 3.763 0 C-N-CA 127.382 2.273 . . . . 0.0 109.057 -178.649 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.478 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 62.5 m . . . . . 2 N--CA 1.561 5.12 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 2 C--N 1.452 5.027 0 C-N-CA 126.792 2.037 . . . . 0.0 107.069 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.387 10.5 pt-20 . . . . . 1 N--CA 1.559 4.98 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 . . . . . . . . . 2 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.86 140.88 31.58 Favored 'General case' 1 N--CA 1.552 4.659 0 C-N-CA 125.839 1.656 . . . . 0.0 113.446 -174.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -125.28 129.49 50.12 Favored 'General case' 1 C--N 1.434 4.261 0 O-C-N 124.694 1.246 . . . . 0.0 111.028 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.292 10.9 pt-20 -107.06 111.77 24.39 Favored 'General case' 0 N--CA 1.531 3.577 0 C-N-CA 126.846 2.058 . . . . 0.0 113.202 178.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mt -114.81 135.96 53.0 Favored 'Isoleucine or valine' 2 N--CA 1.552 4.644 0 C-N-CA 125.34 1.456 . . . . 0.0 109.77 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -117.46 121.19 40.36 Favored 'General case' 0 CA--C 1.619 3.616 0 C-N-CA 127.252 2.221 . . . . 0.0 108.264 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.2 mt . . . . . 0 N--CA 1.531 3.618 0 C-N-CA 127.922 2.489 . . . . 0.0 112.416 179.852 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.014 0 CA-C-O 119.327 -0.707 . . . . 0.0 114.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -156.84 168.46 27.38 Favored 'General case' 2 C--N 1.442 4.613 0 C-N-CA 129.071 2.948 . . . . 0.0 108.832 177.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.422 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 67.8 m -135.55 145.42 46.98 Favored 'General case' 1 C--N 1.446 4.788 0 C-N-CA 124.946 1.298 . . . . 0.0 110.586 169.229 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.515 2.3 pp -121.78 126.94 75.29 Favored 'Isoleucine or valine' 2 N--CA 1.572 5.663 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -174.72 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.23 117.05 33.12 Favored 'General case' 1 C--N 1.437 4.378 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.608 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.15 156.44 28.35 Favored Glycine 1 N--CA 1.516 4.022 0 C-N-CA 126.165 1.84 . . . . 0.0 113.068 -174.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.39 150.39 7.9 Favored Glycine 1 C--N 1.401 4.181 0 N-CA-C 118.277 2.071 . . . . 0.0 118.277 -170.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 p -102.57 -41.95 6.09 Favored 'General case' 1 N--CA 1.557 4.903 0 C-N-CA 126.412 1.885 . . . . 0.0 113.087 165.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -102.57 -31.98 10.14 Favored 'General case' 1 C--N 1.433 4.197 0 C-N-CA 126.506 1.922 . . . . 0.0 113.28 177.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 2 CA--C 1.653 4.927 0 C-N-CA 126.94 2.096 . . . . 0.0 112.45 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.5 p . . . . . 1 N--CA 1.558 4.939 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.288 0.8 OUTLIER -94.54 113.2 28.58 Favored 'Isoleucine or valine' 3 C--N 1.449 4.924 0 C-N-CA 125.67 1.588 . . . . 0.0 109.081 -178.9 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -119.42 146.84 45.02 Favored 'General case' 0 N--CA 1.538 3.968 0 C-N-CA 129.426 3.09 . . . . 0.0 112.151 -168.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.76 139.88 16.66 Favored 'Isoleucine or valine' 2 C--N 1.45 4.949 0 C-N-CA 125.657 1.583 . . . . 0.0 109.966 175.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -141.3 -35.88 0.46 Allowed 'General case' 0 CA--C 1.619 3.629 0 C-N-CA 127.5 2.32 . . . . 0.0 109.89 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 7.7 tmtm? -125.95 128.69 47.9 Favored 'General case' 1 C--N 1.467 5.678 0 O-C-N 123.977 0.798 . . . . 0.0 111.468 -177.404 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.638 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.276 46.9 mm -124.7 128.5 73.43 Favored 'Isoleucine or valine' 0 C--N 1.415 3.415 0 C-N-CA 126.921 2.089 . . . . 0.0 108.731 174.286 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.293 3.1 mp -83.54 131.58 52.09 Favored Pre-proline 2 CA--C 1.68 5.946 0 C-N-CA 126.547 1.939 . . . . 0.0 110.768 173.317 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.64 -21.59 65.22 Favored 'Trans proline' 3 C--N 1.539 10.592 0 C-N-CA 124.24 3.293 . . . . 0.0 117.654 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.0 40.06 1.7 Allowed Glycine 1 C--N 1.428 5.668 0 CA-C-O 118.112 -1.382 . . . . 0.0 115.899 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.6 -177.54 39.85 Favored Glycine 2 C--N 1.442 6.45 0 C-N-CA 125.382 1.468 . . . . 0.0 116.28 174.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.63 -38.28 29.52 Favored 'General case' 0 N--CA 1.538 3.941 0 C-N-CA 128.946 2.898 . . . . 0.0 115.271 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.51 -25.48 35.91 Favored 'General case' 2 C--N 1.448 4.876 0 C-N-CA 126.944 2.098 . . . . 0.0 115.934 176.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.32 -42.52 17.02 Favored 'General case' 1 C--N 1.446 4.785 0 C-N-CA 127.208 2.203 . . . . 0.0 113.638 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -90.82 -55.29 3.62 Favored 'General case' 1 C--N 1.451 4.988 0 C-N-CA 127.277 2.231 . . . . 0.0 115.131 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.87 -34.35 15.29 Favored 'General case' 1 C--N 1.46 5.407 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -173.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.42 -48.03 4.42 Favored Glycine 2 C--N 1.441 6.381 0 N-CA-C 117.287 1.675 . . . . 0.0 117.287 -174.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.59 97.3 mtt180 87.25 57.71 0.01 OUTLIER 'General case' 2 N--CA 1.572 5.674 0 C-N-CA 130.582 3.553 . . . . 0.0 116.728 -178.943 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp -110.79 132.09 54.49 Favored 'General case' 0 C--N 1.415 3.443 0 C-N-CA 128.075 2.55 . . . . 0.0 111.46 171.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.28 153.99 25.12 Favored 'General case' 0 N--CA 1.526 3.374 0 C-N-CA 127.686 2.394 . . . . 0.0 110.214 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.484 HG22 HG12 ' A' ' 43' ' ' ILE . 4.1 p -57.12 -26.53 25.36 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.142 0 C-N-CA 128.593 2.757 . . . . 0.0 115.952 -179.815 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -91.94 9.56 32.51 Favored 'General case' 1 CA--C 1.673 5.683 0 C-N-CA 129.11 2.964 . . . . 0.0 112.316 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.14 -35.34 18.69 Favored 'General case' 2 C--N 1.489 6.648 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m 47.36 125.01 0.0 OUTLIER 'General case' 2 N--CA 1.591 6.6 0 C-N-CA 129.236 3.014 . . . . 0.0 116.231 178.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -89.57 126.1 42.52 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.94 0 C-N-CA 124.216 1.006 . . . . 0.0 110.197 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.264 1.5 pt? -91.17 -43.94 9.55 Favored 'General case' 1 C--N 1.436 4.353 0 C-N-CA 124.946 1.298 . . . . 0.0 112.347 169.848 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -131.19 132.01 44.41 Favored 'General case' 2 C--N 1.447 4.838 0 O-C-N 125.161 1.538 . . . . 0.0 113.918 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.291 21.6 t -113.73 136.83 48.93 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.108 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.64 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.311 38.4 m-80 74.59 -80.88 0.03 OUTLIER 'General case' 2 N--CA 1.591 6.607 0 C-N-CA 128.737 2.815 . . . . 0.0 111.506 -177.846 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -157.75 8.78 0.16 Allowed 'General case' 1 CA--C 1.639 4.387 1 C-N-CA 134.632 5.173 . . . . 0.0 106.747 170.426 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.371 25.2 m -102.52 156.04 4.97 Favored 'Isoleucine or valine' 1 C--N 1.465 5.588 0 C-N-CA 127.713 2.405 . . . . 0.0 115.339 -167.361 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -85.77 103.33 14.44 Favored 'General case' 0 C--N 1.412 3.292 0 C-N-CA 127.86 2.464 . . . . 0.0 111.469 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.452 29.5 m -97.15 -12.7 8.3 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.046 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 174.561 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.284 16.2 ptm180 -44.3 -27.65 0.45 Allowed 'General case' 2 N--CA 1.585 6.279 0 C-N-CA 129.105 2.962 . . . . 0.0 117.841 179.44 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -149.27 76.41 1.32 Allowed 'General case' 1 C--N 1.439 4.493 0 C-N-CA 129.867 3.267 . . . . 0.0 108.865 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.288 19.4 m -141.06 159.94 23.1 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.473 0 C-N-CA 126.758 2.023 . . . . 0.0 110.596 177.598 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 p -76.84 161.7 28.23 Favored 'General case' 1 N--CA 1.56 5.068 0 C-N-CA 126.4 1.88 . . . . 0.0 112.205 166.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -46.87 -56.61 6.03 Favored 'General case' 3 N--CA 1.576 5.846 0 C-N-CA 129.009 2.924 . . . . 0.0 112.785 174.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m -61.79 -34.18 75.43 Favored 'General case' 2 C--N 1.456 5.206 0 C-N-CA 126.536 1.934 . . . . 0.0 113.503 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.06 -22.34 63.07 Favored 'General case' 1 C--N 1.457 5.243 0 C-N-CA 128.46 2.704 . . . . 0.0 114.236 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -35.78 14.91 Favored 'General case' 1 C--N 1.463 5.54 0 C-N-CA 126.544 1.937 . . . . 0.0 112.728 174.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.37 -40.41 56.45 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.57 0 C-N-CA 127.231 2.213 . . . . 0.0 111.709 177.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.6 mt-10 -63.19 -20.1 65.11 Favored 'General case' 1 N--CA 1.598 6.958 0 C-N-CA 128.271 2.628 . . . . 0.0 115.381 177.329 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.62 -28.81 56.24 Favored 'General case' 1 CA--C 1.636 4.253 0 C-N-CA 126.279 1.831 . . . . 0.0 112.067 167.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.97 -32.99 14.33 Favored 'General case' 2 C--N 1.46 5.381 0 C-N-CA 126.812 2.045 . . . . 0.0 116.247 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -86.38 -38.49 17.36 Favored 'General case' 1 N--CA 1.546 4.328 0 C-N-CA 127.044 2.138 . . . . 0.0 114.351 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.255 39.1 mt-10 -90.42 -15.59 30.64 Favored 'General case' 2 N--CA 1.583 6.196 0 N-CA-C 119.737 3.236 . . . . 0.0 119.737 -175.871 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.74 -22.45 46.72 Favored 'General case' 3 N--CA 1.596 6.829 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.03 -34.71 5.27 Favored Glycine 1 C--N 1.43 5.751 0 N-CA-C 119.046 2.378 . . . . 0.0 119.046 166.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.2 p -174.79 -34.56 0.01 OUTLIER 'General case' 1 N--CA 1.562 5.147 0 C-N-CA 128.753 2.821 . . . . 0.0 112.933 -173.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.261 46.0 mm -118.57 121.4 66.93 Favored 'Isoleucine or valine' 0 C--N 1.423 3.762 0 C-N-CA 126.337 1.855 . . . . 0.0 109.019 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.341 17.9 m -127.49 121.12 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.577 0 C-N-CA 127.467 2.307 . . . . 0.0 112.768 179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -108.42 137.15 46.86 Favored 'General case' 0 N--CA 1.538 3.932 0 C-N-CA 126.104 1.762 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 pp -125.05 137.42 54.21 Favored 'General case' 0 N--CA 1.522 3.165 0 C-N-CA 127.855 2.462 . . . . 0.0 112.845 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -117.81 111.6 19.28 Favored 'General case' 0 C--O 1.298 3.634 0 C-N-CA 126.492 1.917 . . . . 0.0 110.606 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 33.3 m -106.71 159.44 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.383 0 O-C-N 126.617 2.448 . . . . 0.0 115.298 -174.748 . . . . . . . . 3 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.364 0.0 OUTLIER -124.28 109.14 13.0 Favored 'General case' 2 N--CA 1.557 4.882 0 C-N-CA 126.255 1.822 . . . . 0.0 113.429 -178.022 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.328 17.1 ptm180 . . . . . 1 N--CA 1.559 4.982 0 C-N-CA 126.06 1.744 . . . . 0.0 113.452 179.903 . . . . . . . . 2 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.404 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 66.8 m . . . . . 2 N--CA 1.547 4.378 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 2 C--N 1.449 4.913 0 C-N-CA 127.221 2.209 . . . . 0.0 107.323 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.379 11.0 pt-20 . . . . . 1 N--CA 1.548 4.445 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 . . . . . . . . . 2 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -103.24 143.66 32.35 Favored 'General case' 1 N--CA 1.546 4.337 0 C-N-CA 126.547 1.939 . . . . 0.0 112.921 -177.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -127.59 129.3 47.05 Favored 'General case' 1 C--N 1.433 4.237 0 C-N-CA 124.689 1.196 . . . . 0.0 110.964 -177.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.293 11.6 pt-20 -104.42 111.64 24.37 Favored 'General case' 0 N--CA 1.535 3.807 0 C-N-CA 126.248 1.819 . . . . 0.0 112.4 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mt -115.39 139.8 40.02 Favored 'Isoleucine or valine' 2 N--CA 1.546 4.358 0 C-N-CA 124.977 1.311 . . . . 0.0 109.076 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -119.11 124.64 47.37 Favored 'General case' 1 N--CA 1.542 4.167 0 C-N-CA 126.397 1.879 . . . . 0.0 108.714 176.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.52 3.049 0 C-N-CA 127.524 2.329 . . . . 0.0 112.748 179.494 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.519 4.227 0 N-CA-C 117.065 1.586 . . . . 0.0 117.065 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -156.5 171.96 19.37 Favored 'General case' 1 C--N 1.444 4.682 0 C-N-CA 127.654 2.382 . . . . 0.0 109.578 175.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -137.63 145.67 43.0 Favored 'General case' 1 C--N 1.441 4.557 0 C-N-CA 125.475 1.51 . . . . 0.0 110.757 168.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.488 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.58 2.2 pp -118.52 128.42 75.46 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.12 0 N-CA-C 119.301 3.075 . . . . 0.0 119.301 -175.236 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.24 117.68 34.81 Favored 'General case' 1 C--N 1.441 4.557 0 CA-C-N 112.904 -1.953 . . . . 0.0 110.673 -177.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.72 160.88 31.87 Favored Glycine 1 N--CA 1.518 4.122 0 C-N-CA 125.539 1.543 . . . . 0.0 113.644 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.29 135.07 2.07 Favored Glycine 1 C--N 1.411 4.743 0 N-CA-C 119.645 2.618 . . . . 0.0 119.645 -174.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.279 11.8 p -104.15 -36.06 7.82 Favored 'General case' 1 N--CA 1.553 4.718 0 C-N-CA 125.76 1.624 . . . . 0.0 112.883 162.21 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -107.48 -35.75 6.67 Favored 'General case' 1 C--N 1.436 4.362 0 C-N-CA 125.453 1.501 . . . . 0.0 113.164 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 . . . . . 2 C--N 1.443 4.655 0 C-N-CA 127.055 2.142 . . . . 0.0 113.79 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p . . . . . 1 N--CA 1.553 4.689 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.291 0.5 OUTLIER -93.66 118.98 40.75 Favored 'Isoleucine or valine' 2 C--N 1.451 5.017 0 C-N-CA 125.551 1.54 . . . . 0.0 109.697 -177.957 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -129.19 150.15 50.69 Favored 'General case' 0 N--CA 1.529 3.503 0 C-N-CA 129.283 3.033 . . . . 0.0 111.463 -170.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.544 ' HB ' ' HA ' ' A' ' 57' ' ' VAL . 1.3 mm -87.36 144.21 9.73 Favored 'Isoleucine or valine' 2 N--CA 1.551 4.604 0 C-N-CA 126.168 1.787 . . . . 0.0 110.101 175.219 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.372 10.5 p -147.77 -26.14 0.36 Allowed 'General case' 1 N--CA 1.556 4.844 0 C-N-CA 127.453 2.301 . . . . 0.0 114.207 178.857 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -121.68 124.16 43.61 Favored 'General case' 1 C--N 1.476 6.082 0 CA-C-N 118.514 0.597 . . . . 0.0 111.371 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.638 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.275 42.5 mm -123.38 129.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.412 3.296 0 C-N-CA 127.101 2.16 . . . . 0.0 108.238 173.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.286 3.2 mp -85.67 129.7 53.79 Favored Pre-proline 1 CA--C 1.682 6.039 0 C-N-CA 126.239 1.816 . . . . 0.0 109.892 173.102 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.88 -20.69 72.01 Favored 'Trans proline' 3 C--N 1.537 10.477 0 C-N-CA 124.449 3.433 . . . . 0.0 118.002 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.6 37.67 2.2 Favored Glycine 1 C--N 1.43 5.77 0 CA-C-O 117.889 -1.506 . . . . 0.0 116.581 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.13 -179.01 40.11 Favored Glycine 3 C--N 1.443 6.519 0 C-N-CA 124.923 1.249 . . . . 0.0 116.01 172.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.11 -37.41 28.96 Favored 'General case' 0 N--CA 1.538 3.959 0 C-N-CA 128.732 2.813 . . . . 0.0 115.533 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.4 -23.03 37.86 Favored 'General case' 2 C--N 1.445 4.729 0 C-N-CA 127.368 2.267 . . . . 0.0 115.659 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.79 -42.45 14.18 Favored 'General case' 1 C--N 1.446 4.801 0 C-N-CA 127.359 2.264 . . . . 0.0 113.586 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -90.81 -55.51 3.54 Favored 'General case' 1 C--N 1.449 4.913 0 C-N-CA 127.136 2.174 . . . . 0.0 114.805 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.91 -32.24 16.08 Favored 'General case' 1 C--N 1.459 5.336 0 N-CA-C 117.363 2.357 . . . . 0.0 117.363 -174.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.46 -48.84 4.12 Favored Glycine 2 C--N 1.443 6.478 0 N-CA-C 117.642 1.817 . . . . 0.0 117.642 -174.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.538 79.0 mtp180 88.05 55.92 0.01 OUTLIER 'General case' 2 N--CA 1.579 5.997 0 C-N-CA 130.52 3.528 . . . . 0.0 116.043 -178.546 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tp -110.78 132.8 53.89 Favored 'General case' 0 C--N 1.421 3.675 0 C-N-CA 127.978 2.511 . . . . 0.0 111.643 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . 0.267 40.8 ptt180 -112.21 164.62 12.99 Favored 'General case' 0 CA--C 1.613 3.391 0 C-N-CA 127.487 2.315 . . . . 0.0 112.49 172.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.558 HG12 HG12 ' A' ' 43' ' ' ILE 0.276 3.2 m -57.02 -30.5 34.19 Favored 'Isoleucine or valine' 1 N--CA 1.62 8.034 0 C-N-CA 127.208 2.203 . . . . 0.0 114.771 168.098 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -90.85 -0.91 57.85 Favored 'General case' 1 CA--C 1.664 5.338 0 C-N-CA 129.231 3.012 . . . . 0.0 111.669 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.279 1.5 m-20 -77.14 -39.12 50.4 Favored 'General case' 2 C--N 1.51 7.572 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 175.277 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t 45.63 117.44 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.752 0 C-N-CA 129.362 3.065 . . . . 0.0 115.486 177.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.472 HG23 HG23 ' A' ' 64' ' ' VAL . 4.2 mt -85.57 128.29 39.31 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.175 0 C-N-CA 124.735 1.214 . . . . 0.0 110.488 -175.476 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.262 1.3 pt? -94.33 -43.03 8.6 Favored 'General case' 0 C--N 1.425 3.854 0 O-C-N 125.091 1.494 . . . . 0.0 112.913 169.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.44 120.37 22.92 Favored 'General case' 1 C--N 1.447 4.823 0 O-C-N 124.925 1.391 . . . . 0.0 112.97 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 67' ' ' VAL 0.369 7.5 p -120.58 129.0 76.08 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.384 0 O-C-N 123.724 0.64 . . . . 0.0 112.615 -176.21 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 t30 74.55 3.91 4.34 Favored 'General case' 3 N--CA 1.627 8.392 0 C-N-CA 128.903 2.881 . . . . 0.0 110.981 -170.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.325 21.2 tt0 82.13 19.67 0.32 Allowed 'General case' 3 CA--C 1.674 5.713 1 C-N-CA 131.891 4.076 . . . . 0.0 109.954 -162.57 . . . . . . . . 4 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 64' ' ' VAL 0.357 5.4 m -94.92 154.05 3.42 Favored 'Isoleucine or valine' 1 C--N 1.477 6.132 0 C-N-CA 126.266 1.827 . . . . 0.0 112.921 -178.523 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.435 4.4 p-10 -83.13 93.09 7.56 Favored 'General case' 0 C--N 1.406 3.061 0 O-C-N 126.152 2.157 . . . . 0.0 114.54 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.468 27.7 m -94.85 -3.49 10.61 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.065 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 178.468 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -47.85 -27.66 2.2 Favored 'General case' 2 N--CA 1.595 6.807 0 C-N-CA 128.47 2.708 . . . . 0.0 116.341 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -150.87 81.7 1.33 Allowed 'General case' 1 C--N 1.452 5.05 0 C-N-CA 130.149 3.38 . . . . 0.0 109.305 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 1.578 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.271 22.1 m -141.94 169.03 14.22 Favored 'Isoleucine or valine' 1 N--CA 1.57 5.533 0 C-N-CA 126.316 1.846 . . . . 0.0 109.588 175.337 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 p -81.69 164.53 21.72 Favored 'General case' 1 N--CA 1.564 5.228 0 C-N-CA 127.957 2.503 . . . . 0.0 110.115 167.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.267 56.6 p-80 -53.02 -50.33 64.46 Favored 'General case' 3 N--CA 1.601 7.083 0 C-N-CA 125.102 1.361 . . . . 0.0 113.325 177.763 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.9 t -60.3 -31.3 70.14 Favored 'General case' 1 C--N 1.444 4.685 0 C-N-CA 127.639 2.375 . . . . 0.0 113.31 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.92 -20.05 50.29 Favored 'General case' 1 C--N 1.479 6.204 0 C-N-CA 126.885 2.074 . . . . 0.0 112.898 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.41 -33.41 19.1 Favored 'General case' 1 C--N 1.466 5.672 0 C-N-CA 126.71 2.004 . . . . 0.0 112.508 170.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.12 -39.28 73.82 Favored 'Isoleucine or valine' 3 N--CA 1.599 7.018 0 C-N-CA 127.725 2.41 . . . . 0.0 111.483 175.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.13 -13.77 50.35 Favored 'General case' 1 N--CA 1.592 6.67 0 C-N-CA 129.957 3.303 . . . . 0.0 115.347 175.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.99 -29.38 25.08 Favored 'General case' 0 CA--C 1.627 3.914 0 C-N-CA 126.79 2.036 . . . . 0.0 112.336 165.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.481 ' HA ' HG11 ' A' ' 88' ' ' VAL . 2.1 mt -92.37 -32.8 14.83 Favored 'General case' 2 C--N 1.462 5.48 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -90.35 -35.91 14.95 Favored 'General case' 1 N--CA 1.547 4.383 0 C-N-CA 126.958 2.103 . . . . 0.0 113.998 -174.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -78.88 -26.06 43.89 Favored 'General case' 2 CA--C 1.636 4.262 0 C-N-CA 128.414 2.685 . . . . 0.0 116.73 -178.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.07 -23.21 64.93 Favored 'General case' 2 C--N 1.464 5.546 0 CA-C-N 119.491 1.041 . . . . 0.0 113.747 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.23 -34.69 3.03 Favored Glycine 1 C--N 1.426 5.551 0 N-CA-C 121.747 3.459 . . . . 0.0 121.747 168.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.6 t -153.93 -34.39 0.11 Allowed 'General case' 0 N--CA 1.532 3.642 0 C-N-CA 127.044 2.138 . . . . 0.0 111.996 -169.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.295 39.1 mm -128.99 110.0 19.94 Favored 'Isoleucine or valine' 2 C--N 1.442 4.608 0 C-N-CA 125.008 1.323 . . . . 0.0 109.555 -175.302 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.274 0.0 OUTLIER -119.98 126.21 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.47 0 O-C-N 125.747 1.904 . . . . 0.0 113.569 -179.402 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.368 38.2 ptt180 -113.88 106.37 14.37 Favored 'General case' 1 N--CA 1.561 5.105 0 C-N-CA 126.143 1.777 . . . . 0.0 114.91 -176.587 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.8 140.54 34.94 Favored 'General case' 0 N--CA 1.533 3.687 0 C-N-CA 127.103 2.161 . . . . 0.0 114.389 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.87 111.16 17.19 Favored 'General case' 0 C--O 1.298 3.651 0 C-N-CA 126.587 1.955 . . . . 0.0 111.049 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 33.5 m -106.51 161.23 5.77 Favored 'Isoleucine or valine' 2 N--CA 1.57 5.535 0 O-C-N 126.659 2.474 . . . . 0.0 115.577 -175.038 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.277 19.0 ptp -120.78 122.06 39.53 Favored 'General case' 1 N--CA 1.57 5.556 0 C-N-CA 127.525 2.33 . . . . 0.0 114.087 -176.095 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 N--CA 1.538 3.945 0 C-N-CA 127.659 2.384 . . . . 0.0 110.651 177.411 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.488 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 69.7 m . . . . . 1 CA--C 1.635 4.243 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.284 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 C--N 1.445 4.725 0 C-N-CA 126.76 2.024 . . . . 0.0 108.5 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.372 10.8 pt-20 . . . . . 1 N--CA 1.546 4.37 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 . . . . . . . . . 2 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -104.03 141.24 36.54 Favored 'General case' 1 N--CA 1.542 4.146 0 C-N-CA 126.186 1.794 . . . . 0.0 112.833 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -126.79 127.35 44.89 Favored 'General case' 1 C--N 1.428 4.021 0 O-C-N 124.617 1.198 . . . . 0.0 111.353 -176.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.304 11.4 pt-20 -103.62 109.94 21.81 Favored 'General case' 0 C--N 1.42 3.654 0 C-N-CA 126.33 1.852 . . . . 0.0 112.514 174.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 mt -112.36 138.66 40.56 Favored 'Isoleucine or valine' 2 N--CA 1.551 4.602 0 C-N-CA 125.116 1.366 . . . . 0.0 109.424 -178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -119.53 123.68 44.57 Favored 'General case' 1 N--CA 1.54 4.041 0 C-N-CA 126.433 1.893 . . . . 0.0 108.811 176.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.523 3.21 0 C-N-CA 128.123 2.569 . . . . 0.0 113.783 -179.782 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.789 0 CA-C-O 119.054 -0.859 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -58.96 167.01 1.76 Allowed 'General case' 1 N--CA 1.566 5.328 0 C-N-CA 131.7 4.0 . . . . 0.0 112.8 -165.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.553 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.3 m -129.94 136.28 49.29 Favored 'General case' 1 C--N 1.435 4.322 0 CA-C-N 119.312 0.96 . . . . 0.0 112.547 175.002 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.641 2.3 pp -116.59 124.72 73.04 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.084 0 N-CA-C 119.648 3.203 . . . . 0.0 119.648 -176.927 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.65 118.4 36.7 Favored 'General case' 1 C--N 1.435 4.325 0 CA-C-N 112.993 -1.912 . . . . 0.0 111.795 -177.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.85 163.1 28.6 Favored Glycine 0 C--O 1.29 3.648 0 CA-C-N 113.677 -1.601 . . . . 0.0 114.186 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.44 123.93 0.82 Allowed Glycine 1 C--N 1.412 4.762 0 N-CA-C 119.848 2.699 . . . . 0.0 119.848 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 11.8 p -99.9 -31.13 11.64 Favored 'General case' 1 N--CA 1.553 4.701 0 C-N-CA 125.579 1.551 . . . . 0.0 112.241 159.431 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -112.75 -36.08 5.28 Favored 'General case' 1 C--N 1.439 4.485 0 C-N-CA 125.405 1.482 . . . . 0.0 113.338 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 . . . . . 2 C--N 1.445 4.743 0 C-N-CA 126.785 2.034 . . . . 0.0 114.775 -175.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 1 N--CA 1.551 4.579 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.447 HG12 HG11 ' A' ' 69' ' ' VAL 0.302 0.7 OUTLIER -92.85 116.07 33.12 Favored 'Isoleucine or valine' 3 C--N 1.451 4.985 0 C-N-CA 125.498 1.519 . . . . 0.0 109.799 -178.474 . . . . . . . . 5 4 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -122.38 147.94 45.67 Favored 'General case' 0 N--CA 1.538 3.955 0 C-N-CA 129.742 3.217 . . . . 0.0 111.846 -169.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.49 142.52 12.8 Favored 'Isoleucine or valine' 2 C--N 1.45 4.951 0 C-N-CA 125.517 1.527 . . . . 0.0 109.819 174.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 17.8 p -144.32 -27.15 0.51 Allowed 'General case' 1 N--CA 1.557 4.893 0 C-N-CA 127.182 2.193 . . . . 0.0 113.206 -178.867 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.292 48.4 tptt -122.68 123.7 41.72 Favored 'General case' 1 C--N 1.468 5.749 0 C-N-CA 123.968 0.907 . . . . 0.0 113.155 178.752 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.46 HG12 HG21 ' A' ' 57' ' ' VAL 0.256 49.7 mm -128.66 129.56 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.669 0 C-N-CA 127.222 2.209 . . . . 0.0 108.154 172.655 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 1.533 ' CA ' ' CB ' ' A' ' 44' ' ' ILE 0.264 1.4 mp -84.96 131.99 47.19 Favored Pre-proline 2 CA--C 1.682 6.044 0 C-N-CA 128.752 2.821 . . . . 0.0 110.349 172.127 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.29 -19.46 62.06 Favored 'Trans proline' 3 C--N 1.541 10.672 0 C-N-CA 123.962 3.108 . . . . 0.0 117.32 176.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.84 36.51 2.33 Favored Glycine 1 C--N 1.431 5.81 0 CA-C-O 117.83 -1.539 . . . . 0.0 116.396 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.51 -178.56 42.57 Favored Glycine 3 C--N 1.447 6.729 0 C-N-CA 124.94 1.257 . . . . 0.0 115.813 173.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.0 -38.48 27.44 Favored 'General case' 1 N--CA 1.542 4.151 0 C-N-CA 128.292 2.637 . . . . 0.0 115.478 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.33 -21.96 38.84 Favored 'General case' 2 C--N 1.446 4.802 0 C-N-CA 126.554 1.941 . . . . 0.0 115.879 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.46 -43.24 12.94 Favored 'General case' 1 C--N 1.445 4.728 0 C-N-CA 127.313 2.245 . . . . 0.0 113.65 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -90.69 -54.6 3.91 Favored 'General case' 2 C--N 1.45 4.946 0 C-N-CA 127.169 2.188 . . . . 0.0 114.852 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.65 -31.24 16.71 Favored 'General case' 1 C--N 1.458 5.313 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -174.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.56 -52.61 2.79 Favored Glycine 2 C--N 1.444 6.534 0 N-CA-C 117.069 1.588 . . . . 0.0 117.069 -175.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.577 63.7 mtp180 91.53 55.91 0.0 OUTLIER 'General case' 2 N--CA 1.574 5.755 0 C-N-CA 130.866 3.666 . . . . 0.0 116.505 -178.832 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.76 131.89 54.66 Favored 'General case' 0 C--N 1.418 3.545 0 C-N-CA 128.06 2.544 . . . . 0.0 111.169 170.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.2 152.82 26.64 Favored 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 127.347 2.259 . . . . 0.0 110.581 171.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.46 HG21 HG12 ' A' ' 43' ' ' ILE . 5.7 p -55.4 -28.79 22.8 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.206 0 C-N-CA 128.938 2.895 . . . . 0.0 116.06 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.291 3.3 p-10 -91.51 8.62 35.6 Favored 'General case' 1 CA--C 1.655 5.007 0 C-N-CA 128.663 2.785 . . . . 0.0 113.829 178.099 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.263 1.6 m-20 -86.18 -31.44 21.76 Favored 'General case' 2 C--N 1.49 6.716 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 -179.22 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.3 m 45.89 119.74 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.735 0 C-N-CA 128.801 2.84 . . . . 0.0 116.451 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.505 HG22 HG11 ' A' ' 64' ' ' VAL 0.252 14.9 mt -84.46 129.78 37.09 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.871 0 C-N-CA 124.869 1.268 . . . . 0.0 110.718 -175.498 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.266 1.6 pt? -95.98 -46.23 6.6 Favored 'General case' 1 C--N 1.431 4.143 0 O-C-N 125.12 1.512 . . . . 0.0 112.327 168.566 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -132.21 136.15 46.82 Favored 'General case' 1 C--N 1.446 4.789 0 O-C-N 124.986 1.429 . . . . 0.0 113.035 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.505 HG11 HG22 ' A' ' 61' ' ' ILE 0.459 1.4 m -121.29 139.45 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.638 0 C-N-CA 124.382 1.073 . . . . 0.0 111.958 172.433 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 70.13 -1.4 2.44 Favored 'General case' 2 N--CA 1.594 6.731 0 C-N-CA 128.216 2.607 . . . . 0.0 115.191 177.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.418 46.2 mt-10 89.11 8.2 0.11 Allowed 'General case' 3 N--CA 1.586 6.355 0 C-N-CA 131.135 3.774 . . . . 0.0 112.44 -161.012 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.383 30.1 m -97.24 152.33 4.03 Favored 'Isoleucine or valine' 2 C--N 1.458 5.308 0 C-N-CA 127.993 2.517 . . . . 0.0 113.92 179.08 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.473 4.4 p30 -81.85 97.99 8.29 Favored 'General case' 0 C--N 1.412 3.305 0 C-N-CA 127.415 2.286 . . . . 0.0 115.684 -173.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG11 HG12 ' A' ' 38' ' ' ILE 0.373 0.9 OUTLIER -106.61 9.2 9.47 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.138 0 C-N-CA 128.252 2.621 . . . . 0.0 113.197 -178.611 . . . . . . . . 5 4 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -65.1 -23.66 67.21 Favored 'General case' 1 N--CA 1.574 5.757 0 C-N-CA 127.318 2.247 . . . . 0.0 113.843 173.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -154.61 84.95 1.11 Allowed 'General case' 1 C--N 1.458 5.302 0 C-N-CA 129.348 3.059 . . . . 0.0 110.052 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 1.537 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.267 32.6 m -143.68 171.4 8.23 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.212 0 C-N-CA 126.54 1.936 . . . . 0.0 109.236 174.413 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -82.3 162.78 22.15 Favored 'General case' 1 N--CA 1.563 5.224 0 C-N-CA 127.755 2.422 . . . . 0.0 109.634 167.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.281 50.7 p-80 -51.64 -50.67 59.85 Favored 'General case' 4 N--CA 1.605 7.306 0 C-N-CA 124.637 1.175 . . . . 0.0 113.489 178.103 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.1 m -59.13 -31.26 68.79 Favored 'General case' 2 C--N 1.442 4.603 0 C-N-CA 127.814 2.446 . . . . 0.0 114.209 177.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.12 -21.86 49.74 Favored 'General case' 1 C--N 1.475 6.044 0 C-N-CA 126.824 2.049 . . . . 0.0 113.178 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.61 -29.71 17.62 Favored 'General case' 1 C--N 1.469 5.778 0 C-N-CA 126.037 1.735 . . . . 0.0 113.32 171.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.5 t -73.09 -40.19 58.1 Favored 'Isoleucine or valine' 3 N--CA 1.597 6.903 0 C-N-CA 126.877 2.071 . . . . 0.0 111.18 174.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 8.0 mm-40 -67.34 -17.6 64.82 Favored 'General case' 1 N--CA 1.596 6.84 0 C-N-CA 128.544 2.737 . . . . 0.0 115.479 178.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.29 -28.81 47.62 Favored 'General case' 0 CA--C 1.62 3.655 0 C-N-CA 126.845 2.058 . . . . 0.0 111.207 166.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.434 ' HA ' HG23 ' A' ' 88' ' ' VAL 0.346 15.8 mt -92.84 -31.37 15.02 Favored 'General case' 1 C--N 1.471 5.881 0 N-CA-C 117.962 2.578 . . . . 0.0 117.962 -179.739 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -87.7 -34.54 18.36 Favored 'General case' 1 N--CA 1.541 4.123 0 C-N-CA 127.642 2.377 . . . . 0.0 114.037 175.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.292 39.4 mt-10 -86.41 -24.35 25.76 Favored 'General case' 2 N--CA 1.594 6.741 0 N-CA-C 119.965 3.321 . . . . 0.0 119.965 -177.934 . . . . . . . . 4 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.7 -23.32 51.1 Favored 'General case' 3 N--CA 1.594 6.725 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.31 -34.81 5.47 Favored Glycine 1 C--N 1.423 5.382 0 N-CA-C 119.804 2.681 . . . . 0.0 119.804 166.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.4 m -169.8 -34.86 0.02 OUTLIER 'General case' 1 N--CA 1.557 4.908 0 C-N-CA 128.625 2.77 . . . . 0.0 112.439 -171.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.286 24.1 mm -121.52 108.65 22.8 Favored 'Isoleucine or valine' 1 C--N 1.441 4.578 0 C-N-CA 125.86 1.664 . . . . 0.0 108.865 -174.159 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.434 HG23 ' HA ' ' A' ' 81' ' ' LEU 0.315 0.3 OUTLIER -118.93 119.68 61.69 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.561 0 CA-C-N 112.32 -2.218 . . . . 0.0 113.369 -176.46 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.415 34.2 ptt180 -107.96 131.0 55.01 Favored 'General case' 1 N--CA 1.554 4.774 0 C-N-CA 126.524 1.93 . . . . 0.0 114.822 -178.629 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -125.88 141.53 51.94 Favored 'General case' 0 N--CA 1.535 3.803 0 C-N-CA 128.464 2.706 . . . . 0.0 113.731 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -121.98 112.08 17.85 Favored 'General case' 1 C--O 1.315 4.544 0 C-N-CA 126.982 2.113 . . . . 0.0 110.818 177.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 30.1 m -106.59 159.85 6.27 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.382 0 O-C-N 126.818 2.574 . . . . 0.0 114.765 -176.407 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.292 25.7 ptt? -126.17 115.35 19.64 Favored 'General case' 1 N--CA 1.568 5.433 0 C-N-CA 127.734 2.413 . . . . 0.0 114.007 -176.467 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.334 16.7 ptm180 . . . . . 1 N--CA 1.546 4.337 0 C-N-CA 126.923 2.089 . . . . 0.0 112.271 178.411 . . . . . . . . 2 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.53 3.575 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 2 N--CA 1.546 4.335 0 C-N-CA 128.077 2.551 . . . . 0.0 104.787 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.319 10.1 pt-20 . . . . . 1 N--CA 1.544 4.241 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 . . . . . . . . . 2 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -103.4 143.49 32.63 Favored 'General case' 1 N--CA 1.546 4.343 0 C-N-CA 125.902 1.681 . . . . 0.0 113.656 -176.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -122.74 134.52 54.44 Favored 'General case' 1 N--CA 1.551 4.586 0 C-N-CA 126.041 1.736 . . . . 0.0 113.33 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.309 12.3 pt-20 -110.42 109.72 20.21 Favored 'General case' 0 C--N 1.425 3.869 0 C-N-CA 125.829 1.652 . . . . 0.0 112.131 173.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -112.07 138.22 41.79 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.828 0 C-N-CA 125.165 1.386 . . . . 0.0 109.59 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.417 HG21 ' HB3' ' A' ' 89' ' ' ARG . 2.0 m -116.76 118.88 33.75 Favored 'General case' 0 C--N 1.418 3.577 0 C-N-CA 125.838 1.655 . . . . 0.0 108.434 174.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 N--CA 1.521 3.106 0 C-N-CA 127.608 2.363 . . . . 0.0 112.896 178.768 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.417 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.501 2.998 0 CA-C-O 119.221 -0.766 . . . . 0.0 114.224 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -154.43 168.56 26.28 Favored 'General case' 2 C--N 1.438 4.449 0 C-N-CA 129.124 2.97 . . . . 0.0 108.533 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.1 m -135.17 146.28 48.58 Favored 'General case' 2 C--N 1.444 4.686 0 C-N-CA 123.993 0.917 . . . . 0.0 111.251 166.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.481 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.557 2.2 pp -118.84 123.58 71.74 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.945 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -175.223 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.71 116.69 33.07 Favored 'General case' 1 C--N 1.438 4.453 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.28 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.78 154.9 24.97 Favored Glycine 1 N--CA 1.518 4.161 0 C-N-CA 125.718 1.628 . . . . 0.0 113.284 -173.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.02 149.93 7.53 Favored Glycine 2 N--CA 1.521 4.331 0 N-CA-C 118.263 2.065 . . . . 0.0 118.263 -170.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.251 8.5 p -104.74 -44.66 4.8 Favored 'General case' 1 N--CA 1.561 5.093 0 C-N-CA 126.003 1.721 . . . . 0.0 113.424 165.991 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -99.47 -31.99 11.36 Favored 'General case' 2 C--N 1.432 4.16 0 C-N-CA 126.556 1.943 . . . . 0.0 113.145 177.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 2 C--N 1.447 4.814 0 C-N-CA 127.102 2.161 . . . . 0.0 112.3 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 1 N--CA 1.552 4.654 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.302 0.6 OUTLIER -94.5 111.78 25.99 Favored 'Isoleucine or valine' 3 C--N 1.451 4.991 0 C-N-CA 125.413 1.485 . . . . 0.0 109.594 -177.974 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -119.76 147.0 45.15 Favored 'General case' 1 N--CA 1.54 4.038 0 C-N-CA 129.886 3.274 . . . . 0.0 111.94 -171.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -86.72 138.58 18.79 Favored 'Isoleucine or valine' 2 C--N 1.448 4.852 0 C-N-CA 125.755 1.622 . . . . 0.0 109.886 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -141.72 -33.99 0.49 Allowed 'General case' 0 CA--C 1.624 3.807 0 C-N-CA 127.53 2.332 . . . . 0.0 109.443 -171.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.275 51.3 tptt -121.84 128.09 51.25 Favored 'General case' 1 C--N 1.464 5.561 0 C-N-CA 124.344 1.058 . . . . 0.0 113.163 179.721 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.649 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 46.1 mm -127.87 124.3 62.68 Favored 'Isoleucine or valine' 0 C--N 1.414 3.411 0 C-N-CA 127.425 2.29 . . . . 0.0 108.094 172.27 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.291 2.9 mp -82.39 131.24 56.28 Favored Pre-proline 2 CA--C 1.678 5.893 0 C-N-CA 127.158 2.183 . . . . 0.0 110.562 173.407 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.91 -19.28 63.97 Favored 'Trans proline' 3 C--N 1.539 10.564 0 C-N-CA 124.197 3.265 . . . . 0.0 117.485 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.86 39.16 1.82 Allowed Glycine 1 C--N 1.429 5.731 0 CA-C-O 117.989 -1.451 . . . . 0.0 115.885 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.417 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -94.78 -177.69 38.11 Favored Glycine 2 C--N 1.443 6.499 0 C-N-CA 125.34 1.447 . . . . 0.0 116.569 174.752 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -38.07 28.88 Favored 'General case' 1 N--CA 1.54 4.044 0 C-N-CA 128.748 2.819 . . . . 0.0 115.384 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.5 -24.08 36.92 Favored 'General case' 2 N--CA 1.555 4.811 0 C-N-CA 126.774 2.03 . . . . 0.0 116.073 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 -41.68 16.32 Favored 'General case' 1 C--N 1.444 4.692 0 C-N-CA 127.344 2.257 . . . . 0.0 113.468 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -91.08 -56.58 3.11 Favored 'General case' 2 C--N 1.448 4.872 0 C-N-CA 127.241 2.216 . . . . 0.0 115.06 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.76 -32.7 16.02 Favored 'General case' 2 C--N 1.459 5.345 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -173.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.23 -51.08 3.43 Favored Glycine 2 C--N 1.439 6.276 0 N-CA-C 117.627 1.811 . . . . 0.0 117.627 -172.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.556 86.9 mtm180 90.74 52.62 0.0 OUTLIER 'General case' 2 N--CA 1.577 5.908 0 C-N-CA 130.666 3.586 . . . . 0.0 116.232 -178.479 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.14 130.23 55.69 Favored 'General case' 0 C--N 1.419 3.623 0 C-N-CA 127.909 2.484 . . . . 0.0 111.575 171.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -111.33 154.8 24.02 Favored 'General case' 0 N--CA 1.528 3.434 0 C-N-CA 127.673 2.389 . . . . 0.0 110.651 170.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.479 HG22 HG12 ' A' ' 43' ' ' ILE 0.252 4.2 p -56.26 -28.38 25.75 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.002 0 C-N-CA 128.815 2.846 . . . . 0.0 116.302 -179.039 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -91.92 10.77 27.44 Favored 'General case' 1 CA--C 1.673 5.709 0 C-N-CA 128.627 2.771 . . . . 0.0 112.305 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.251 2.1 m-20 -89.22 -33.04 17.14 Favored 'General case' 2 C--N 1.486 6.514 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 179.652 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m 44.37 118.77 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.812 0 C-N-CA 129.401 3.08 . . . . 0.0 116.751 177.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mt -84.28 126.01 40.23 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.176 0 C-N-CA 124.7 1.2 . . . . 0.0 110.192 -175.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.264 1.5 pt? -91.44 -44.19 9.27 Favored 'General case' 1 C--N 1.431 4.115 0 C-N-CA 125.098 1.359 . . . . 0.0 112.027 171.124 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -129.68 125.81 36.86 Favored 'General case' 1 C--N 1.449 4.916 0 O-C-N 125.252 1.595 . . . . 0.0 113.406 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.447 HG23 HG23 ' A' ' 69' ' ' VAL . 37.9 t -112.02 130.06 66.35 Favored 'Isoleucine or valine' 1 N--CA 1.586 6.345 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -178.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.4 m120 71.77 -1.98 2.64 Favored 'General case' 3 N--CA 1.63 8.572 0 C-N-CA 128.577 2.751 . . . . 0.0 114.89 -176.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.395 47.4 mt-10 87.92 8.72 0.16 Allowed 'General case' 3 N--CA 1.583 6.182 0 C-N-CA 130.772 3.629 . . . . 0.0 111.73 -160.571 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.405 24.4 m -95.82 154.94 3.44 Favored 'Isoleucine or valine' 1 C--N 1.465 5.619 0 C-N-CA 127.191 2.196 . . . . 0.0 113.747 179.176 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.433 4.5 p-10 -81.88 98.56 8.58 Favored 'General case' 0 C--N 1.411 3.27 0 C-N-CA 127.177 2.191 . . . . 0.0 115.228 -173.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG23 HG23 ' A' ' 64' ' ' VAL 0.423 28.1 m -94.63 -13.97 8.19 Favored 'Isoleucine or valine' 1 N--CA 1.549 4.514 0 CA-C-N 113.084 -1.871 . . . . 0.0 115.246 176.767 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.33 38.8 ptt180 -47.96 -21.89 0.51 Allowed 'General case' 2 N--CA 1.584 6.249 0 N-CA-C 118.383 2.734 . . . . 0.0 118.383 179.791 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -150.95 74.77 1.17 Allowed 'General case' 1 C--N 1.436 4.36 0 C-N-CA 128.644 2.777 . . . . 0.0 107.242 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.293 18.6 m -140.91 160.7 23.47 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.649 0 C-N-CA 127.158 2.183 . . . . 0.0 110.783 177.529 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -77.25 162.71 27.14 Favored 'General case' 1 N--CA 1.561 5.08 0 C-N-CA 126.737 2.015 . . . . 0.0 112.3 166.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -47.25 -57.98 4.6 Favored 'General case' 3 N--CA 1.575 5.814 0 C-N-CA 129.189 2.996 . . . . 0.0 112.676 174.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.1 m -61.0 -34.01 74.14 Favored 'General case' 2 C--N 1.453 5.101 0 C-N-CA 126.576 1.95 . . . . 0.0 113.543 177.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.63 -22.44 62.52 Favored 'General case' 2 C--N 1.456 5.227 0 C-N-CA 128.365 2.666 . . . . 0.0 114.384 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.31 -35.42 15.26 Favored 'General case' 1 C--N 1.463 5.507 0 C-N-CA 126.393 1.877 . . . . 0.0 112.712 174.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.5 t -73.15 -41.95 58.66 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.833 0 C-N-CA 127.298 2.239 . . . . 0.0 111.5 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.15 -29.62 67.56 Favored 'General case' 2 N--CA 1.564 5.243 0 C-N-CA 128.719 2.808 . . . . 0.0 114.722 178.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.61 -28.23 65.76 Favored 'General case' 2 C--N 1.446 4.778 0 C-N-CA 127.252 2.221 . . . . 0.0 112.616 171.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.406 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.8 mt -91.11 -31.91 16.05 Favored 'General case' 2 C--N 1.452 5.05 0 C-N-CA 127.008 2.123 . . . . 0.0 113.6 178.764 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -83.46 -29.05 28.33 Favored 'General case' 0 C--N 1.427 3.942 0 C-N-CA 127.695 2.398 . . . . 0.0 113.832 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.387 10.1 pt-20 -70.36 -44.11 68.79 Favored 'General case' 2 N--CA 1.584 6.235 0 N-CA-C 118.437 2.755 . . . . 0.0 118.437 177.323 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.33 -20.77 66.55 Favored 'General case' 2 C--N 1.45 4.967 0 C-N-CA 125.843 1.657 . . . . 0.0 114.651 -176.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.23 -34.18 0.54 Allowed Glycine 1 C--N 1.425 5.475 0 N-CA-C 122.783 3.873 . . . . 0.0 122.783 169.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 m -143.41 -36.35 0.37 Allowed 'General case' 0 N--CA 1.516 2.831 0 C-N-CA 128.334 2.654 . . . . 0.0 112.703 -168.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.271 31.5 mm -133.38 109.49 13.69 Favored 'Isoleucine or valine' 2 C--N 1.446 4.798 0 C-N-CA 125.491 1.517 . . . . 0.0 109.246 -175.015 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.406 HG13 ' HA ' ' A' ' 81' ' ' LEU 0.299 0.0 OUTLIER -118.41 115.72 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.354 0 O-C-N 125.694 1.871 . . . . 0.0 113.297 -179.374 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.417 ' HB3' HG21 ' A' ' 11' ' ' THR 0.393 38.0 ptt180 -107.29 105.13 14.94 Favored 'General case' 1 N--CA 1.562 5.155 0 C-N-CA 126.25 1.82 . . . . 0.0 115.182 -176.236 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.84 143.47 32.41 Favored 'General case' 0 N--CA 1.533 3.694 0 C-N-CA 127.536 2.334 . . . . 0.0 114.224 -176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -121.88 111.83 17.58 Favored 'General case' 0 C--N 1.417 3.523 0 C-N-CA 126.722 2.009 . . . . 0.0 111.153 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.3 m -106.8 159.62 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.475 0 O-C-N 126.326 2.266 . . . . 0.0 115.147 -175.105 . . . . . . . . 3 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.343 0.0 OUTLIER -126.82 112.2 15.09 Favored 'General case' 2 N--CA 1.554 4.757 0 C-N-CA 127.459 2.303 . . . . 0.0 113.68 -176.23 . . . . . . . . 4 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.355 15.4 ptm180 . . . . . 0 N--CA 1.534 3.747 0 C-N-CA 126.379 1.872 . . . . 0.0 112.789 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.481 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 68.5 m . . . . . 1 N--CA 1.552 4.649 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 C--N 1.451 5.001 0 C-N-CA 126.871 2.068 . . . . 0.0 107.302 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.391 10.4 pt-20 . . . . . 1 N--CA 1.542 4.156 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 . . . . . . . . . 2 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -108.52 145.61 34.49 Favored 'General case' 0 N--CA 1.538 3.964 0 C-N-CA 126.439 1.895 . . . . 0.0 113.225 -177.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -124.52 130.9 53.32 Favored 'General case' 1 N--CA 1.543 4.203 0 C-N-CA 125.848 1.659 . . . . 0.0 113.182 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.301 11.8 pt-20 -106.46 109.24 21.11 Favored 'General case' 0 C--N 1.423 3.799 0 C-N-CA 125.765 1.626 . . . . 0.0 111.952 172.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 6.9 mt -109.74 139.28 33.55 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.813 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -178.925 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.254 0.2 OUTLIER -110.72 120.15 41.47 Favored 'General case' 0 N--CA 1.533 3.702 0 C-N-CA 126.455 1.902 . . . . 0.0 112.456 171.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--N 1.402 2.868 0 C-N-CA 127.076 2.15 . . . . 0.0 112.793 177.189 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.485 0 N-CA-C 115.975 1.15 . . . . 0.0 115.975 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -154.64 169.02 24.86 Favored 'General case' 1 C--N 1.44 4.534 0 C-N-CA 128.528 2.731 . . . . 0.0 109.505 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.551 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 58.8 m -135.02 144.12 47.15 Favored 'General case' 1 C--N 1.448 4.89 0 C-N-CA 124.089 0.956 . . . . 0.0 110.948 166.221 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.446 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.494 2.0 pp -120.68 129.0 76.1 Favored 'Isoleucine or valine' 2 N--CA 1.565 5.276 0 N-CA-C 119.23 3.048 . . . . 0.0 119.23 -175.361 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.65 118.23 36.37 Favored 'General case' 1 C--N 1.438 4.429 0 CA-C-N 113.2 -1.818 . . . . 0.0 111.853 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.91 159.04 24.47 Favored Glycine 0 N--CA 1.512 3.753 0 C-N-CA 126.226 1.869 . . . . 0.0 112.967 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.86 120.87 0.66 Allowed Glycine 1 C--N 1.414 4.868 0 N-CA-C 120.19 2.836 . . . . 0.0 120.19 -176.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.294 12.0 p -104.44 -37.42 7.19 Favored 'General case' 1 N--CA 1.555 4.817 0 O-C-N 125.757 1.504 . . . . 0.0 113.397 161.336 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -106.36 -35.65 7.07 Favored 'General case' 2 C--N 1.435 4.314 0 C-N-CA 125.286 1.435 . . . . 0.0 113.34 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.1 m120 . . . . . 2 C--N 1.441 4.568 0 C-N-CA 127.135 2.174 . . . . 0.0 113.624 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 1 N--CA 1.557 4.896 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 1.592 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.291 0.6 OUTLIER -92.66 119.46 40.3 Favored 'Isoleucine or valine' 3 C--N 1.452 5.052 0 C-N-CA 125.529 1.532 . . . . 0.0 110.142 -177.709 . . . . . . . . 5 4 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -121.36 155.1 35.51 Favored 'General case' 1 N--CA 1.546 4.335 0 C-N-CA 127.686 2.395 . . . . 0.0 112.183 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -90.44 141.7 14.0 Favored 'Isoleucine or valine' 1 C--N 1.456 5.199 0 C-N-CA 125.938 1.695 . . . . 0.0 108.787 168.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.302 20.3 p -142.4 -28.16 0.6 Allowed 'General case' 1 N--CA 1.563 5.187 0 C-N-CA 127.065 2.146 . . . . 0.0 112.907 -179.626 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.287 51.9 tptt -119.8 126.39 50.89 Favored 'General case' 1 C--N 1.466 5.643 0 C-N-CA 124.103 0.961 . . . . 0.0 112.823 178.322 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.651 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 45.0 mm -127.43 124.39 63.67 Favored 'Isoleucine or valine' 0 C--N 1.411 3.266 0 C-N-CA 127.411 2.284 . . . . 0.0 107.951 172.28 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.299 3.0 mp -81.04 128.95 69.33 Favored Pre-proline 2 CA--C 1.68 5.97 0 C-N-CA 127.243 2.217 . . . . 0.0 110.913 173.455 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.63 -21.98 70.24 Favored 'Trans proline' 3 C--N 1.541 10.659 0 C-N-CA 124.315 3.343 . . . . 0.0 117.645 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.14 37.44 2.2 Favored Glycine 1 C--N 1.43 5.758 0 CA-C-O 117.891 -1.505 . . . . 0.0 115.963 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.05 -178.05 39.07 Favored Glycine 2 C--N 1.445 6.632 0 C-N-CA 125.152 1.358 . . . . 0.0 116.149 174.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.03 -35.34 31.98 Favored 'General case' 0 N--CA 1.537 3.888 0 C-N-CA 128.384 2.674 . . . . 0.0 115.706 -177.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.64 -24.03 36.6 Favored 'General case' 2 N--CA 1.565 5.31 0 C-N-CA 126.945 2.098 . . . . 0.0 116.193 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.35 -41.65 16.55 Favored 'General case' 1 C--N 1.441 4.551 0 C-N-CA 127.266 2.226 . . . . 0.0 113.31 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -91.14 -56.7 3.06 Favored 'General case' 1 C--N 1.45 4.955 0 C-N-CA 127.251 2.22 . . . . 0.0 115.039 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.68 -32.96 15.99 Favored 'General case' 2 C--N 1.461 5.417 0 N-CA-C 117.805 2.52 . . . . 0.0 117.805 -173.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.32 -49.07 4.08 Favored Glycine 2 C--N 1.437 6.165 0 N-CA-C 117.573 1.789 . . . . 0.0 117.573 -172.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.577 84.3 mtm180 88.28 54.72 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.793 0 C-N-CA 130.597 3.559 . . . . 0.0 116.809 -179.168 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tp -111.15 132.33 54.39 Favored 'General case' 0 C--N 1.417 3.51 0 C-N-CA 127.609 2.364 . . . . 0.0 111.637 171.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -111.45 153.18 26.5 Favored 'General case' 0 N--CA 1.526 3.363 0 C-N-CA 127.66 2.384 . . . . 0.0 110.563 170.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.467 HG21 HG12 ' A' ' 43' ' ' ILE . 6.0 p -56.41 -27.69 25.08 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.061 0 C-N-CA 129.008 2.923 . . . . 0.0 115.996 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -91.72 9.33 32.96 Favored 'General case' 1 CA--C 1.67 5.591 0 C-N-CA 128.748 2.819 . . . . 0.0 112.253 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.25 1.8 m-20 -84.77 -31.91 23.69 Favored 'General case' 2 C--N 1.491 6.754 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 179.472 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.5 t 45.18 122.77 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.677 0 C-N-CA 129.379 3.072 . . . . 0.0 115.978 176.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 64' ' ' VAL 0.256 28.4 mt -84.04 130.98 34.98 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.928 0 C-N-CA 125.283 1.433 . . . . 0.0 111.011 -176.529 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.5 pt? -97.75 -45.48 6.33 Favored 'General case' 1 C--N 1.432 4.189 0 O-C-N 125.218 1.574 . . . . 0.0 112.152 166.493 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -133.36 137.44 45.89 Favored 'General case' 1 C--N 1.448 4.888 0 O-C-N 124.981 1.426 . . . . 0.0 112.988 -176.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 61' ' ' ILE 0.466 1.3 m -121.02 139.59 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.789 0 C-N-CA 124.754 1.221 . . . . 0.0 112.112 171.66 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 69.24 -5.34 1.11 Allowed 'General case' 2 N--CA 1.598 6.946 0 C-N-CA 128.838 2.855 . . . . 0.0 115.673 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.416 11.8 mm-40 92.54 7.77 0.04 OUTLIER 'General case' 3 N--CA 1.58 6.053 0 C-N-CA 131.451 3.9 . . . . 0.0 111.994 -160.254 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.386 28.4 m -95.51 151.6 3.89 Favored 'Isoleucine or valine' 1 C--N 1.463 5.535 0 C-N-CA 127.931 2.493 . . . . 0.0 113.723 178.01 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.431 4.4 p30 -84.33 101.95 12.34 Favored 'General case' 0 C--N 1.404 2.945 0 C-N-CA 127.36 2.264 . . . . 0.0 115.455 -173.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.476 27.8 m -97.83 -3.72 9.85 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.229 0 CA-C-N 112.878 -1.965 . . . . 0.0 115.574 176.277 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -46.06 -28.47 1.19 Allowed 'General case' 3 N--CA 1.596 6.844 0 C-N-CA 128.62 2.768 . . . . 0.0 116.625 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -151.85 82.1 1.28 Allowed 'General case' 1 C--N 1.459 5.365 0 C-N-CA 129.651 3.181 . . . . 0.0 108.741 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 1.561 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.293 17.6 m -141.89 163.81 19.21 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.613 0 C-N-CA 126.616 1.966 . . . . 0.0 111.015 178.399 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 p -78.88 163.98 24.84 Favored 'General case' 1 N--CA 1.57 5.532 0 C-N-CA 126.729 2.012 . . . . 0.0 111.364 166.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.279 55.9 p-80 -54.07 -52.05 62.15 Favored 'General case' 2 N--CA 1.597 6.922 0 C-N-CA 125.518 1.527 . . . . 0.0 114.24 177.081 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -60.66 -33.73 73.25 Favored 'General case' 2 N--CA 1.556 4.867 0 C-N-CA 126.979 2.112 . . . . 0.0 112.958 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.26 -24.37 63.97 Favored 'General case' 2 C--N 1.452 5.037 0 C-N-CA 128.327 2.651 . . . . 0.0 114.145 174.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.67 -31.83 16.45 Favored 'General case' 1 C--N 1.461 5.429 0 C-N-CA 126.744 2.017 . . . . 0.0 113.192 174.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.0 t -74.55 -41.54 48.87 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.736 0 C-N-CA 127.589 2.356 . . . . 0.0 111.488 176.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.08 -20.3 66.12 Favored 'General case' 1 N--CA 1.597 6.892 0 C-N-CA 128.575 2.75 . . . . 0.0 115.224 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.73 -29.65 62.37 Favored 'General case' 1 C--N 1.431 4.131 0 C-N-CA 126.626 1.97 . . . . 0.0 111.321 166.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.254 12.5 mt -93.04 -31.24 14.93 Favored 'General case' 1 C--N 1.456 5.23 0 C-N-CA 126.904 2.082 . . . . 0.0 116.107 -178.768 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -85.01 -38.54 19.1 Favored 'General case' 1 N--CA 1.544 4.257 0 C-N-CA 127.341 2.256 . . . . 0.0 113.104 176.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.268 39.2 mt-10 -90.0 -17.23 28.23 Favored 'General case' 2 N--CA 1.59 6.544 0 N-CA-C 120.011 3.337 . . . . 0.0 120.011 -175.809 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.49 -22.93 46.99 Favored 'General case' 3 N--CA 1.592 6.641 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.83 -35.12 5.2 Favored Glycine 1 C--N 1.423 5.379 0 N-CA-C 119.822 2.689 . . . . 0.0 119.822 165.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 t -173.42 -30.96 0.01 OUTLIER 'General case' 1 N--CA 1.566 5.365 0 C-N-CA 128.324 2.65 . . . . 0.0 111.016 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.276 23.4 mm -123.1 124.83 71.04 Favored 'Isoleucine or valine' 1 C--N 1.437 4.41 0 C-N-CA 125.545 1.538 . . . . 0.0 109.563 -178.96 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.371 23.3 m -124.57 121.54 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.758 0 C-N-CA 127.906 2.483 . . . . 0.0 111.945 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.406 37.0 ptt180 -113.46 99.69 7.95 Favored 'General case' 1 N--CA 1.556 4.829 0 C-N-CA 125.824 1.649 . . . . 0.0 115.302 -176.054 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.26 137.04 32.68 Favored 'General case' 0 N--CA 1.533 3.715 0 C-N-CA 127.321 2.248 . . . . 0.0 114.144 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -118.6 110.38 17.28 Favored 'General case' 1 C--O 1.318 4.666 0 C-N-CA 126.694 1.998 . . . . 0.0 110.57 177.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 31.3 m -106.48 159.39 6.35 Favored 'Isoleucine or valine' 2 CA--C 1.659 5.144 0 O-C-N 127.106 2.754 . . . . 0.0 114.793 -176.398 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.286 25.8 ptt? -128.15 120.97 28.41 Favored 'General case' 1 N--CA 1.572 5.66 0 C-N-CA 127.467 2.307 . . . . 0.0 114.644 -175.21 . . . . . . . . 3 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.354 35.4 ptt180 . . . . . 1 N--CA 1.54 4.029 0 C-N-CA 127.007 2.123 . . . . 0.0 112.099 175.926 . . . . . . . . 2 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.446 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 71.2 m . . . . . 1 CA--C 1.633 4.157 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 1 C--N 1.433 4.213 0 C-N-CA 127.077 2.151 . . . . 0.0 109.513 -173.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 1 N--CA 1.558 4.934 0 CA-C-O 121.29 0.566 . . . . 0.0 111.65 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -104.22 144.1 32.06 Favored 'General case' 1 N--CA 1.55 4.553 0 C-N-CA 126.495 1.918 . . . . 0.0 113.051 -177.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -130.62 133.07 45.84 Favored 'General case' 2 N--CA 1.552 4.664 0 C-N-CA 124.58 1.152 . . . . 0.0 111.578 -177.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.287 11.5 pt-20 -106.23 113.03 26.31 Favored 'General case' 2 N--CA 1.541 4.098 0 C-N-CA 126.501 1.92 . . . . 0.0 112.661 175.393 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -114.96 146.9 18.8 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.1 0 C-N-CA 125.306 1.442 . . . . 0.0 110.634 -176.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.28 127.23 55.33 Favored 'General case' 2 N--CA 1.552 4.675 0 C-N-CA 127.246 2.218 . . . . 0.0 113.571 172.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.536 3.851 0 C-N-CA 126.798 2.039 . . . . 0.0 113.258 176.704 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.557 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -158.95 165.05 34.99 Favored 'General case' 0 CA--C 1.624 3.796 0 C-N-CA 128.774 2.83 . . . . 0.0 108.561 167.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.563 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 75.7 m -131.31 139.25 49.52 Favored 'General case' 1 C--N 1.437 4.404 0 C-N-CA 125.645 1.578 . . . . 0.0 110.098 170.426 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.512 2.1 pp -113.97 122.74 68.68 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.256 0 N-CA-C 119.216 3.043 . . . . 0.0 119.216 -174.025 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.53 117.61 34.56 Favored 'General case' 0 C--N 1.427 3.953 0 CA-C-N 113.505 -1.68 . . . . 0.0 111.464 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.72 153.26 14.54 Favored Glycine 0 C--N 1.382 3.133 0 CA-C-N 113.399 -1.728 . . . . 0.0 113.089 -174.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.05 147.66 6.32 Favored Glycine 0 N--CA 1.514 3.861 0 N-CA-C 117.794 1.877 . . . . 0.0 117.794 -169.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.253 6.1 p -96.78 -33.27 11.74 Favored 'General case' 1 N--CA 1.56 5.073 0 C-N-CA 126.433 1.893 . . . . 0.0 113.268 167.629 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.72 -38.56 7.02 Favored 'General case' 1 C--N 1.432 4.164 0 C-N-CA 125.915 1.686 . . . . 0.0 112.473 175.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 2 CA--C 1.689 6.296 0 C-N-CA 126.568 1.947 . . . . 0.0 110.552 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 2 N--CA 1.566 5.34 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 1.605 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.261 0.7 OUTLIER -98.18 129.09 48.92 Favored 'Isoleucine or valine' 3 C--N 1.444 4.677 0 C-N-CA 126.15 1.78 . . . . 0.0 109.835 -178.744 . . . . . . . . 5 4 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -134.99 158.94 43.05 Favored 'General case' 1 N--CA 1.557 4.88 0 C-N-CA 128.281 2.632 . . . . 0.0 111.312 -176.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -90.31 144.43 9.13 Favored 'Isoleucine or valine' 2 C--N 1.462 5.459 0 C-N-CA 125.998 1.719 . . . . 0.0 109.766 172.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.432 14.0 t -145.52 -28.09 0.45 Allowed 'General case' 1 N--CA 1.555 4.782 0 C-N-CA 126.453 1.901 . . . . 0.0 113.627 179.632 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 11.3 tmtt? -122.96 125.62 45.64 Favored 'General case' 1 C--N 1.459 5.35 0 O-C-N 124.163 0.914 . . . . 0.0 110.702 -179.051 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.608 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 41.1 mm -122.15 128.67 75.61 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.167 0 C-N-CA 127.119 2.168 . . . . 0.0 108.442 174.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.29 3.9 mp -83.58 130.24 56.73 Favored Pre-proline 1 CA--C 1.682 6.034 0 C-N-CA 125.689 1.596 . . . . 0.0 109.951 172.705 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.65 -22.02 70.13 Favored 'Trans proline' 3 C--N 1.536 10.408 0 C-N-CA 124.401 3.4 . . . . 0.0 117.706 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.57 46.06 1.09 Allowed Glycine 1 C--N 1.428 5.668 0 O-C-N 124.753 1.283 . . . . 0.0 115.292 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.557 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -99.24 -177.37 31.64 Favored Glycine 2 C--N 1.434 6.002 0 C-N-CA 125.832 1.682 . . . . 0.0 115.093 173.678 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.72 -39.09 27.63 Favored 'General case' 1 N--CA 1.546 4.332 0 C-N-CA 126.842 2.057 . . . . 0.0 116.445 -176.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.27 -24.72 37.1 Favored 'General case' 2 N--CA 1.557 4.895 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.19 -46.2 12.13 Favored 'General case' 1 C--N 1.45 4.947 0 C-N-CA 127.674 2.389 . . . . 0.0 113.785 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -90.65 -53.04 4.59 Favored 'General case' 1 C--N 1.45 4.943 0 C-N-CA 127.649 2.38 . . . . 0.0 114.913 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.91 -35.7 14.59 Favored 'General case' 1 C--N 1.455 5.172 0 N-CA-C 117.947 2.573 . . . . 0.0 117.947 -172.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.3 -74.68 1.29 Allowed Glycine 2 C--N 1.463 7.616 0 N-CA-C 118.187 2.035 . . . . 0.0 118.187 -170.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 173.79 -25.87 0.0 OUTLIER 'General case' 2 N--CA 1.623 8.188 0 C-N-CA 129.217 3.007 . . . . 0.0 114.215 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . 0.29 2.0 tt -77.92 128.78 34.47 Favored 'General case' 1 C--N 1.453 5.069 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -161.996 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -111.32 155.4 23.11 Favored 'General case' 0 CA--C 1.612 3.36 0 C-N-CA 129.156 2.983 . . . . 0.0 110.57 170.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.505 HG21 HG12 ' A' ' 43' ' ' ILE . 5.8 p -54.23 -27.18 16.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.41 0 C-N-CA 129.626 3.17 . . . . 0.0 116.138 179.231 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -91.32 8.9 33.8 Favored 'General case' 1 CA--C 1.668 5.483 0 C-N-CA 128.586 2.754 . . . . 0.0 112.395 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.98 -35.52 17.57 Favored 'General case' 2 C--N 1.484 6.43 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.271 70.3 m 44.74 118.47 0.0 OUTLIER 'General case' 2 N--CA 1.591 6.59 0 C-N-CA 129.557 3.143 . . . . 0.0 117.044 177.27 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mt -85.26 127.77 39.67 Favored 'Isoleucine or valine' 1 N--CA 1.565 5.296 0 C-N-CA 125.062 1.345 . . . . 0.0 110.376 -175.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.5 pt? -93.36 -43.36 8.82 Favored 'General case' 0 C--N 1.428 3.985 0 O-C-N 125.063 1.477 . . . . 0.0 112.652 170.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -129.82 127.32 40.04 Favored 'General case' 2 C--N 1.447 4.819 0 O-C-N 125.108 1.505 . . . . 0.0 113.517 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.418 HG21 HG21 ' A' ' 69' ' ' VAL . 14.3 t -115.04 129.86 70.52 Favored 'Isoleucine or valine' 1 N--CA 1.593 6.694 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 -178.72 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 74.43 -4.95 2.2 Favored 'General case' 2 N--CA 1.629 8.504 0 C-N-CA 128.625 2.77 . . . . 0.0 114.597 -174.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.399 46.8 mt-10 89.12 7.9 0.11 Allowed 'General case' 3 N--CA 1.582 6.145 0 C-N-CA 130.976 3.711 . . . . 0.0 111.654 -159.621 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.401 21.4 m -94.62 156.01 3.19 Favored 'Isoleucine or valine' 1 C--N 1.468 5.75 0 C-N-CA 126.74 2.016 . . . . 0.0 113.841 178.972 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.442 4.5 p-10 -82.02 98.0 8.4 Favored 'General case' 0 C--N 1.414 3.393 0 C-N-CA 127.095 2.158 . . . . 0.0 115.21 -173.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.418 HG21 HG21 ' A' ' 64' ' ' VAL 0.422 26.4 m -91.61 -15.31 8.35 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.208 0 CA-C-N 112.741 -2.027 . . . . 0.0 115.124 176.548 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.307 17.0 ptm180 -44.66 -26.51 0.39 Allowed 'General case' 3 N--CA 1.583 6.179 0 C-N-CA 128.582 2.753 . . . . 0.0 118.173 -179.61 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -145.88 73.69 1.35 Allowed 'General case' 1 C--N 1.442 4.623 0 C-N-CA 129.443 3.097 . . . . 0.0 108.982 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 1.587 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.293 16.7 m -142.78 159.99 18.52 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.628 0 C-N-CA 126.756 2.022 . . . . 0.0 110.635 178.051 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -77.6 163.68 26.03 Favored 'General case' 1 N--CA 1.575 5.818 0 C-N-CA 126.59 1.956 . . . . 0.0 111.8 167.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.319 26.4 p-80 -51.0 -52.68 40.36 Favored 'General case' 2 N--CA 1.595 6.777 0 C-N-CA 125.933 1.693 . . . . 0.0 114.635 175.61 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 m -59.24 -35.94 74.56 Favored 'General case' 2 N--CA 1.567 5.394 0 C-N-CA 126.963 2.105 . . . . 0.0 113.538 176.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.38 -22.71 61.84 Favored 'General case' 2 C--N 1.452 5.031 0 C-N-CA 128.643 2.777 . . . . 0.0 114.303 174.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.6 -32.61 16.19 Favored 'General case' 1 C--N 1.46 5.386 0 C-N-CA 126.971 2.108 . . . . 0.0 112.78 175.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -75.23 -39.91 43.06 Favored 'Isoleucine or valine' 3 N--CA 1.588 6.428 0 C-N-CA 128.209 2.604 . . . . 0.0 110.721 175.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.8 mt-10 -65.56 -16.96 64.21 Favored 'General case' 2 N--CA 1.591 6.591 0 C-N-CA 128.019 2.528 . . . . 0.0 114.587 175.198 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.83 -28.02 55.36 Favored 'General case' 0 CA--C 1.629 3.999 0 C-N-CA 127.28 2.232 . . . . 0.0 111.748 166.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.488 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.3 mt -91.1 -45.89 8.43 Favored 'General case' 1 C--N 1.46 5.396 0 C-N-CA 126.091 1.756 . . . . 0.0 114.534 177.102 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.01 -32.83 61.72 Favored 'General case' 1 N--CA 1.547 4.4 0 C-N-CA 127.838 2.455 . . . . 0.0 114.333 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.277 40.2 mt-10 -89.8 -17.67 27.72 Favored 'General case' 2 N--CA 1.587 6.413 0 N-CA-C 119.698 3.221 . . . . 0.0 119.698 -178.116 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.76 -24.77 64.33 Favored 'General case' 3 N--CA 1.597 6.918 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.9 -34.95 4.84 Favored Glycine 1 C--N 1.421 5.272 0 N-CA-C 119.02 2.368 . . . . 0.0 119.02 165.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.3 t -177.18 -30.11 0.01 OUTLIER 'General case' 2 N--CA 1.567 5.392 0 C-N-CA 128.596 2.758 . . . . 0.0 111.032 -175.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.285 21.8 mm -123.83 116.1 47.07 Favored 'Isoleucine or valine' 1 C--N 1.442 4.599 0 C-N-CA 125.846 1.658 . . . . 0.0 109.071 -175.588 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.488 HG13 ' HA ' ' A' ' 81' ' ' LEU 0.275 0.0 OUTLIER -119.8 122.71 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.027 0 CA-C-N 111.99 -2.368 . . . . 0.0 113.362 -177.167 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.385 36.4 ptt180 -109.5 103.71 12.65 Favored 'General case' 1 N--CA 1.551 4.607 0 C-N-CA 126.958 2.103 . . . . 0.0 114.875 -178.079 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.0 141.36 32.92 Favored 'General case' 0 N--CA 1.532 3.638 0 C-N-CA 127.69 2.396 . . . . 0.0 113.69 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -120.14 112.33 18.96 Favored 'General case' 0 C--O 1.3 3.717 0 C-N-CA 126.708 2.003 . . . . 0.0 111.525 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.254 33.4 m -105.3 160.12 5.45 Favored 'Isoleucine or valine' 2 N--CA 1.572 5.641 0 O-C-N 126.458 2.349 . . . . 0.0 115.25 -175.781 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.302 25.5 ptt? -127.13 116.77 21.18 Favored 'General case' 2 N--CA 1.563 5.198 0 C-N-CA 127.809 2.444 . . . . 0.0 114.017 -175.164 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 . . . . . 0 CA--C 1.628 3.96 0 C-N-CA 126.999 2.119 . . . . 0.0 109.788 -179.301 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m . . . . . 2 N--CA 1.549 4.509 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 1.546 ' CA ' ' CB ' ' B' ' 9' ' ' VAL . 3.3 t . . . . . 3 C--N 1.461 5.416 0 C-N-CA 126.848 2.059 . . . . 0.0 107.596 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.324 10.4 pt-20 . . . . . 1 N--CA 1.551 4.618 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 2 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -102.19 142.73 32.96 Favored 'General case' 1 N--CA 1.549 4.501 0 C-N-CA 126.145 1.778 . . . . 0.0 113.043 -177.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -126.96 131.49 51.06 Favored 'General case' 1 C--N 1.434 4.251 0 C-N-CA 124.712 1.205 . . . . 0.0 110.884 -177.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.295 11.6 pt-20 -105.97 113.25 26.69 Favored 'General case' 0 C--N 1.422 3.728 0 C-N-CA 126.454 1.902 . . . . 0.0 112.407 175.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -111.46 136.59 47.08 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.284 0 C-N-CA 124.742 1.217 . . . . 0.0 109.136 -178.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -121.95 116.19 23.9 Favored 'General case' 0 N--CA 1.528 3.448 0 C-N-CA 125.76 1.624 . . . . 0.0 107.694 173.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.406 3.035 0 C-N-CA 126.949 2.1 . . . . 0.0 112.012 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.754 0 CA-C-O 119.256 -0.747 . . . . 0.0 113.401 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -156.19 170.28 22.6 Favored 'General case' 1 C--N 1.449 4.918 0 C-N-CA 128.547 2.739 . . . . 0.0 109.133 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 67.3 m -137.13 145.28 43.64 Favored 'General case' 1 C--N 1.444 4.69 0 C-N-CA 125.057 1.343 . . . . 0.0 111.028 169.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.503 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.545 2.3 pp -119.37 124.57 73.25 Favored 'Isoleucine or valine' 2 N--CA 1.57 5.533 0 N-CA-C 119.389 3.107 . . . . 0.0 119.389 -174.588 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.17 117.72 34.8 Favored 'General case' 1 C--N 1.44 4.518 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.006 -176.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.34 158.67 31.52 Favored Glycine 0 N--CA 1.512 3.709 0 C-N-CA 125.909 1.718 . . . . 0.0 113.229 -175.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.31 147.5 6.29 Favored Glycine 1 C--N 1.399 4.044 0 N-CA-C 118.366 2.106 . . . . 0.0 118.366 -171.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.251 8.5 p -101.87 -38.08 7.98 Favored 'General case' 1 N--CA 1.559 4.982 0 C-N-CA 126.342 1.857 . . . . 0.0 113.219 166.349 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -103.23 -36.29 8.14 Favored 'General case' 1 C--N 1.432 4.185 0 C-N-CA 125.885 1.674 . . . . 0.0 112.548 176.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.254 45.7 m-80 . . . . . 2 CA--C 1.655 4.999 0 C-N-CA 127.238 2.215 . . . . 0.0 112.641 179.651 . . . . . . . . 2 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 1 N--CA 1.556 4.864 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.278 0.7 OUTLIER -97.87 120.72 47.57 Favored 'Isoleucine or valine' 3 C--N 1.442 4.589 0 C-N-CA 125.844 1.658 . . . . 0.0 109.716 -177.401 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -126.83 149.25 49.8 Favored 'General case' 1 N--CA 1.54 4.068 0 C-N-CA 129.467 3.107 . . . . 0.0 112.002 -170.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -88.14 141.12 14.75 Favored 'Isoleucine or valine' 2 C--N 1.453 5.101 0 C-N-CA 125.93 1.692 . . . . 0.0 109.967 175.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.315 9.6 p -143.44 -29.43 0.52 Allowed 'General case' 1 N--CA 1.554 4.766 0 C-N-CA 127.363 2.265 . . . . 0.0 114.0 -177.837 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.9 tmtt? -121.38 125.05 46.01 Favored 'General case' 1 C--N 1.466 5.659 0 O-C-N 123.917 0.76 . . . . 0.0 111.206 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 1.63 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 43.4 mm -123.87 127.71 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.606 3.1 0 C-N-CA 126.988 2.115 . . . . 0.0 108.012 174.195 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.1 mp -83.74 124.1 75.43 Favored Pre-proline 1 CA--C 1.679 5.921 0 C-N-CA 126.163 1.785 . . . . 0.0 109.672 173.698 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.28 -19.96 66.11 Favored 'Trans proline' 3 C--N 1.54 10.612 0 C-N-CA 124.509 3.473 . . . . 0.0 117.779 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.97 41.23 1.53 Allowed Glycine 1 C--N 1.425 5.515 0 CA-C-O 118.272 -1.293 . . . . 0.0 115.601 176.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.71 -178.02 39.56 Favored Glycine 2 C--N 1.443 6.526 0 C-N-CA 125.333 1.444 . . . . 0.0 115.436 173.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.0 -38.58 27.29 Favored 'General case' 1 N--CA 1.543 4.218 0 C-N-CA 127.932 2.493 . . . . 0.0 116.104 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.44 -25.36 36.19 Favored 'General case' 2 N--CA 1.556 4.855 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 177.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.23 -45.85 11.6 Favored 'General case' 1 C--N 1.453 5.087 0 C-N-CA 127.81 2.444 . . . . 0.0 114.036 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -90.33 -51.45 5.42 Favored 'General case' 1 C--N 1.451 4.999 0 C-N-CA 127.584 2.354 . . . . 0.0 114.938 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.73 -31.37 16.59 Favored 'General case' 1 C--N 1.455 5.165 0 N-CA-C 117.071 2.248 . . . . 0.0 117.071 -174.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.64 -74.16 1.28 Allowed Glycine 2 C--N 1.468 7.892 0 CA-C-O 117.412 -1.771 . . . . 0.0 117.199 -175.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.251 43.8 mtp180 166.25 -23.06 0.0 OUTLIER 'General case' 2 N--CA 1.621 8.086 0 C-N-CA 130.437 3.495 . . . . 0.0 114.019 178.686 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.64 128.5 36.47 Favored 'General case' 1 C--N 1.458 5.301 0 N-CA-C 117.325 2.343 . . . . 0.0 117.325 -163.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.64 153.43 26.38 Favored 'General case' 0 N--CA 1.523 3.196 0 C-N-CA 128.939 2.896 . . . . 0.0 111.068 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.49 HG21 HG12 ' A' ' 43' ' ' ILE . 7.3 p -55.56 -25.63 18.21 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.452 0 C-N-CA 129.794 3.237 . . . . 0.0 116.112 179.087 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -91.61 8.47 36.59 Favored 'General case' 1 CA--C 1.664 5.354 0 C-N-CA 128.783 2.833 . . . . 0.0 112.382 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.19 -36.41 24.7 Favored 'General case' 2 C--N 1.488 6.588 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.251 50.7 m 45.44 118.71 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.798 0 C-N-CA 129.279 3.032 . . . . 0.0 116.619 178.45 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.501 HG21 HG22 ' A' ' 64' ' ' VAL . 6.7 mt -85.53 128.94 38.72 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.267 0 C-N-CA 124.845 1.258 . . . . 0.0 110.716 -174.77 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.25 1.5 pt? -95.92 -42.84 8.1 Favored 'General case' 0 C--N 1.425 3.877 0 O-C-N 125.162 1.539 . . . . 0.0 112.767 169.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -132.35 123.39 26.7 Favored 'General case' 1 C--N 1.451 4.987 0 O-C-N 124.867 1.354 . . . . 0.0 113.125 -176.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.504 ' O ' HG21 ' A' ' 67' ' ' VAL 0.375 2.8 p -120.9 129.71 75.4 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.26 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.348 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t30 74.87 0.53 3.57 Favored 'General case' 2 N--CA 1.627 8.417 0 C-N-CA 128.752 2.821 . . . . 0.0 111.089 -171.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.389 11.8 mm-40 86.57 15.33 0.11 Allowed 'General case' 3 N--CA 1.571 5.591 0 C-N-CA 131.452 3.901 . . . . 0.0 111.845 -161.115 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 64' ' ' VAL 0.353 5.0 m -93.15 155.12 3.16 Favored 'Isoleucine or valine' 1 C--N 1.477 6.12 0 C-N-CA 126.498 1.919 . . . . 0.0 113.05 -177.822 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.438 4.4 p30 -83.75 92.71 7.79 Favored 'General case' 0 C--N 1.403 2.909 0 O-C-N 126.063 2.102 . . . . 0.0 114.544 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.486 30.2 m -89.84 -7.32 10.82 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.273 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 177.251 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.292 17.0 ptm180 -46.97 -25.94 0.9 Allowed 'General case' 2 N--CA 1.582 6.137 0 C-N-CA 128.521 2.728 . . . . 0.0 118.192 178.294 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.12 77.13 1.07 Allowed 'General case' 1 C--N 1.445 4.754 0 C-N-CA 128.562 2.745 . . . . 0.0 107.325 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 18.8 m -142.56 162.68 18.37 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.902 0 C-N-CA 127.166 2.186 . . . . 0.0 110.935 178.586 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 p -78.66 165.23 23.88 Favored 'General case' 1 N--CA 1.572 5.654 0 C-N-CA 126.966 2.106 . . . . 0.0 111.822 166.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.269 54.3 p-80 -51.25 -53.23 37.39 Favored 'General case' 2 N--CA 1.6 7.06 0 C-N-CA 126.371 1.868 . . . . 0.0 114.218 175.532 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -57.71 -38.12 74.7 Favored 'General case' 2 N--CA 1.563 5.199 0 C-N-CA 127.028 2.131 . . . . 0.0 114.084 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.32 -23.0 63.73 Favored 'General case' 1 C--N 1.445 4.74 0 C-N-CA 129.039 2.935 . . . . 0.0 114.39 175.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.62 -33.99 15.63 Favored 'General case' 1 C--N 1.461 5.449 0 C-N-CA 126.75 2.02 . . . . 0.0 113.164 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.81 -42.8 53.96 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.728 0 C-N-CA 127.512 2.325 . . . . 0.0 111.549 177.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.87 -19.12 65.77 Favored 'General case' 1 N--CA 1.571 5.605 0 C-N-CA 128.931 2.892 . . . . 0.0 115.069 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.67 60.4 Favored 'General case' 1 C--N 1.435 4.298 0 C-N-CA 127.789 2.436 . . . . 0.0 112.356 168.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -91.42 -34.89 14.67 Favored 'General case' 2 C--N 1.458 5.317 0 C-N-CA 127.285 2.234 . . . . 0.0 113.261 176.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -78.76 -24.89 44.46 Favored 'General case' 1 C--N 1.431 4.141 0 C-N-CA 127.805 2.442 . . . . 0.0 113.294 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.358 11.1 pt-20 -70.09 -43.0 71.98 Favored 'General case' 2 N--CA 1.575 5.794 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 174.132 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -63.01 -23.12 67.3 Favored 'General case' 1 C--N 1.454 5.13 0 C-N-CA 126.051 1.74 . . . . 0.0 114.898 -176.519 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.03 -34.31 1.7 Allowed Glycine 1 C--N 1.423 5.416 0 N-CA-C 121.788 3.475 . . . . 0.0 121.788 170.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -156.67 -30.83 0.09 Allowed 'General case' 0 N--CA 1.535 3.81 0 C-N-CA 127.473 2.309 . . . . 0.0 111.886 -169.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.276 30.3 mm -130.88 99.91 4.42 Favored 'Isoleucine or valine' 2 C--N 1.44 4.516 0 C-N-CA 125.781 1.632 . . . . 0.0 108.236 -173.983 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.409 HG22 ' HB1' ' A' ' 84' ' ' ALA 0.313 0.8 OUTLIER -107.0 126.54 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.353 0 O-C-N 125.941 2.026 . . . . 0.0 114.123 -177.23 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.398 37.9 ptt180 -115.51 99.65 7.51 Favored 'General case' 1 N--CA 1.557 4.922 0 C-N-CA 125.997 1.719 . . . . 0.0 115.134 -176.797 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.59 141.01 31.96 Favored 'General case' 0 N--CA 1.529 3.49 0 C-N-CA 128.044 2.538 . . . . 0.0 113.588 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -120.96 113.0 19.47 Favored 'General case' 0 C--O 1.298 3.612 0 C-N-CA 126.81 2.044 . . . . 0.0 111.142 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 33.1 m -107.32 159.36 6.95 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.27 0 O-C-N 126.684 2.49 . . . . 0.0 115.131 -174.546 . . . . . . . . 3 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.36 0.0 OUTLIER -124.67 119.21 28.34 Favored 'General case' 2 N--CA 1.562 5.154 0 C-N-CA 127.1 2.16 . . . . 0.0 114.748 -176.498 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 . . . . . 0 N--CA 1.538 3.938 0 C-N-CA 128.477 2.711 . . . . 0.0 110.926 179.074 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.503 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 72.4 m . . . . . 2 CA--C 1.642 4.489 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 1.538 ' CA ' ' CB ' ' B' ' 9' ' ' VAL 0.262 3.2 t . . . . . 2 C--N 1.449 4.926 0 C-N-CA 126.492 1.917 . . . . 0.0 108.611 -174.767 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.07 -0.11 29.1 Favored 'General case' 1 N--CA 1.558 4.947 0 C-N-CA 126.326 1.851 . . . . 0.0 115.607 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 50.6 mtt -97.32 116.68 29.97 Favored 'General case' 1 N--CA 1.542 4.166 0 C-N-CA 126.764 2.026 . . . . 0.0 114.09 -176.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -103.75 165.83 10.8 Favored 'General case' 1 N--CA 1.543 4.222 0 CA-C-N 112.566 -2.107 . . . . 0.0 113.525 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.287 18.3 ptt? -107.27 158.0 17.47 Favored 'General case' 0 CA--C 1.627 3.919 0 C-N-CA 128.645 2.778 . . . . 0.0 115.047 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.303 10.8 pt-20 -129.83 121.95 27.75 Favored 'General case' 1 N--CA 1.55 4.567 0 C-N-CA 128.875 2.87 . . . . 0.0 111.923 -178.041 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -100.08 143.64 30.05 Favored 'General case' 1 N--CA 1.552 4.65 0 C-N-CA 126.085 1.754 . . . . 0.0 113.539 -174.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -129.39 131.42 46.81 Favored 'General case' 2 C--N 1.439 4.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.46 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.296 11.4 pt-20 -104.93 111.59 24.41 Favored 'General case' 0 C--N 1.423 3.761 0 C-N-CA 126.496 1.918 . . . . 0.0 112.465 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -113.63 142.1 27.31 Favored 'Isoleucine or valine' 2 N--CA 1.549 4.478 0 C-N-CA 125.552 1.541 . . . . 0.0 108.756 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 m -117.14 120.96 39.91 Favored 'General case' 0 N--CA 1.536 3.837 0 C-N-CA 125.9 1.68 . . . . 0.0 108.836 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.93 148.22 37.2 Favored 'General case' 0 N--CA 1.522 3.146 0 C-N-CA 127.475 2.31 . . . . 0.0 113.758 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -101.85 128.36 48.26 Favored 'General case' 0 N--CA 1.536 3.832 0 C-N-CA 126.771 2.029 . . . . 0.0 107.661 170.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -56.97 111.11 0.94 Allowed 'General case' 2 N--CA 1.56 5.073 0 C-N-CA 128.137 2.575 . . . . 0.0 112.866 -174.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.53 153.6 49.1 Favored Glycine 2 N--CA 1.551 6.346 0 N-CA-C 118.685 2.234 . . . . 0.0 118.685 -173.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -74.96 -30.32 61.17 Favored 'General case' 1 N--CA 1.574 5.758 0 C-N-CA 127.501 2.32 . . . . 0.0 114.228 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -94.39 -20.37 19.79 Favored 'General case' 1 C--N 1.434 4.243 0 C-N-CA 127.404 2.282 . . . . 0.0 113.07 173.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.47 59.1 0.43 Allowed Glycine 1 C--N 1.455 7.14 0 C-N-CA 125.967 1.746 . . . . 0.0 112.574 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.55 4.3 mm? 68.78 -47.4 0.56 Allowed 'General case' 2 C--N 1.448 4.852 0 N-CA-C 119.939 3.311 . . . . 0.0 119.939 -178.859 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.61 31.01 3.84 Favored Glycine 2 N--CA 1.524 4.56 0 C-N-CA 125.209 1.385 . . . . 0.0 116.058 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -156.22 172.41 18.5 Favored 'General case' 2 C--N 1.434 4.253 0 C-N-CA 128.985 2.914 . . . . 0.0 109.124 176.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.429 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 73.7 m -138.86 144.51 39.25 Favored 'General case' 1 C--N 1.445 4.749 0 C-N-CA 125.076 1.35 . . . . 0.0 110.883 168.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.582 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.631 2.0 pp -115.47 127.35 73.08 Favored 'Isoleucine or valine' 2 N--CA 1.553 4.723 0 N-CA-C 119.92 3.304 . . . . 0.0 119.92 -175.15 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' HB1' HD13 ' B' ' 6' ' ' ILE . . . -105.34 117.52 34.22 Favored 'General case' 1 C--N 1.448 4.89 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.12 -178.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.84 161.16 26.6 Favored Glycine 0 N--CA 1.512 3.719 0 O-C-N 124.552 1.157 . . . . 0.0 114.699 -174.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.29 162.27 26.29 Favored Glycine 0 C--N 1.397 3.918 0 N-CA-C 117.042 1.577 . . . . 0.0 117.042 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.3 p -104.62 -38.35 6.77 Favored 'General case' 1 N--CA 1.556 4.868 0 C-N-CA 127.098 2.159 . . . . 0.0 111.902 164.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.09 -30.34 9.33 Favored 'General case' 1 C--N 1.436 4.328 0 C-N-CA 126.568 1.947 . . . . 0.0 113.183 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -100.09 106.3 40.69 Favored Pre-proline 2 CA--C 1.661 5.231 0 C-N-CA 127.011 2.124 . . . . 0.0 113.101 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.555 ' HB3' ' H ' ' A' ' 34' ' ' ASP . 33.0 Cg_exo -68.64 169.88 16.42 Favored 'Trans proline' 3 C--N 1.546 10.967 0 C-N-CA 124.702 3.602 . . . . 0.0 117.743 177.201 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -119.22 -45.98 2.53 Favored 'General case' 2 C--N 1.443 4.65 0 C-N-CA 127.047 2.139 . . . . 0.0 111.902 167.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.299 3.8 tp -115.45 -31.29 1.96 Allowed 'Isoleucine or valine' 1 CA--C 1.648 4.738 0 C-N-CA 127.975 2.51 . . . . 0.0 112.219 -170.286 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.68 71.96 0.02 OUTLIER Glycine 0 C--N 1.391 3.615 0 C-N-CA 127.69 2.567 . . . . 0.0 113.289 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.555 ' H ' ' HB3' ' A' ' 30' ' ' PRO 0.496 8.3 m-20 73.91 80.54 0.12 Allowed 'General case' 2 N--CA 1.55 4.527 0 C-N-CA 131.111 3.765 . . . . 0.0 114.702 179.967 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -87.39 131.38 44.3 Favored Pre-proline 1 CA--C 1.644 4.582 0 C-N-CA 128.561 2.744 . . . . 0.0 115.952 -177.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -83.39 -39.98 0.12 Allowed 'Trans proline' 3 C--N 1.549 11.091 0 C-N-CA 123.358 2.705 . . . . 0.0 117.306 168.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 p -100.31 155.94 17.51 Favored 'General case' 2 C--N 1.447 4.839 0 C-N-CA 127.403 2.281 . . . . 0.0 114.491 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.458 HG12 HG12 ' A' ' 69' ' ' VAL 0.273 1.0 OUTLIER -96.34 119.27 44.18 Favored 'Isoleucine or valine' 3 C--N 1.451 5.013 0 C-N-CA 125.797 1.639 . . . . 0.0 109.611 -178.276 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -121.25 147.13 46.06 Favored 'General case' 1 N--CA 1.542 4.142 0 C-N-CA 129.585 3.154 . . . . 0.0 112.079 -170.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.59 139.64 17.05 Favored 'Isoleucine or valine' 2 C--N 1.45 4.977 0 C-N-CA 125.873 1.669 . . . . 0.0 110.349 176.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.384 13.8 p -145.81 -24.95 0.46 Allowed 'General case' 1 N--CA 1.556 4.86 0 C-N-CA 127.239 2.216 . . . . 0.0 114.239 -179.598 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.1 tmtm? -121.38 125.63 47.43 Favored 'General case' 1 C--N 1.472 5.907 0 CA-C-N 118.439 0.563 . . . . 0.0 111.043 177.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.636 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 43.2 mm -123.92 129.62 74.24 Favored 'Isoleucine or valine' 0 C--N 1.415 3.431 0 C-N-CA 126.867 2.067 . . . . 0.0 108.647 173.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.291 3.2 mp -83.86 131.02 52.98 Favored Pre-proline 2 CA--C 1.678 5.903 0 C-N-CA 126.391 1.877 . . . . 0.0 110.517 172.62 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.96 -21.44 63.83 Favored 'Trans proline' 3 C--N 1.538 10.503 0 C-N-CA 124.168 3.245 . . . . 0.0 117.649 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.58 38.7 1.95 Allowed Glycine 1 C--N 1.429 5.723 0 CA-C-O 117.911 -1.494 . . . . 0.0 116.397 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.53 -178.12 38.37 Favored Glycine 2 C--N 1.444 6.536 0 C-N-CA 124.937 1.256 . . . . 0.0 115.898 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.01 -37.63 28.85 Favored 'General case' 0 N--CA 1.539 3.977 0 C-N-CA 128.472 2.709 . . . . 0.0 115.778 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.42 -23.61 37.43 Favored 'General case' 2 N--CA 1.56 5.037 0 C-N-CA 126.755 2.022 . . . . 0.0 116.069 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.04 -42.89 16.94 Favored 'General case' 1 C--N 1.447 4.825 0 C-N-CA 127.403 2.281 . . . . 0.0 113.242 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -91.24 -57.24 2.86 Favored 'General case' 1 C--N 1.451 4.987 0 C-N-CA 127.309 2.244 . . . . 0.0 115.215 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.71 -33.15 15.88 Favored 'General case' 2 C--N 1.46 5.37 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 -172.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.52 -50.8 3.88 Favored Glycine 2 C--N 1.438 6.225 0 N-CA-C 117.308 1.683 . . . . 0.0 117.308 -173.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.593 99.3 mtt180 91.61 53.0 0.0 OUTLIER 'General case' 2 N--CA 1.574 5.725 0 C-N-CA 130.707 3.603 . . . . 0.0 116.745 -179.31 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.25 129.19 56.05 Favored 'General case' 0 C--N 1.415 3.454 0 C-N-CA 127.712 2.405 . . . . 0.0 111.21 170.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -111.1 154.39 24.34 Favored 'General case' 0 N--CA 1.525 3.321 0 C-N-CA 127.513 2.325 . . . . 0.0 110.794 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.484 HG22 HG12 ' A' ' 43' ' ' ILE . 6.2 p -53.52 -28.87 16.3 Favored 'Isoleucine or valine' 2 N--CA 1.569 5.478 0 C-N-CA 129.476 3.11 . . . . 0.0 115.983 178.421 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.283 9.7 p30 -91.13 8.62 34.71 Favored 'General case' 1 CA--C 1.656 5.054 0 C-N-CA 128.613 2.765 . . . . 0.0 113.798 178.612 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 2.0 m-20 -87.64 -31.87 19.55 Favored 'General case' 2 C--N 1.487 6.583 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -179.213 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m 46.84 121.02 0.0 OUTLIER 'General case' 2 N--CA 1.599 6.982 0 C-N-CA 129.098 2.959 . . . . 0.0 116.289 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.448 HG21 HG12 ' A' ' 64' ' ' VAL 0.278 35.1 mt -85.95 131.34 34.72 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.949 0 C-N-CA 124.371 1.068 . . . . 0.0 111.159 -175.441 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.272 1.6 pt? -98.67 -46.91 5.53 Favored 'General case' 0 C--N 1.425 3.871 0 O-C-N 124.975 1.422 . . . . 0.0 112.018 167.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -131.26 134.95 46.92 Favored 'General case' 1 C--N 1.447 4.81 0 O-C-N 125.143 1.527 . . . . 0.0 112.7 -176.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.448 HG12 HG21 ' A' ' 61' ' ' ILE 0.434 0.4 OUTLIER -121.62 141.59 41.43 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.12 0 C-N-CA 124.735 1.214 . . . . 0.0 110.987 172.347 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.5 m120 73.87 -5.3 2.06 Favored 'General case' 2 N--CA 1.606 7.37 0 C-N-CA 127.679 2.391 . . . . 0.0 114.975 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.556 12.7 pt-20 82.48 12.61 0.54 Allowed 'General case' 3 N--CA 1.578 5.958 1 C-N-CA 131.775 4.03 . . . . 0.0 112.043 -156.914 . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.276 0.3 OUTLIER -98.43 150.38 4.9 Favored 'Isoleucine or valine' 1 C--N 1.451 4.991 0 C-N-CA 129.593 3.157 . . . . 0.0 111.214 -177.941 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.375 4.3 p-10 -84.61 96.26 9.13 Favored 'General case' 0 C--N 1.407 3.069 0 C-N-CA 127.923 2.489 . . . . 0.0 114.108 -173.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.458 HG12 HG12 ' A' ' 38' ' ' ILE 0.348 0.6 OUTLIER -99.65 -2.59 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.691 0 CA-C-N 111.33 -2.668 . . . . 0.0 113.215 179.292 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -58.0 -21.12 43.26 Favored 'General case' 2 N--CA 1.578 5.949 0 C-N-CA 127.691 2.396 . . . . 0.0 115.609 175.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -155.85 81.41 1.01 Allowed 'General case' 1 C--N 1.457 5.261 0 C-N-CA 129.131 2.972 . . . . 0.0 109.503 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 35.5 m -146.46 163.35 9.29 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.432 0 C-N-CA 127.982 2.513 . . . . 0.0 109.94 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 p -76.11 161.94 28.43 Favored 'General case' 1 N--CA 1.563 5.221 0 C-N-CA 125.897 1.679 . . . . 0.0 111.97 164.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -46.22 -56.73 5.31 Favored 'General case' 4 N--CA 1.583 6.217 0 C-N-CA 128.855 2.862 . . . . 0.0 112.287 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.7 p -58.58 -34.76 71.45 Favored 'General case' 2 C--N 1.455 5.181 0 C-N-CA 127.23 2.212 . . . . 0.0 114.382 176.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.47 -23.73 61.09 Favored 'General case' 1 C--N 1.444 4.715 0 C-N-CA 128.807 2.843 . . . . 0.0 114.401 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.81 -29.24 17.69 Favored 'General case' 1 C--N 1.467 5.706 0 C-N-CA 125.949 1.7 . . . . 0.0 113.195 172.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.4 t -73.19 -39.97 57.11 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.762 0 C-N-CA 127.043 2.137 . . . . 0.0 111.199 172.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 7.9 mm-40 -67.69 -16.03 63.94 Favored 'General case' 1 N--CA 1.597 6.88 0 C-N-CA 128.464 2.706 . . . . 0.0 115.512 177.576 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.56 -29.37 52.14 Favored 'General case' 0 CA--C 1.625 3.859 0 C-N-CA 126.629 1.972 . . . . 0.0 111.373 165.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.491 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.269 11.7 mt -92.78 -33.95 14.08 Favored 'General case' 1 C--N 1.459 5.368 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -178.489 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -87.2 -36.47 17.98 Favored 'General case' 1 N--CA 1.54 4.063 0 C-N-CA 127.751 2.421 . . . . 0.0 114.244 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.274 37.3 mt-10 -85.16 -22.42 28.8 Favored 'General case' 2 N--CA 1.588 6.473 0 N-CA-C 119.197 3.036 . . . . 0.0 119.197 -178.045 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -22.18 62.08 Favored 'General case' 3 N--CA 1.583 6.216 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.79 -34.99 5.05 Favored Glycine 1 C--N 1.427 5.628 0 N-CA-C 120.488 2.955 . . . . 0.0 120.488 164.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 t -167.17 -30.39 0.02 OUTLIER 'General case' 1 N--CA 1.555 4.777 0 C-N-CA 127.965 2.506 . . . . 0.0 111.218 -173.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.267 28.4 mm -125.64 122.54 62.59 Favored 'Isoleucine or valine' 1 C--N 1.439 4.469 0 C-N-CA 125.375 1.47 . . . . 0.0 109.812 -177.92 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.491 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.391 21.9 m -124.26 118.15 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.916 0 C-N-CA 127.155 2.182 . . . . 0.0 112.176 176.686 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.419 37.9 ptt180 -110.39 100.06 8.97 Favored 'General case' 1 N--CA 1.561 5.112 0 C-N-CA 125.941 1.696 . . . . 0.0 115.005 -175.22 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -96.59 139.27 32.93 Favored 'General case' 0 N--CA 1.533 3.682 0 C-N-CA 128.012 2.525 . . . . 0.0 115.081 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -119.78 112.8 19.71 Favored 'General case' 1 C--O 1.324 5.021 0 C-N-CA 127.051 2.14 . . . . 0.0 111.14 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.263 32.4 m -106.4 158.0 6.66 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.109 0 O-C-N 127.08 2.737 . . . . 0.0 114.91 -176.903 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.29 25.8 ptt? -128.03 115.96 19.28 Favored 'General case' 1 N--CA 1.563 5.216 0 C-N-CA 128.094 2.558 . . . . 0.0 114.09 -176.04 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.343 38.4 ptt180 -137.79 143.44 41.08 Favored 'General case' 1 N--CA 1.554 4.743 0 C-N-CA 126.357 1.863 . . . . 0.0 113.247 179.613 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -77.91 143.28 37.84 Favored 'General case' 1 N--CA 1.561 5.112 0 C-N-CA 127.433 2.293 . . . . 0.0 114.91 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -66.14 123.63 85.74 Favored Pre-proline 2 N--CA 1.569 5.485 0 C-N-CA 128.396 2.678 . . . . 0.0 115.99 -174.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -75.08 152.65 40.65 Favored 'Trans proline' 3 C--N 1.551 11.233 0 C-N-CA 123.768 2.979 . . . . 0.0 116.308 174.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -67.54 -31.72 33.0 Favored 'Trans proline' 3 C--N 1.55 11.177 0 C-N-CA 123.912 3.074 . . . . 0.0 117.768 177.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.449 4.9 0 C-N-CA 126.448 1.899 . . . . 0.0 112.889 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.39 10.6 m . . . . . 0 N--CA 1.533 3.679 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.559 18.2 m 63.61 -37.46 0.04 OUTLIER 'Isoleucine or valine' 2 N--CA 1.602 7.162 0 C-N-CA 128.296 2.638 . . . . 0.0 117.585 -178.792 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -166.44 105.76 0.64 Allowed 'General case' 2 N--CA 1.545 4.315 0 C-N-CA 131.201 3.8 . . . . 0.0 106.464 -176.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -131.55 -75.61 0.52 Allowed 'General case' 2 C--N 1.441 4.565 0 C-N-CA 124.55 1.14 . . . . 0.0 113.3 -174.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.397 99.7 mtt180 75.95 -56.11 0.59 Allowed 'General case' 2 N--CA 1.587 6.398 0 C-N-CA 129.384 3.074 . . . . 0.0 113.352 -167.478 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 1.597 ' CA ' ' CB ' ' B' ' 6' ' ' ILE 0.716 7.5 tp 58.04 -48.05 0.08 OUTLIER 'Isoleucine or valine' 2 N--CA 1.584 6.23 0 C-N-CA 130.62 3.568 . . . . 0.0 119.123 177.648 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.268 69.3 m -49.91 82.96 0.0 OUTLIER 'General case' 2 N--CA 1.589 6.518 0 C-N-CA 127.812 2.445 . . . . 0.0 115.956 -176.29 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.582 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 69.0 m -131.69 -163.07 1.29 Allowed 'General case' 0 CA--C 1.629 3.988 0 C-N-CA 128.905 2.882 . . . . 0.0 111.439 -172.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.25 3.4 t . . . . . 1 C--N 1.435 4.325 0 C-N-CA 127.157 2.183 . . . . 0.0 109.364 -177.11 . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.538 0 CA-C-O 119.409 -0.662 . . . . 0.0 112.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.42 132.68 53.97 Favored 'General case' 0 C--N 1.426 3.913 0 C-N-CA 126.597 1.959 . . . . 0.0 112.692 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.9 ttt -100.36 110.48 22.7 Favored 'General case' 2 C--N 1.44 4.533 0 C-N-CA 126.556 1.942 . . . . 0.0 110.685 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.342 10.8 pt-20 -117.69 173.65 6.62 Favored 'General case' 1 N--CA 1.542 4.143 0 C-N-CA 127.237 2.215 . . . . 0.0 114.341 177.884 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.271 25.0 ptm -106.78 161.88 14.28 Favored 'General case' 1 CA--C 1.633 4.144 0 C-N-CA 127.923 2.489 . . . . 0.0 112.959 175.805 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.339 10.6 pt-20 -124.53 122.14 36.75 Favored 'General case' 1 N--CA 1.549 4.477 0 C-N-CA 126.665 1.986 . . . . 0.0 113.23 -175.391 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -104.66 145.15 30.75 Favored 'General case' 1 N--CA 1.545 4.313 0 C-N-CA 126.2 1.8 . . . . 0.0 113.358 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -123.47 131.99 53.8 Favored 'General case' 2 N--CA 1.549 4.521 0 C-N-CA 125.6 1.56 . . . . 0.0 114.007 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.299 12.0 pt-20 -108.75 109.04 20.09 Favored 'General case' 0 C--N 1.427 3.952 0 C-N-CA 125.738 1.615 . . . . 0.0 111.874 173.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -114.57 142.42 27.39 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.026 0 O-C-N 124.755 1.284 . . . . 0.0 110.84 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.253 0.8 OUTLIER -113.62 125.93 54.71 Favored 'General case' 2 N--CA 1.55 4.557 0 C-N-CA 127.084 2.153 . . . . 0.0 114.061 173.521 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -124.46 149.45 46.8 Favored 'General case' 0 N--CA 1.534 3.738 0 C-N-CA 127.362 2.265 . . . . 0.0 113.433 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -98.12 126.47 43.58 Favored 'General case' 2 N--CA 1.557 4.903 0 C-N-CA 126.976 2.111 . . . . 0.0 108.777 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -89.33 133.26 34.56 Favored 'General case' 0 N--CA 1.534 3.747 0 C-N-CA 127.477 2.311 . . . . 0.0 113.135 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.33 76.6 Favored Glycine 2 N--CA 1.549 6.186 0 N-CA-C 119.569 2.588 . . . . 0.0 119.569 170.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -90.08 -37.88 13.95 Favored 'General case' 1 N--CA 1.558 4.952 0 C-N-CA 126.307 1.843 . . . . 0.0 112.461 175.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 t -119.46 -21.84 7.25 Favored 'General case' 2 C--N 1.443 4.642 0 C-N-CA 127.027 2.131 . . . . 0.0 111.589 172.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.69 4.46 28.2 Favored Glycine 1 C--N 1.459 7.408 0 C-N-CA 125.598 1.57 . . . . 0.0 113.735 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.44 83.9 mt 61.6 120.98 0.01 OUTLIER 'General case' 2 C--N 1.473 5.944 0 C-N-CA 130.263 3.425 . . . . 0.0 115.387 -177.279 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.66 55.35 1.67 Allowed Glycine 1 C--N 1.419 5.189 0 C-N-CA 126.709 2.1 . . . . 0.0 118.163 -165.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -161.56 168.86 22.8 Favored 'General case' 3 N--CA 1.543 4.218 0 C-N-CA 128.576 2.75 . . . . 0.0 109.329 169.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.501 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.3 m -134.93 144.77 47.65 Favored 'General case' 1 C--N 1.448 4.857 0 C-N-CA 125.463 1.505 . . . . 0.0 110.809 169.409 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.448 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.572 2.2 pp -120.99 129.9 75.23 Favored 'Isoleucine or valine' 2 N--CA 1.576 5.855 0 N-CA-C 120.283 3.438 . . . . 0.0 120.283 -174.083 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.11 119.1 38.25 Favored 'General case' 1 C--N 1.445 4.722 0 CA-C-N 113.492 -1.686 . . . . 0.0 111.856 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.42 162.42 30.65 Favored Glycine 0 C--N 1.394 3.792 0 O-C-N 124.922 1.389 . . . . 0.0 114.734 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.65 132.14 1.55 Allowed Glycine 1 C--N 1.413 4.829 0 N-CA-C 119.094 2.398 . . . . 0.0 119.094 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.315 7.9 p -97.58 -33.58 11.29 Favored 'General case' 1 N--CA 1.561 5.076 0 C-N-CA 125.005 1.322 . . . . 0.0 113.247 161.0 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.43 2.2 p30 -113.01 -29.03 7.48 Favored 'General case' 1 C--N 1.445 4.753 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 174.137 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -100.52 113.66 65.57 Favored Pre-proline 2 CA--C 1.649 4.762 0 C-N-CA 126.587 1.955 . . . . 0.0 113.239 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -62.72 156.72 51.5 Favored 'Trans proline' 3 C--N 1.553 11.305 0 C-N-CA 124.303 3.335 . . . . 0.0 117.971 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -111.91 -46.0 3.27 Favored 'General case' 0 C--N 1.422 3.743 0 C-N-CA 128.008 2.523 . . . . 0.0 113.01 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.401 2.6 pp -133.48 -54.57 0.68 Allowed 'Isoleucine or valine' 2 N--CA 1.576 5.842 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -165.83 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.32 40.16 0.31 Allowed Glycine 0 C--N 1.377 2.822 0 C-N-CA 128.088 2.756 . . . . 0.0 111.991 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.41 5.3 m-20 82.6 72.52 0.02 OUTLIER 'General case' 2 N--CA 1.563 5.215 0 C-N-CA 130.885 3.674 . . . . 0.0 112.113 -177.832 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -93.13 122.33 63.63 Favored Pre-proline 1 CA--C 1.671 5.614 0 CA-C-N 112.376 -2.193 . . . . 0.0 114.183 -176.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -75.68 -26.57 9.74 Favored 'Trans proline' 3 C--N 1.553 11.308 0 C-N-CA 124.138 3.225 . . . . 0.0 117.739 174.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.2 m -91.28 150.98 21.09 Favored 'General case' 2 N--CA 1.554 4.731 0 C-N-CA 127.195 2.198 . . . . 0.0 113.812 -177.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.487 HG12 HG11 ' A' ' 69' ' ' VAL 0.269 0.8 OUTLIER -97.36 120.92 47.31 Favored 'Isoleucine or valine' 3 C--N 1.443 4.661 0 C-N-CA 125.465 1.506 . . . . 0.0 109.696 -178.042 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -125.63 158.85 33.66 Favored 'General case' 3 N--CA 1.547 4.387 0 C-N-CA 127.456 2.302 . . . . 0.0 111.746 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -88.55 142.84 12.34 Favored 'Isoleucine or valine' 1 C--N 1.46 5.4 0 C-N-CA 126.139 1.776 . . . . 0.0 109.449 172.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.421 ' HG1' HG13 ' B' ' 6' ' ' ILE 0.304 2.9 p -145.29 -26.5 0.47 Allowed 'General case' 1 N--CA 1.559 5.005 0 C-N-CA 127.554 2.342 . . . . 0.0 113.771 -177.261 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.9 tmtm? -126.33 129.73 49.42 Favored 'General case' 1 C--N 1.468 5.732 0 C-N-CA 123.538 0.735 . . . . 0.0 110.833 178.304 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.627 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 43.7 mm -124.91 131.21 72.89 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.313 0 C-N-CA 127.142 2.177 . . . . 0.0 108.805 174.53 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.297 3.7 mp -82.13 131.26 56.96 Favored Pre-proline 2 CA--C 1.678 5.898 0 C-N-CA 125.993 1.717 . . . . 0.0 110.775 171.812 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.94 -22.66 55.43 Favored 'Trans proline' 3 C--N 1.536 10.431 0 C-N-CA 124.228 3.285 . . . . 0.0 117.451 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.7 43.45 1.29 Allowed Glycine 1 C--N 1.429 5.696 0 O-C-N 124.795 1.309 . . . . 0.0 115.625 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.65 -177.84 32.43 Favored Glycine 2 C--N 1.437 6.189 0 C-N-CA 125.514 1.531 . . . . 0.0 115.284 174.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.72 -35.74 33.06 Favored 'General case' 1 N--CA 1.54 4.074 0 C-N-CA 127.711 2.404 . . . . 0.0 115.718 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.05 -25.83 36.8 Favored 'General case' 2 C--N 1.445 4.753 0 C-N-CA 126.792 2.037 . . . . 0.0 116.144 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.39 -42.35 15.79 Favored 'General case' 1 C--N 1.446 4.796 0 C-N-CA 127.272 2.229 . . . . 0.0 113.527 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -90.91 -57.11 2.92 Favored 'General case' 1 C--N 1.449 4.931 0 C-N-CA 127.286 2.234 . . . . 0.0 114.924 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.8 -33.73 15.59 Favored 'General case' 1 C--N 1.46 5.388 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 -173.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.7 -47.46 5.35 Favored Glycine 2 C--N 1.443 6.513 0 N-CA-C 117.343 1.697 . . . . 0.0 117.343 -174.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.56 99.0 mtt180 88.44 52.62 0.01 OUTLIER 'General case' 2 N--CA 1.576 5.873 0 C-N-CA 130.534 3.534 . . . . 0.0 116.218 -178.558 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.09 131.45 55.07 Favored 'General case' 0 C--N 1.417 3.514 0 C-N-CA 127.927 2.491 . . . . 0.0 111.528 171.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.35 156.12 22.05 Favored 'General case' 0 N--CA 1.529 3.518 0 C-N-CA 127.786 2.434 . . . . 0.0 110.463 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.489 HG23 HG12 ' A' ' 43' ' ' ILE . 5.6 p -57.04 -28.2 28.68 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.083 0 C-N-CA 128.775 2.83 . . . . 0.0 115.583 178.35 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -91.88 9.98 30.66 Favored 'General case' 1 CA--C 1.674 5.717 0 C-N-CA 128.889 2.875 . . . . 0.0 112.321 177.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.39 -34.0 18.92 Favored 'General case' 2 C--N 1.487 6.551 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.25 69.5 m 44.83 120.06 0.0 OUTLIER 'General case' 2 N--CA 1.588 6.43 0 C-N-CA 129.41 3.084 . . . . 0.0 116.878 176.387 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mt -84.98 126.46 40.31 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.973 0 C-N-CA 124.666 1.186 . . . . 0.0 110.106 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.26 1.2 pt? -91.38 -46.17 8.17 Favored 'General case' 1 C--N 1.43 4.071 0 C-N-CA 125.443 1.497 . . . . 0.0 111.837 170.691 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -129.08 128.38 43.41 Favored 'General case' 1 C--N 1.449 4.925 0 O-C-N 125.164 1.54 . . . . 0.0 113.257 -177.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.438 HG21 HG13 ' A' ' 69' ' ' VAL 0.253 3.5 t -116.07 130.51 70.67 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.086 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 -179.932 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 72.27 -1.38 2.93 Favored 'General case' 2 N--CA 1.612 7.658 0 C-N-CA 129.306 3.042 . . . . 0.0 114.902 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.396 12.0 mm-40 87.85 7.3 0.2 Allowed 'General case' 3 N--CA 1.579 6.019 0 C-N-CA 130.584 3.554 . . . . 0.0 111.717 -160.236 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.412 27.0 m -94.12 155.6 3.19 Favored 'Isoleucine or valine' 1 C--N 1.469 5.792 0 C-N-CA 127.048 2.139 . . . . 0.0 113.619 178.651 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.268 13.5 t70 -86.02 102.55 13.9 Favored 'General case' 0 C--N 1.42 3.647 0 C-N-CA 127.119 2.168 . . . . 0.0 112.013 -171.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.487 HG11 HG12 ' A' ' 38' ' ' ILE 0.315 1.0 OUTLIER -102.93 -16.75 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.438 0 CA-C-N 110.006 -3.27 . . . . 0.0 114.093 -177.94 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.338 38.7 ptt180 -52.53 -20.04 2.68 Favored 'General case' 2 N--CA 1.578 5.938 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 -179.155 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -149.28 76.85 1.34 Allowed 'General case' 1 C--N 1.436 4.365 0 C-N-CA 129.18 2.992 . . . . 0.0 109.492 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 27.9 m -143.97 167.06 12.75 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.253 0 C-N-CA 127.354 2.262 . . . . 0.0 110.272 177.772 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -79.37 162.76 25.35 Favored 'General case' 1 N--CA 1.562 5.144 0 C-N-CA 126.429 1.892 . . . . 0.0 111.522 166.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.286 56.2 p-80 -51.12 -54.18 27.56 Favored 'General case' 2 N--CA 1.6 7.038 0 C-N-CA 125.393 1.477 . . . . 0.0 114.327 176.839 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 t -61.37 -31.83 71.73 Favored 'General case' 3 N--CA 1.555 4.816 0 C-N-CA 127.232 2.213 . . . . 0.0 113.06 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.88 -23.17 60.69 Favored 'General case' 1 C--N 1.452 5.063 0 C-N-CA 128.278 2.631 . . . . 0.0 113.936 175.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.76 -33.03 15.89 Favored 'General case' 1 C--N 1.465 5.595 0 C-N-CA 126.237 1.815 . . . . 0.0 112.775 173.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.87 -40.46 78.91 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.745 0 C-N-CA 127.777 2.431 . . . . 0.0 111.124 174.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.457 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.9 mt-10 -63.33 -20.83 65.84 Favored 'General case' 2 N--CA 1.599 6.994 0 C-N-CA 127.971 2.509 . . . . 0.0 114.986 176.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.29 -28.25 53.33 Favored 'General case' 1 CA--C 1.632 4.097 0 C-N-CA 127.213 2.205 . . . . 0.0 112.396 168.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.49 -34.01 14.26 Favored 'General case' 2 C--N 1.457 5.249 0 C-N-CA 126.568 1.947 . . . . 0.0 114.848 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -85.93 -40.23 16.11 Favored 'General case' 1 N--CA 1.541 4.098 0 C-N-CA 127.276 2.23 . . . . 0.0 114.047 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 40.8 mt-10 -91.01 -5.09 55.82 Favored 'General case' 2 N--CA 1.583 6.189 0 N-CA-C 118.757 2.873 . . . . 0.0 118.757 -177.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.522 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -58.82 -21.84 57.39 Favored 'General case' 3 N--CA 1.588 6.47 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 178.337 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.26 -35.18 4.58 Favored Glycine 1 C--N 1.428 5.668 0 C-N-CA 126.442 1.972 . . . . 0.0 117.802 167.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.6 p 176.17 -37.71 0.01 OUTLIER 'General case' 2 N--CA 1.567 5.397 0 C-N-CA 130.17 3.388 . . . . 0.0 112.391 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.266 31.5 mm -119.01 113.13 40.53 Favored 'Isoleucine or valine' 0 C--N 1.427 3.945 0 C-N-CA 127.325 2.25 . . . . 0.0 107.901 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.522 HG22 ' HB1' ' A' ' 84' ' ' ALA . 94.8 t -113.66 138.13 44.43 Favored 'Isoleucine or valine' 1 CA--C 1.641 4.449 0 C-N-CA 128.512 2.725 . . . . 0.0 108.769 -174.166 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.362 0.0 OUTLIER -120.49 128.13 52.85 Favored 'General case' 1 N--CA 1.545 4.297 0 C-N-CA 126.899 2.08 . . . . 0.0 113.448 176.728 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -119.79 139.97 51.49 Favored 'General case' 0 N--CA 1.536 3.833 0 C-N-CA 127.688 2.395 . . . . 0.0 112.942 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -120.25 110.45 16.59 Favored 'General case' 0 C--O 1.299 3.692 0 C-N-CA 126.326 1.85 . . . . 0.0 111.178 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.258 27.2 m -106.01 160.83 5.64 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.714 0 O-C-N 126.632 2.457 . . . . 0.0 115.272 -175.362 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.284 18.5 ptp -119.92 125.84 49.43 Favored 'General case' 1 N--CA 1.57 5.54 0 C-N-CA 127.481 2.313 . . . . 0.0 114.889 -176.741 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -128.71 141.52 51.3 Favored 'General case' 1 N--CA 1.545 4.291 0 C-N-CA 127.746 2.418 . . . . 0.0 110.907 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -98.75 135.02 40.83 Favored 'General case' 0 CA--C 1.625 3.853 0 C-N-CA 127.302 2.241 . . . . 0.0 110.331 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -79.45 129.74 70.82 Favored Pre-proline 2 N--CA 1.564 5.244 0 C-N-CA 126.554 1.942 . . . . 0.0 114.692 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -72.53 149.09 49.07 Favored 'Trans proline' 3 C--N 1.553 11.292 0 C-N-CA 123.678 2.918 . . . . 0.0 116.371 176.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.83 -30.86 40.04 Favored 'Trans proline' 3 C--N 1.551 11.191 0 C-N-CA 123.953 3.102 . . . . 0.0 117.713 178.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.447 4.847 0 C-N-CA 126.541 1.936 . . . . 0.0 112.68 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.445 3.6 m . . . . . 1 N--CA 1.539 4.01 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 . . . . . . . . . 2 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.572 3.3 p 77.96 -42.31 0.09 OUTLIER 'Isoleucine or valine' 3 N--CA 1.567 5.393 0 C-N-CA 129.874 3.27 . . . . 0.0 115.095 -177.06 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . 0.261 14.4 t -128.4 -77.15 0.56 Allowed 'General case' 1 C--N 1.458 5.292 0 O-C-N 124.451 1.094 . . . . 0.0 111.903 -178.576 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.371 4.7 tt0 39.88 118.1 0.0 OUTLIER 'General case' 2 C--N 1.461 5.432 1 C-N-CA 132.043 4.137 . . . . 0.0 118.919 -179.87 . . . . . . . . 4 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -122.31 84.72 2.3 Favored 'General case' 0 C--O 1.292 3.302 0 CA-C-N 112.541 -2.118 . . . . 0.0 108.394 166.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.421 HG13 ' HG1' ' A' ' 41' ' ' THR 0.679 2.3 mm -93.16 63.74 0.36 Allowed 'Isoleucine or valine' 1 C--N 1.437 4.376 0 CA-C-O 123.74 1.733 . . . . 0.0 114.965 178.282 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 70.3 p -126.22 8.59 7.25 Favored 'General case' 2 N--CA 1.559 4.98 0 CA-C-N 110.027 -3.261 . . . . 0.0 113.446 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.448 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 62.4 m -79.12 -176.3 5.04 Favored 'General case' 3 N--CA 1.548 4.432 0 C-N-CA 128.441 2.696 . . . . 0.0 114.632 -175.007 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 2 C--N 1.446 4.776 0 C-N-CA 125.831 1.652 . . . . 0.0 107.803 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 CA-C-O 119.395 -0.67 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.18 125.96 52.76 Favored 'General case' 0 C--N 1.428 4.0 0 C-N-CA 126.417 1.887 . . . . 0.0 112.882 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.335 26.5 ptt? -108.74 15.69 23.42 Favored 'General case' 2 N--CA 1.565 5.32 0 C-N-CA 126.607 1.963 . . . . 0.0 115.095 179.393 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.96 175.2 7.52 Favored 'General case' 1 N--CA 1.55 4.544 0 C-N-CA 127.978 2.511 . . . . 0.0 113.536 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.277 21.5 ptp -106.04 159.82 15.77 Favored 'General case' 1 CA--C 1.63 4.054 0 C-N-CA 127.874 2.47 . . . . 0.0 114.622 -178.905 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.304 10.4 pt-20 -120.8 122.63 40.74 Favored 'General case' 1 N--CA 1.548 4.439 0 C-N-CA 128.498 2.719 . . . . 0.0 111.944 179.853 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.51 145.31 30.21 Favored 'General case' 1 N--CA 1.554 4.763 0 C-N-CA 125.966 1.706 . . . . 0.0 113.913 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -130.9 133.05 45.52 Favored 'General case' 2 C--N 1.444 4.699 0 C-N-CA 124.735 1.214 . . . . 0.0 111.615 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.291 11.5 pt-20 -106.46 112.86 26.05 Favored 'General case' 0 C--N 1.427 3.955 0 C-N-CA 126.378 1.871 . . . . 0.0 112.682 174.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -114.53 146.52 18.91 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.121 0 C-N-CA 125.346 1.458 . . . . 0.0 109.675 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -119.87 127.73 53.0 Favored 'General case' 2 N--CA 1.547 4.385 0 C-N-CA 126.291 1.837 . . . . 0.0 109.932 177.575 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.69 154.72 41.98 Favored 'General case' 1 N--CA 1.541 4.101 0 C-N-CA 127.997 2.519 . . . . 0.0 113.868 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -107.92 127.52 53.82 Favored 'General case' 2 N--CA 1.555 4.787 0 C-N-CA 126.828 2.051 . . . . 0.0 109.631 176.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.23 134.8 34.13 Favored 'General case' 0 N--CA 1.533 3.695 0 C-N-CA 128.468 2.707 . . . . 0.0 113.76 -174.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.28 -10.0 45.07 Favored Glycine 2 N--CA 1.549 6.211 0 N-CA-C 120.565 2.986 . . . . 0.0 120.565 167.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.334 30.5 p30 -74.57 -38.01 62.8 Favored 'General case' 2 N--CA 1.56 5.066 0 N-CA-C 115.926 1.825 . . . . 0.0 115.926 -179.147 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 t -117.75 -22.33 8.05 Favored 'General case' 2 C--N 1.434 4.281 0 C-N-CA 126.005 1.722 . . . . 0.0 112.611 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.49 14.26 13.2 Favored Glycine 1 C--N 1.455 7.194 0 C-N-CA 124.958 1.265 . . . . 0.0 113.297 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.766 33.1 mt 75.0 -43.83 0.53 Allowed 'General case' 1 C--N 1.451 5.011 0 C-N-CA 130.396 3.478 . . . . 0.0 119.856 -179.277 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.75 26.56 19.5 Favored Glycine 2 N--CA 1.537 5.38 0 N-CA-C 119.502 2.561 . . . . 0.0 119.502 168.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -156.45 172.66 18.13 Favored 'General case' 3 N--CA 1.548 4.472 0 C-N-CA 127.617 2.367 . . . . 0.0 109.92 176.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.485 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.2 m -137.5 142.99 41.48 Favored 'General case' 1 C--N 1.446 4.795 0 C-N-CA 125.491 1.516 . . . . 0.0 110.316 168.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.5 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.578 2.0 pp -119.28 131.79 70.95 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.396 0 N-CA-C 120.693 3.59 . . . . 0.0 120.693 -174.211 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.02 117.85 35.27 Favored 'General case' 1 C--N 1.446 4.787 0 CA-C-N 113.251 -1.795 . . . . 0.0 110.296 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.28 154.21 25.28 Favored Glycine 0 N--CA 1.515 3.949 0 C-N-CA 125.405 1.478 . . . . 0.0 113.61 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.3 142.61 4.37 Favored Glycine 1 C--N 1.411 4.703 0 N-CA-C 119.206 2.442 . . . . 0.0 119.206 -172.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 p -104.75 -41.22 5.72 Favored 'General case' 1 N--CA 1.553 4.71 0 C-N-CA 126.591 1.956 . . . . 0.0 112.476 163.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.99 -30.98 9.94 Favored 'General case' 1 C--N 1.434 4.254 0 C-N-CA 126.582 1.953 . . . . 0.0 113.308 177.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -100.09 113.68 65.36 Favored Pre-proline 2 CA--C 1.655 4.997 0 C-N-CA 127.077 2.151 . . . . 0.0 112.546 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -75.82 164.84 31.18 Favored 'Trans proline' 3 C--N 1.544 10.821 0 C-N-CA 123.823 3.015 . . . . 0.0 117.688 178.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -119.16 -51.07 2.34 Favored 'General case' 1 C--N 1.432 4.193 0 C-N-CA 126.843 2.057 . . . . 0.0 111.623 170.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.327 4.9 tp -113.99 7.98 7.76 Favored 'Isoleucine or valine' 1 CA--C 1.671 5.621 0 C-N-CA 126.487 1.915 . . . . 0.0 113.736 -171.114 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.63 -57.75 0.67 Allowed Glycine 1 C--N 1.401 4.16 0 C-N-CA 126.891 2.186 . . . . 0.0 112.289 -175.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -158.38 85.34 0.85 Allowed 'General case' 0 N--CA 1.539 3.982 0 C-N-CA 131.272 3.829 . . . . 0.0 108.275 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -97.04 114.59 64.93 Favored Pre-proline 2 CA--C 1.682 6.02 0 C-N-CA 126.088 1.755 . . . . 0.0 112.556 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -80.35 -32.76 1.19 Allowed 'Trans proline' 3 C--N 1.551 11.189 0 C-N-CA 123.953 3.102 . . . . 0.0 118.514 175.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.7 m -96.11 154.2 17.37 Favored 'General case' 2 N--CA 1.558 4.968 0 C-N-CA 127.024 2.13 . . . . 0.0 113.868 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.306 0.6 OUTLIER -93.04 113.87 28.75 Favored 'Isoleucine or valine' 3 C--N 1.455 5.195 0 C-N-CA 125.23 1.412 . . . . 0.0 109.694 -178.121 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -122.76 144.87 48.88 Favored 'General case' 0 C--O 1.303 3.909 0 C-N-CA 129.636 3.175 . . . . 0.0 111.848 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -87.55 141.15 14.72 Favored 'Isoleucine or valine' 2 C--N 1.445 4.718 0 C-N-CA 126.049 1.74 . . . . 0.0 110.196 176.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.311 5.7 p -144.79 -28.16 0.48 Allowed 'General case' 1 N--CA 1.553 4.693 0 C-N-CA 127.316 2.246 . . . . 0.0 114.14 -176.512 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 10.5 tmtt? -125.19 126.26 44.95 Favored 'General case' 1 C--N 1.471 5.864 0 O-C-N 123.652 0.595 . . . . 0.0 111.006 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.644 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.276 44.1 mm -123.5 128.68 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.259 0 C-N-CA 127.002 2.121 . . . . 0.0 108.438 175.083 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.303 3.2 mp -83.42 130.73 55.23 Favored Pre-proline 2 CA--C 1.681 6.003 0 C-N-CA 126.156 1.783 . . . . 0.0 110.924 174.597 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.81 -23.22 69.01 Favored 'Trans proline' 3 C--N 1.54 10.644 0 C-N-CA 124.439 3.426 . . . . 0.0 117.562 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.47 41.89 1.47 Allowed Glycine 1 C--N 1.43 5.76 0 CA-C-O 118.234 -1.315 . . . . 0.0 115.651 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.67 -177.49 33.9 Favored Glycine 2 C--N 1.439 6.258 0 C-N-CA 125.491 1.52 . . . . 0.0 115.587 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.67 -36.26 32.63 Favored 'General case' 1 N--CA 1.543 4.186 0 C-N-CA 127.726 2.411 . . . . 0.0 115.814 -177.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.28 -25.42 36.55 Favored 'General case' 2 C--N 1.442 4.602 0 C-N-CA 126.861 2.064 . . . . 0.0 116.146 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 -42.23 15.77 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 127.186 2.195 . . . . 0.0 113.537 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -90.94 -56.71 3.07 Favored 'General case' 2 C--N 1.448 4.883 0 C-N-CA 127.233 2.213 . . . . 0.0 115.005 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.79 -34.22 15.4 Favored 'General case' 1 C--N 1.459 5.338 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 -172.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.77 -52.41 3.15 Favored Glycine 2 C--N 1.443 6.475 0 N-CA-C 117.369 1.708 . . . . 0.0 117.369 -173.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.571 99.3 mtt180 92.73 55.2 0.0 OUTLIER 'General case' 2 N--CA 1.576 5.832 0 C-N-CA 130.796 3.638 . . . . 0.0 116.338 -178.476 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.01 131.34 55.13 Favored 'General case' 0 C--N 1.417 3.518 0 C-N-CA 127.919 2.488 . . . . 0.0 111.057 171.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -111.21 153.64 25.54 Favored 'General case' 0 N--CA 1.525 3.278 0 C-N-CA 127.482 2.313 . . . . 0.0 110.498 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 HG12 ' A' ' 43' ' ' ILE . 6.0 p -55.98 -28.31 24.45 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.005 0 C-N-CA 129.147 2.979 . . . . 0.0 115.929 178.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.94 9.94 30.93 Favored 'General case' 1 CA--C 1.671 5.601 0 C-N-CA 128.924 2.889 . . . . 0.0 112.194 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.272 1.6 m-20 -88.01 -32.28 18.89 Favored 'General case' 2 C--N 1.489 6.661 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -179.762 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 m 43.95 120.18 0.0 OUTLIER 'General case' 2 N--CA 1.599 6.98 0 C-N-CA 129.089 2.955 . . . . 0.0 116.733 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.556 HG21 HG22 ' A' ' 64' ' ' VAL . 8.3 mt -85.41 130.23 36.6 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.027 0 C-N-CA 124.709 1.203 . . . . 0.0 110.723 -174.813 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.258 1.5 pt? -96.11 -45.92 6.68 Favored 'General case' 1 C--N 1.431 4.144 0 O-C-N 125.134 1.521 . . . . 0.0 112.463 169.776 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -132.31 130.57 40.99 Favored 'General case' 1 C--N 1.45 4.959 0 O-C-N 125.081 1.488 . . . . 0.0 112.698 -175.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.556 HG22 HG21 ' A' ' 61' ' ' ILE 0.398 0.4 OUTLIER -120.52 140.97 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.639 0 O-C-N 123.795 0.685 . . . . 0.0 112.822 179.58 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.281 4.9 m-20 71.64 -75.56 0.07 Allowed 'General case' 1 N--CA 1.586 6.369 0 C-N-CA 127.949 2.5 . . . . 0.0 111.627 -175.935 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -159.0 7.89 0.11 Allowed 'General case' 2 CA--C 1.637 4.314 1 C-N-CA 133.259 4.624 . . . . 0.0 108.232 171.129 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.344 27.6 m -105.11 157.34 5.99 Favored 'Isoleucine or valine' 1 C--N 1.463 5.518 0 C-N-CA 126.668 1.987 . . . . 0.0 115.78 -165.104 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.371 4.3 p-10 -88.15 94.93 9.97 Favored 'General case' 0 C--N 1.417 3.515 0 C-N-CA 127.817 2.447 . . . . 0.0 113.121 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.452 21.7 m -87.62 -8.42 10.98 Favored 'Isoleucine or valine' 1 N--CA 1.562 5.139 0 CA-C-N 113.156 -1.838 . . . . 0.0 114.637 174.457 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -48.95 -26.86 2.73 Favored 'General case' 2 N--CA 1.594 6.757 0 C-N-CA 128.229 2.612 . . . . 0.0 116.177 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -148.14 78.96 1.45 Allowed 'General case' 1 C--N 1.448 4.887 0 C-N-CA 130.064 3.345 . . . . 0.0 109.523 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 1.589 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.275 19.2 m -141.2 165.32 19.33 Favored 'Isoleucine or valine' 1 N--CA 1.566 5.35 0 C-N-CA 126.543 1.937 . . . . 0.0 109.147 174.4 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 p -79.7 165.35 22.93 Favored 'General case' 1 N--CA 1.557 4.911 0 C-N-CA 127.808 2.443 . . . . 0.0 111.198 168.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -49.59 -54.84 15.99 Favored 'General case' 3 N--CA 1.579 5.994 0 C-N-CA 128.304 2.642 . . . . 0.0 111.537 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 t -64.14 -27.5 69.12 Favored 'General case' 1 C--N 1.451 5.007 0 C-N-CA 126.872 2.069 . . . . 0.0 113.399 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.66 -19.68 48.49 Favored 'General case' 1 C--N 1.476 6.106 0 C-N-CA 126.294 1.838 . . . . 0.0 112.695 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.09 -34.3 16.8 Favored 'General case' 1 C--N 1.465 5.625 0 C-N-CA 126.774 2.03 . . . . 0.0 112.914 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -74.88 -42.23 46.54 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.834 0 C-N-CA 126.903 2.081 . . . . 0.0 111.187 175.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.8 mt-10 -63.88 -22.89 67.13 Favored 'General case' 2 N--CA 1.607 7.419 0 C-N-CA 127.89 2.476 . . . . 0.0 115.079 178.259 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.47 -28.05 56.36 Favored 'General case' 0 CA--C 1.627 3.918 0 C-N-CA 126.825 2.05 . . . . 0.0 112.143 168.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 mt -92.99 -29.48 15.82 Favored 'General case' 1 C--N 1.463 5.506 0 C-N-CA 126.714 2.006 . . . . 0.0 115.543 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -88.0 -41.98 12.75 Favored 'General case' 1 N--CA 1.541 4.095 0 C-N-CA 127.227 2.211 . . . . 0.0 113.416 175.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.251 41.3 mt-10 -91.53 3.19 55.6 Favored 'General case' 2 N--CA 1.586 6.36 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -178.332 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.472 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -62.6 -25.65 68.2 Favored 'General case' 2 N--CA 1.586 6.357 0 C-N-CA 125.094 1.358 . . . . 0.0 114.257 175.279 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.94 -34.47 5.08 Favored Glycine 1 C--N 1.424 5.419 0 C-N-CA 126.972 2.225 . . . . 0.0 118.155 166.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.4 m 178.04 -31.68 0.01 OUTLIER 'General case' 1 N--CA 1.576 5.869 0 C-N-CA 130.139 3.376 . . . . 0.0 111.52 -173.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.267 31.0 mm -124.49 120.08 58.09 Favored 'Isoleucine or valine' 1 C--N 1.442 4.602 0 C-N-CA 126.792 2.037 . . . . 0.0 108.626 -177.012 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.472 HG22 ' HB1' ' A' ' 84' ' ' ALA . 33.2 t -121.44 121.63 65.13 Favored 'Isoleucine or valine' 0 CA--C 1.625 3.829 0 C-N-CA 127.585 2.354 . . . . 0.0 106.967 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.467 ' HB3' HG23 ' A' ' 11' ' ' THR 0.406 35.7 ptt180 -118.95 107.45 13.57 Favored 'General case' 1 N--CA 1.563 5.21 0 C-N-CA 126.424 1.89 . . . . 0.0 114.655 -176.579 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 pp -100.29 141.52 33.01 Favored 'General case' 0 N--CA 1.537 3.902 0 C-N-CA 127.97 2.508 . . . . 0.0 114.987 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -119.07 111.96 18.95 Favored 'General case' 1 C--O 1.308 4.177 0 C-N-CA 126.715 2.006 . . . . 0.0 110.959 177.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.254 33.8 m -105.97 159.43 6.03 Favored 'Isoleucine or valine' 2 N--CA 1.569 5.475 0 O-C-N 126.656 2.472 . . . . 0.0 115.089 -175.884 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 3.8 ppp? -125.47 117.57 23.93 Favored 'General case' 1 N--CA 1.557 4.899 0 C-N-CA 127.769 2.428 . . . . 0.0 114.261 -176.291 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.349 37.9 ptt180 -127.55 128.58 45.86 Favored 'General case' 1 N--CA 1.546 4.363 0 C-N-CA 126.362 1.865 . . . . 0.0 113.008 179.124 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -79.85 139.81 37.02 Favored 'General case' 1 N--CA 1.559 4.977 0 C-N-CA 126.891 2.076 . . . . 0.0 115.25 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.4 123.77 88.77 Favored Pre-proline 2 N--CA 1.56 5.036 0 C-N-CA 127.882 2.473 . . . . 0.0 114.719 -175.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -74.09 147.21 37.88 Favored 'Trans proline' 3 C--N 1.551 11.21 0 C-N-CA 123.673 2.915 . . . . 0.0 116.558 176.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.95 -33.04 20.74 Favored 'Trans proline' 3 C--N 1.548 11.064 0 C-N-CA 123.803 3.002 . . . . 0.0 117.512 177.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.448 4.865 0 C-N-CA 126.542 1.937 . . . . 0.0 112.699 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.404 10.0 p . . . . . 0 CA--C 1.626 3.887 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.269 13.9 p -108.4 2.82 9.63 Favored 'Isoleucine or valine' 1 CA--C 1.672 5.646 0 C-N-CA 128.782 2.833 . . . . 0.0 110.62 175.332 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -133.48 -1.52 3.14 Favored 'General case' 2 C--N 1.448 4.851 0 C-N-CA 127.465 2.306 . . . . 0.0 113.874 -173.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -91.2 150.51 21.33 Favored 'General case' 2 C--N 1.437 4.374 0 C-N-CA 128.178 2.591 . . . . 0.0 113.525 -172.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.31 0.1 OUTLIER -118.63 -44.98 2.62 Favored 'General case' 0 C--N 1.413 3.347 0 C-N-CA 127.833 2.453 . . . . 0.0 111.946 168.576 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.822 2.6 mm 52.75 58.46 0.31 Allowed 'Isoleucine or valine' 2 C--N 1.462 5.471 0 C-N-CA 129.062 2.945 . . . . 0.0 118.431 -179.108 . . . . . . . . 3 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 12.6 t -117.63 15.1 14.56 Favored 'General case' 2 CA--C 1.652 4.885 0 CA-C-N 112.104 -2.316 . . . . 0.0 113.223 -178.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.5 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 60.2 m -86.57 -174.56 5.06 Favored 'General case' 3 N--CA 1.548 4.446 0 C-N-CA 126.819 2.048 . . . . 0.0 114.964 -174.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 2 C--N 1.438 4.446 0 C-N-CA 127.189 2.195 . . . . 0.0 109.704 -173.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.609 0 CA-C-O 119.378 -0.679 . . . . 0.0 112.845 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.19 128.04 53.21 Favored 'General case' 0 C--N 1.428 3.987 0 C-N-CA 126.397 1.879 . . . . 0.0 112.726 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.257 13.3 mmt -116.07 139.72 50.01 Favored 'General case' 0 C--N 1.427 3.937 0 C-N-CA 125.881 1.673 . . . . 0.0 115.314 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -120.55 175.05 6.18 Favored 'General case' 1 N--CA 1.554 4.768 0 C-N-CA 128.511 2.725 . . . . 0.0 110.707 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.323 26.7 ptt? -71.04 159.65 34.34 Favored 'General case' 3 N--CA 1.559 4.989 0 C-N-CA 127.059 2.144 . . . . 0.0 114.421 -179.35 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -117.55 123.46 46.3 Favored 'General case' 1 N--CA 1.542 4.168 0 C-N-CA 125.645 1.578 . . . . 0.0 113.318 -167.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -104.38 141.81 35.69 Favored 'General case' 1 N--CA 1.539 4.008 0 C-N-CA 126.845 2.058 . . . . 0.0 112.57 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -127.37 133.6 50.02 Favored 'General case' 1 N--CA 1.544 4.241 0 C-N-CA 124.856 1.263 . . . . 0.0 111.092 -176.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.291 11.7 pt-20 -106.74 112.61 25.67 Favored 'General case' 0 C--N 1.421 3.697 0 C-N-CA 126.492 1.917 . . . . 0.0 112.323 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.11 141.46 25.36 Favored 'Isoleucine or valine' 2 N--CA 1.556 4.844 0 C-N-CA 124.93 1.292 . . . . 0.0 109.969 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -114.4 122.58 47.08 Favored 'General case' 0 N--CA 1.536 3.837 0 C-N-CA 126.471 1.908 . . . . 0.0 112.926 171.032 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.4 mt -119.39 141.04 49.44 Favored 'General case' 0 N--CA 1.523 3.178 0 C-N-CA 126.755 2.022 . . . . 0.0 112.057 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -97.47 122.45 40.53 Favored 'General case' 1 N--CA 1.547 4.386 0 C-N-CA 126.461 1.904 . . . . 0.0 107.815 173.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -49.81 108.75 0.23 Allowed 'General case' 3 N--CA 1.567 5.41 0 C-N-CA 128.886 2.875 . . . . 0.0 113.976 -173.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.77 159.05 41.69 Favored Glycine 2 C--N 1.418 5.115 0 CA-C-N 113.08 -1.873 . . . . 0.0 117.48 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -80.83 -22.57 39.84 Favored 'General case' 1 N--CA 1.564 5.267 0 C-N-CA 127.431 2.292 . . . . 0.0 114.392 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.3 t -94.05 -21.33 19.22 Favored 'General case' 2 C--N 1.442 4.589 0 C-N-CA 126.876 2.07 . . . . 0.0 113.313 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.8 36.56 1.68 Allowed Glycine 1 C--N 1.458 7.359 0 C-N-CA 124.47 1.033 . . . . 0.0 113.539 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.513 14.1 mt 69.01 -21.28 0.15 Allowed 'General case' 2 N--CA 1.56 5.074 0 C-N-CA 130.52 3.528 . . . . 0.0 119.701 176.668 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.83 27.05 11.69 Favored Glycine 2 C--N 1.415 4.954 0 N-CA-C 117.592 1.797 . . . . 0.0 117.592 174.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -155.81 165.19 37.26 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 127.568 2.347 . . . . 0.0 110.401 176.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.5 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 72.1 m -132.37 142.44 49.31 Favored 'General case' 1 C--N 1.451 5.018 0 C-N-CA 125.497 1.519 . . . . 0.0 110.812 171.336 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.549 2.2 pp -119.67 124.57 73.12 Favored 'Isoleucine or valine' 2 N--CA 1.581 6.116 0 N-CA-C 119.963 3.32 . . . . 0.0 119.963 -174.753 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.42 117.93 35.61 Favored 'General case' 1 C--N 1.433 4.232 0 CA-C-N 113.373 -1.74 . . . . 0.0 111.391 -177.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.94 159.56 32.69 Favored Glycine 0 N--CA 1.508 3.452 0 C-N-CA 125.633 1.587 . . . . 0.0 113.673 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.81 145.92 5.7 Favored Glycine 1 C--N 1.401 4.163 0 N-CA-C 118.969 2.348 . . . . 0.0 118.969 -172.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.306 7.1 p -100.49 -36.48 9.18 Favored 'General case' 1 N--CA 1.554 4.733 0 C-N-CA 125.765 1.626 . . . . 0.0 113.237 163.583 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.431 2.0 p30 -110.47 -29.03 8.26 Favored 'General case' 1 C--N 1.444 4.713 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 173.814 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -100.84 101.37 15.48 Favored Pre-proline 2 CA--C 1.654 4.977 0 C-N-CA 126.566 1.947 . . . . 0.0 112.449 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -75.18 159.83 40.25 Favored 'Trans proline' 3 C--N 1.549 11.096 0 C-N-CA 123.753 2.969 . . . . 0.0 118.182 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -100.83 -42.75 6.34 Favored 'General case' 1 CA--C 1.63 4.048 0 C-N-CA 127.943 2.497 . . . . 0.0 112.254 174.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.355 0.0 OUTLIER -119.37 -44.77 2.78 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.247 0 C-N-CA 124.31 1.044 . . . . 0.0 113.636 -176.837 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.88 -56.1 0.02 OUTLIER Glycine 0 C--N 1.394 3.786 0 C-N-CA 127.29 2.376 . . . . 0.0 112.747 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -160.98 82.28 0.64 Allowed 'General case' 0 N--CA 1.537 3.899 0 C-N-CA 129.522 3.129 . . . . 0.0 105.737 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -98.35 99.76 7.88 Favored Pre-proline 1 CA--C 1.672 5.645 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.442 -178.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -74.91 -27.86 9.84 Favored 'Trans proline' 3 C--N 1.554 11.354 0 C-N-CA 124.005 3.136 . . . . 0.0 117.45 175.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.3 m -97.16 144.41 27.02 Favored 'General case' 2 C--N 1.441 4.545 0 C-N-CA 126.972 2.109 . . . . 0.0 112.255 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.292 0.9 OUTLIER -90.93 124.3 43.44 Favored 'Isoleucine or valine' 3 N--CA 1.549 4.496 0 C-N-CA 125.392 1.477 . . . . 0.0 110.584 -174.007 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -121.41 153.27 38.06 Favored 'General case' 1 N--CA 1.544 4.268 0 C-N-CA 127.964 2.506 . . . . 0.0 111.987 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -87.97 144.25 9.59 Favored 'Isoleucine or valine' 2 C--N 1.449 4.918 0 C-N-CA 125.947 1.699 . . . . 0.0 109.104 169.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.45 11.1 t -147.88 -25.77 0.36 Allowed 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 126.632 1.973 . . . . 0.0 113.721 -179.594 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.5 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 9.7 tmtt? -125.04 124.09 41.21 Favored 'General case' 1 C--N 1.462 5.493 0 O-C-N 124.015 0.822 . . . . 0.0 111.238 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.605 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 43.6 mm -121.94 129.51 75.36 Favored 'Isoleucine or valine' 0 C--N 1.41 3.199 0 C-N-CA 127.083 2.153 . . . . 0.0 108.063 173.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.298 3.2 mp -84.31 129.17 59.04 Favored Pre-proline 1 CA--C 1.68 5.976 0 C-N-CA 126.29 1.836 . . . . 0.0 110.408 174.446 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.92 -21.84 73.43 Favored 'Trans proline' 3 C--N 1.54 10.638 0 C-N-CA 124.464 3.443 . . . . 0.0 117.756 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.58 40.5 1.65 Allowed Glycine 1 C--N 1.428 5.69 0 CA-C-O 118.172 -1.349 . . . . 0.0 115.81 177.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.15 -177.84 36.07 Favored Glycine 2 C--N 1.442 6.446 0 C-N-CA 125.335 1.445 . . . . 0.0 115.713 173.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.79 -35.16 33.46 Favored 'General case' 1 N--CA 1.545 4.303 0 C-N-CA 127.571 2.348 . . . . 0.0 116.332 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.65 -25.41 35.63 Favored 'General case' 2 N--CA 1.556 4.863 0 C-N-CA 126.998 2.119 . . . . 0.0 115.989 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.47 -45.04 11.5 Favored 'General case' 1 C--N 1.449 4.901 0 C-N-CA 127.675 2.39 . . . . 0.0 113.868 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -51.02 5.61 Favored 'General case' 1 C--N 1.448 4.879 0 C-N-CA 127.383 2.273 . . . . 0.0 114.64 178.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.77 -31.94 16.32 Favored 'General case' 1 C--N 1.456 5.23 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -175.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.3 -74.18 1.28 Allowed Glycine 2 C--N 1.463 7.613 0 CA-C-O 117.45 -1.75 . . . . 0.0 117.167 -173.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 161.64 -22.02 0.0 OUTLIER 'General case' 2 N--CA 1.628 8.433 0 C-N-CA 130.917 3.687 . . . . 0.0 113.621 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.67 127.45 32.8 Favored 'General case' 1 C--N 1.452 5.053 0 N-CA-C 117.738 2.495 . . . . 0.0 117.738 -163.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.26 158.64 19.47 Favored 'General case' 0 N--CA 1.533 3.689 0 C-N-CA 129.097 2.959 . . . . 0.0 111.01 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.558 HG11 HG12 ' A' ' 43' ' ' ILE 0.259 2.5 m -53.09 -28.49 14.47 Favored 'Isoleucine or valine' 1 N--CA 1.633 8.711 0 C-N-CA 128.003 2.521 . . . . 0.0 116.125 174.906 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -90.05 7.59 36.92 Favored 'General case' 1 CA--C 1.664 5.33 0 C-N-CA 128.959 2.904 . . . . 0.0 112.051 -177.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.48 -39.6 16.12 Favored 'General case' 2 C--N 1.487 6.586 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 177.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.26 22.9 t 45.41 119.3 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.761 0 C-N-CA 129.432 3.093 . . . . 0.0 115.855 178.865 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.502 HG22 HG23 ' A' ' 64' ' ' VAL . 5.7 mt -85.72 127.5 40.06 Favored 'Isoleucine or valine' 1 N--CA 1.565 5.298 0 C-N-CA 124.861 1.264 . . . . 0.0 110.306 -176.528 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.4 pt? -94.23 -43.13 8.59 Favored 'General case' 0 C--N 1.421 3.701 0 O-C-N 125.127 1.517 . . . . 0.0 112.924 169.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -133.21 127.11 33.05 Favored 'General case' 2 C--N 1.449 4.904 0 O-C-N 124.862 1.351 . . . . 0.0 113.356 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.718 ' O ' ' HB ' ' A' ' 67' ' ' VAL 0.313 3.5 p -120.8 125.74 74.42 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.083 0 CA-C-O 118.952 -0.547 . . . . 0.0 112.328 179.946 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.263 46.1 m-80 78.96 -5.21 2.03 Favored 'General case' 2 N--CA 1.623 8.18 0 C-N-CA 129.083 2.953 . . . . 0.0 114.191 -166.736 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.327 5.8 tp10 86.53 23.97 0.06 Allowed 'General case' 3 N--CA 1.591 6.607 0 C-N-CA 131.547 3.939 . . . . 0.0 108.837 -159.579 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.718 ' HB ' ' O ' ' A' ' 64' ' ' VAL . 1.2 t -97.57 145.75 8.83 Favored 'Isoleucine or valine' 1 C--N 1.446 4.785 0 C-N-CA 129.766 3.226 . . . . 0.0 110.522 -178.36 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.436 4.4 p-10 -82.61 93.79 7.4 Favored 'General case' 0 C--N 1.405 3.0 0 O-C-N 125.682 1.864 . . . . 0.0 114.941 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.46 26.2 m -90.49 -8.6 10.6 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.947 0 CA-C-N 113.374 -1.739 . . . . 0.0 115.666 176.361 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -46.46 -26.15 0.8 Allowed 'General case' 2 N--CA 1.596 6.832 0 C-N-CA 128.203 2.601 . . . . 0.0 117.18 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -152.29 80.11 1.24 Allowed 'General case' 1 C--N 1.456 5.206 0 C-N-CA 129.739 3.216 . . . . 0.0 108.823 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 1.565 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.273 19.2 m -143.83 162.2 15.78 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.699 0 C-N-CA 127.062 2.145 . . . . 0.0 110.295 178.013 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -77.4 164.59 25.34 Favored 'General case' 1 N--CA 1.576 5.835 0 C-N-CA 126.461 1.904 . . . . 0.0 111.626 167.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.34 9.2 p-80 -53.64 -52.38 60.1 Favored 'General case' 2 N--CA 1.593 6.714 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 176.627 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -58.97 -34.76 72.18 Favored 'General case' 2 N--CA 1.571 5.602 0 C-N-CA 127.101 2.16 . . . . 0.0 113.883 176.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.77 -22.88 62.33 Favored 'General case' 1 C--N 1.454 5.147 0 C-N-CA 128.682 2.793 . . . . 0.0 114.073 175.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -35.84 14.88 Favored 'General case' 1 C--N 1.461 5.43 0 C-N-CA 126.666 1.986 . . . . 0.0 112.292 174.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.4 t -70.69 -40.61 77.15 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.532 0 C-N-CA 127.816 2.446 . . . . 0.0 111.869 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.3 mt-10 -64.2 -16.67 62.44 Favored 'General case' 1 N--CA 1.597 6.881 0 C-N-CA 127.954 2.501 . . . . 0.0 115.042 177.186 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.74 -29.51 32.86 Favored 'General case' 1 CA--C 1.634 4.181 0 C-N-CA 126.764 2.025 . . . . 0.0 112.439 167.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.33 -32.91 14.81 Favored 'General case' 2 C--N 1.459 5.335 0 N-CA-C 116.242 1.942 . . . . 0.0 116.242 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -86.91 -39.8 15.44 Favored 'General case' 0 N--CA 1.533 3.705 0 C-N-CA 127.508 2.323 . . . . 0.0 113.895 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.273 40.7 mt-10 -91.05 -11.57 38.34 Favored 'General case' 2 N--CA 1.58 6.063 0 N-CA-C 119.886 3.291 . . . . 0.0 119.886 -175.817 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.99 -24.0 56.36 Favored 'General case' 3 N--CA 1.598 6.929 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.09 -34.59 5.24 Favored Glycine 1 C--N 1.423 5.383 0 N-CA-C 119.651 2.62 . . . . 0.0 119.651 164.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 m -172.06 -34.32 0.01 OUTLIER 'General case' 1 N--CA 1.565 5.31 0 C-N-CA 129.102 2.961 . . . . 0.0 111.621 -172.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.261 23.6 mm -124.73 125.26 69.62 Favored 'Isoleucine or valine' 1 C--N 1.442 4.621 0 C-N-CA 126.168 1.787 . . . . 0.0 109.33 -176.741 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.368 18.9 m -122.79 121.98 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.931 0 C-N-CA 127.475 2.31 . . . . 0.0 112.462 176.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.378 36.9 ptt180 -113.26 98.88 7.4 Favored 'General case' 1 N--CA 1.549 4.517 0 C-N-CA 126.075 1.75 . . . . 0.0 114.369 -178.561 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.34 137.28 32.8 Favored 'General case' 0 N--CA 1.527 3.389 0 C-N-CA 127.494 2.318 . . . . 0.0 113.637 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -117.87 112.26 20.12 Favored 'General case' 0 C--O 1.299 3.658 0 C-N-CA 126.443 1.897 . . . . 0.0 111.15 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.6 m -106.7 159.92 6.31 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.067 0 O-C-N 127.0 2.688 . . . . 0.0 115.466 -174.753 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 4.0 ppp? -123.16 116.62 23.74 Favored 'General case' 1 N--CA 1.566 5.333 0 C-N-CA 127.717 2.407 . . . . 0.0 114.08 -176.106 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -123.89 164.83 18.47 Favored 'General case' 0 N--CA 1.533 3.684 0 C-N-CA 128.075 2.55 . . . . 0.0 111.313 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -90.57 147.12 23.55 Favored 'General case' 1 CA--C 1.638 4.331 0 C-N-CA 127.8 2.44 . . . . 0.0 110.108 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.304 21.0 pttp -55.9 118.62 21.21 Favored Pre-proline 2 CA--C 1.679 5.918 0 C-N-CA 128.539 2.736 . . . . 0.0 117.945 -175.455 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -81.4 153.25 18.18 Favored 'Trans proline' 3 C--N 1.549 11.102 0 C-N-CA 123.815 3.01 . . . . 0.0 116.616 174.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -70.54 140.75 40.42 Favored 'Trans proline' 3 C--N 1.551 11.188 0 C-N-CA 123.802 3.001 . . . . 0.0 116.263 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.434 4.258 0 C-N-CA 126.321 1.848 . . . . 0.0 113.05 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.484 5.8 m . . . . . 0 N--CA 1.529 3.496 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.349 9.1 p -86.37 -47.3 16.39 Favored 'Isoleucine or valine' 2 N--CA 1.544 4.243 0 C-N-CA 127.477 2.311 . . . . 0.0 112.128 178.067 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . 0.426 62.1 m 57.86 144.27 0.01 OUTLIER 'General case' 1 C--N 1.447 4.846 0 C-N-CA 130.648 3.579 . . . . 0.0 119.555 171.235 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.65 170.28 13.8 Favored 'General case' 0 CA--C 1.627 3.906 1 C-N-CA 132.746 4.419 . . . . 0.0 115.26 175.115 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -77.72 -31.01 52.03 Favored 'General case' 1 N--CA 1.551 4.582 0 C-N-CA 127.994 2.518 . . . . 0.0 112.24 172.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.657 9.7 tp 50.31 64.18 0.2 Allowed 'Isoleucine or valine' 2 N--CA 1.578 5.956 0 C-N-CA 130.349 3.46 . . . . 0.0 115.571 -178.04 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 76.7 p -118.1 20.83 13.08 Favored 'General case' 2 N--CA 1.572 5.645 0 CA-C-N 110.747 -2.933 . . . . 0.0 114.385 -174.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.7 m -92.76 -177.47 4.56 Favored 'General case' 1 CA--C 1.635 4.225 0 C-N-CA 127.62 2.368 . . . . 0.0 114.73 -172.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 2 C--N 1.45 4.978 0 C-N-CA 126.368 1.867 . . . . 0.0 107.537 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.416 0 CA-C-O 119.38 -0.678 . . . . 0.0 112.974 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.7 143.65 35.91 Favored 'General case' 0 N--CA 1.538 3.945 0 C-N-CA 126.625 1.97 . . . . 0.0 113.485 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.315 1.0 OUTLIER -98.79 149.39 22.93 Favored 'General case' 1 C--N 1.433 4.229 0 C-N-CA 125.947 1.699 . . . . 0.0 113.235 174.482 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.4 10.3 pt-20 -120.33 139.32 52.93 Favored 'General case' 0 N--CA 1.534 3.746 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -172.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.298 21.1 ptt? -75.95 139.17 41.44 Favored 'General case' 1 N--CA 1.545 4.309 0 C-N-CA 127.721 2.408 . . . . 0.0 114.152 178.742 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.393 11.2 pt-20 -115.06 114.45 25.38 Favored 'General case' 1 N--CA 1.546 4.354 0 C-N-CA 126.956 2.103 . . . . 0.0 114.526 -172.837 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.18 142.74 32.18 Favored 'General case' 0 N--CA 1.535 3.815 0 C-N-CA 126.614 1.966 . . . . 0.0 113.172 -176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -122.74 129.83 52.22 Favored 'General case' 1 N--CA 1.544 4.228 0 C-N-CA 125.465 1.506 . . . . 0.0 114.186 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.28 10.9 pt-20 -107.11 108.75 20.37 Favored 'General case' 0 C--N 1.421 3.684 0 C-N-CA 126.072 1.749 . . . . 0.0 111.841 174.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -116.54 133.72 62.27 Favored 'Isoleucine or valine' 2 N--CA 1.55 4.555 0 O-C-N 124.769 1.293 . . . . 0.0 111.179 -177.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.24 125.85 51.66 Favored 'General case' 1 N--CA 1.549 4.523 0 C-N-CA 127.89 2.476 . . . . 0.0 113.997 171.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -125.22 166.73 15.94 Favored 'General case' 1 N--CA 1.54 4.06 0 C-N-CA 127.817 2.447 . . . . 0.0 112.065 174.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -97.15 141.39 30.33 Favored 'General case' 2 C--N 1.438 4.43 0 C-N-CA 126.293 1.837 . . . . 0.0 110.219 173.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.9 108.86 17.15 Favored 'General case' 0 N--CA 1.538 3.972 0 C-N-CA 128.423 2.689 . . . . 0.0 114.203 -170.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.57 -61.85 3.9 Favored Glycine 2 N--CA 1.556 6.657 0 N-CA-C 118.458 2.143 . . . . 0.0 118.458 164.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -63.01 -21.82 66.42 Favored 'General case' 2 N--CA 1.572 5.656 0 C-N-CA 128.555 2.742 . . . . 0.0 115.735 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -91.14 -22.96 20.43 Favored 'General case' 2 C--N 1.448 4.884 0 C-N-CA 125.966 1.706 . . . . 0.0 112.79 176.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.8 62.05 0.75 Allowed Glycine 1 C--N 1.482 8.664 0 CA-C-O 118.565 -1.131 . . . . 0.0 114.939 170.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.68 112.21 2.74 Favored 'General case' 2 C--N 1.44 4.524 0 C-N-CA 126.55 1.94 . . . . 0.0 113.756 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.89 69.38 0.25 Allowed Glycine 1 C--N 1.415 4.925 0 C-N-CA 126.144 1.83 . . . . 0.0 115.961 -167.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -159.55 167.19 29.16 Favored 'General case' 1 CA--C 1.629 4.014 0 C-N-CA 129.571 3.148 . . . . 0.0 108.466 169.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.456 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.5 m -134.72 139.41 45.18 Favored 'General case' 1 C--N 1.455 5.18 0 CA-C-N 119.227 0.922 . . . . 0.0 111.297 166.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.492 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.447 2.0 pp -114.47 129.68 70.1 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.688 0 N-CA-C 118.829 2.899 . . . . 0.0 118.829 -172.877 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.72 118.04 36.03 Favored 'General case' 1 C--N 1.431 4.141 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.192 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.5 156.66 24.77 Favored Glycine 0 C--O 1.293 3.835 0 C-N-CA 125.896 1.712 . . . . 0.0 113.324 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.88 124.59 0.86 Allowed Glycine 1 C--N 1.42 5.211 0 N-CA-C 121.143 3.217 . . . . 0.0 121.143 -175.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.253 6.9 p -102.41 -34.34 9.2 Favored 'General case' 1 N--CA 1.548 4.443 0 O-C-N 126.356 1.856 . . . . 0.0 112.252 160.6 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -107.51 -36.2 6.54 Favored 'General case' 1 C--N 1.439 4.483 0 C-N-CA 125.73 1.612 . . . . 0.0 112.719 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -101.43 110.42 61.59 Favored Pre-proline 2 C--N 1.447 4.824 0 C-N-CA 126.851 2.06 . . . . 0.0 113.697 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.72 171.01 14.01 Favored 'Trans proline' 3 C--N 1.543 10.808 0 C-N-CA 124.241 3.294 . . . . 0.0 116.566 176.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . 0.273 77.9 t60 -119.44 -46.77 2.47 Favored 'General case' 1 C--N 1.439 4.47 0 C-N-CA 125.125 1.37 . . . . 0.0 112.07 167.002 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.331 4.4 tp -123.51 26.07 3.38 Favored 'Isoleucine or valine' 1 CA--C 1.665 5.37 0 C-N-CA 125.937 1.695 . . . . 0.0 113.339 -170.816 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.84 -66.36 0.58 Allowed Glycine 1 C--N 1.404 4.345 0 C-N-CA 125.395 1.474 . . . . 0.0 113.452 -175.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -168.29 83.51 0.18 Allowed 'General case' 1 N--CA 1.545 4.29 0 C-N-CA 130.633 3.573 . . . . 0.0 106.934 177.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -104.96 122.43 43.22 Favored Pre-proline 2 CA--C 1.675 5.783 0 C-N-CA 125.911 1.684 . . . . 0.0 112.173 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -76.52 -28.75 6.49 Favored 'Trans proline' 3 C--N 1.553 11.29 0 C-N-CA 123.997 3.131 . . . . 0.0 118.448 176.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 p -87.64 152.36 22.23 Favored 'General case' 2 N--CA 1.556 4.836 0 C-N-CA 127.124 2.17 . . . . 0.0 114.793 -176.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 1.619 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.313 0.8 OUTLIER -90.44 113.13 25.92 Favored 'Isoleucine or valine' 3 C--N 1.455 5.185 0 C-N-CA 125.53 1.532 . . . . 0.0 109.983 -177.646 . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -120.53 145.78 46.97 Favored 'General case' 0 N--CA 1.534 3.734 0 C-N-CA 129.165 2.986 . . . . 0.0 111.576 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mm -87.18 144.91 8.32 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.94 0 C-N-CA 126.148 1.779 . . . . 0.0 111.376 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.387 15.1 t -142.73 -33.38 0.46 Allowed 'General case' 1 N--CA 1.548 4.454 0 C-N-CA 126.528 1.931 . . . . 0.0 112.889 175.77 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.456 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.274 53.8 tptt -113.41 126.71 55.65 Favored 'General case' 1 C--N 1.459 5.341 0 O-C-N 124.442 1.089 . . . . 0.0 112.657 -179.05 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.628 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.272 37.9 mm -127.12 121.83 58.68 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.488 0 C-N-CA 127.329 2.252 . . . . 0.0 107.715 172.008 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.8 mp -79.09 134.0 60.25 Favored Pre-proline 2 CA--C 1.682 6.049 0 C-N-CA 126.523 1.929 . . . . 0.0 110.735 172.255 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.48 -20.48 60.85 Favored 'Trans proline' 3 C--N 1.535 10.352 0 C-N-CA 124.24 3.293 . . . . 0.0 117.731 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.71 43.23 1.31 Allowed Glycine 1 C--N 1.43 5.794 0 CA-C-O 118.178 -1.345 . . . . 0.0 116.308 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.46 -178.1 32.68 Favored Glycine 2 C--N 1.438 6.204 0 C-N-CA 125.168 1.365 . . . . 0.0 115.171 172.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.03 -37.53 28.97 Favored 'General case' 1 N--CA 1.54 4.071 0 C-N-CA 127.746 2.418 . . . . 0.0 115.503 -178.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.81 -22.59 39.88 Favored 'General case' 2 C--N 1.445 4.725 0 C-N-CA 126.807 2.043 . . . . 0.0 115.853 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.87 -42.06 13.53 Favored 'General case' 1 C--N 1.446 4.788 0 C-N-CA 127.121 2.168 . . . . 0.0 113.69 177.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -90.63 -55.32 3.62 Favored 'General case' 1 C--N 1.447 4.838 0 C-N-CA 127.106 2.162 . . . . 0.0 114.62 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.06 -32.25 15.96 Favored 'General case' 1 C--N 1.459 5.333 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -175.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.24 -47.31 4.72 Favored Glycine 2 C--N 1.443 6.499 0 N-CA-C 117.876 1.91 . . . . 0.0 117.876 -173.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.534 99.3 mtt180 87.05 52.13 0.01 OUTLIER 'General case' 2 N--CA 1.58 6.068 0 C-N-CA 130.357 3.463 . . . . 0.0 115.977 -178.36 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.89 127.05 55.31 Favored 'General case' 0 C--N 1.418 3.553 0 C-N-CA 127.944 2.497 . . . . 0.0 112.31 171.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -111.84 161.93 15.83 Favored 'General case' 0 N--CA 1.536 3.841 0 C-N-CA 128.392 2.677 . . . . 0.0 110.683 171.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.55 HG11 HG12 ' A' ' 43' ' ' ILE 0.277 2.9 m -52.82 -29.86 14.95 Favored 'Isoleucine or valine' 1 N--CA 1.63 8.558 0 C-N-CA 127.794 2.437 . . . . 0.0 116.174 175.284 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -90.43 7.96 36.11 Favored 'General case' 1 CA--C 1.668 5.505 0 C-N-CA 129.11 2.964 . . . . 0.0 112.046 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 1.9 m-20 -88.94 -36.06 16.11 Favored 'General case' 2 C--N 1.485 6.496 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 178.752 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.4 m 45.43 118.78 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.824 0 C-N-CA 128.559 2.744 . . . . 0.0 116.578 177.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mt -86.39 126.65 40.69 Favored 'Isoleucine or valine' 1 N--CA 1.561 5.123 0 C-N-CA 124.714 1.206 . . . . 0.0 110.216 -175.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.257 1.5 pt? -92.17 -44.6 8.7 Favored 'General case' 1 C--N 1.431 4.128 0 O-C-N 124.817 1.323 . . . . 0.0 112.434 170.764 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -131.79 134.25 45.62 Favored 'General case' 2 C--N 1.447 4.834 0 O-C-N 125.1 1.5 . . . . 0.0 113.201 -176.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.439 HG22 HG22 ' A' ' 69' ' ' VAL 0.297 14.3 t -116.36 137.28 50.63 Favored 'Isoleucine or valine' 1 N--CA 1.575 5.822 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.455 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.316 11.1 m120 76.0 -79.86 0.04 OUTLIER 'General case' 2 N--CA 1.586 6.372 0 C-N-CA 128.902 2.881 . . . . 0.0 111.602 -176.751 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -160.08 8.66 0.1 Allowed 'General case' 2 CA--C 1.637 4.297 1 C-N-CA 134.83 5.252 . . . . 0.0 106.813 170.804 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.369 25.1 m -103.43 155.25 5.5 Favored 'Isoleucine or valine' 1 C--N 1.46 5.37 0 C-N-CA 127.601 2.36 . . . . 0.0 115.319 -166.86 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.418 4.4 p30 -86.07 98.28 10.77 Favored 'General case' 0 C--N 1.412 3.291 0 C-N-CA 127.696 2.398 . . . . 0.0 114.504 -176.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.439 HG22 HG22 ' A' ' 64' ' ' VAL 0.392 19.1 m -91.41 -18.68 7.3 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.324 0 CA-C-N 112.649 -2.069 . . . . 0.0 114.631 176.228 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.306 16.9 ptm180 -43.46 -27.67 0.29 Allowed 'General case' 3 N--CA 1.586 6.372 0 C-N-CA 128.69 2.796 . . . . 0.0 117.548 -178.404 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -140.84 75.48 1.51 Allowed 'General case' 1 C--N 1.436 4.327 0 C-N-CA 129.489 3.116 . . . . 0.0 109.695 174.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 1.54 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.277 18.3 m -142.75 166.85 15.06 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.419 0 C-N-CA 126.825 2.05 . . . . 0.0 109.07 174.903 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 p -80.92 164.94 22.23 Favored 'General case' 1 N--CA 1.564 5.258 0 C-N-CA 127.725 2.41 . . . . 0.0 110.293 168.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.281 6.1 p80 -52.7 -49.66 64.91 Favored 'General case' 2 N--CA 1.601 7.118 0 C-N-CA 125.235 1.414 . . . . 0.0 113.193 176.681 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.9 p -55.64 -37.21 67.93 Favored 'General case' 2 C--N 1.44 4.513 0 C-N-CA 128.199 2.6 . . . . 0.0 114.832 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.74 -20.36 53.6 Favored 'General case' 1 C--N 1.464 5.583 0 C-N-CA 127.488 2.315 . . . . 0.0 113.277 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.67 -34.31 18.48 Favored 'General case' 1 C--N 1.467 5.71 0 C-N-CA 126.507 1.923 . . . . 0.0 112.693 172.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -72.69 -39.85 60.92 Favored 'Isoleucine or valine' 3 N--CA 1.595 6.781 0 C-N-CA 127.449 2.3 . . . . 0.0 111.245 176.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.7 mt-10 -62.69 -19.46 63.9 Favored 'General case' 2 N--CA 1.596 6.869 0 C-N-CA 128.286 2.634 . . . . 0.0 115.367 176.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.96 -28.62 39.59 Favored 'General case' 1 CA--C 1.632 4.1 0 C-N-CA 126.93 2.092 . . . . 0.0 112.026 168.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.67 -28.48 16.64 Favored 'General case' 2 C--N 1.457 5.267 0 C-N-CA 127.223 2.209 . . . . 0.0 116.482 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -90.45 -37.12 14.15 Favored 'General case' 1 N--CA 1.542 4.15 0 C-N-CA 127.557 2.343 . . . . 0.0 114.247 175.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.283 39.7 mt-10 -91.18 -15.73 28.85 Favored 'General case' 2 N--CA 1.591 6.602 0 N-CA-C 120.488 3.514 . . . . 0.0 120.488 -177.666 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.24 -24.43 18.58 Favored 'General case' 3 N--CA 1.605 7.301 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.24 -35.36 4.8 Favored Glycine 1 C--N 1.424 5.43 0 N-CA-C 119.245 2.458 . . . . 0.0 119.245 166.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.3 p -171.84 -34.31 0.02 OUTLIER 'General case' 1 N--CA 1.56 5.031 0 C-N-CA 128.03 2.532 . . . . 0.0 113.243 -174.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.298 42.2 mm -128.53 121.26 54.75 Favored 'Isoleucine or valine' 1 C--N 1.434 4.255 0 C-N-CA 126.177 1.791 . . . . 0.0 108.65 -176.257 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.13 122.15 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.041 0 C-N-CA 127.892 2.477 . . . . 0.0 111.955 -175.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -109.55 135.35 50.67 Favored 'General case' 1 N--CA 1.54 4.053 0 C-N-CA 126.41 1.884 . . . . 0.0 111.496 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -122.77 138.13 54.72 Favored 'General case' 0 N--CA 1.528 3.447 0 C-N-CA 128.106 2.563 . . . . 0.0 112.467 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -118.95 110.74 17.5 Favored 'General case' 0 C--O 1.304 3.955 0 C-N-CA 126.406 1.882 . . . . 0.0 110.58 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.264 23.2 m -105.78 159.9 5.79 Favored 'Isoleucine or valine' 2 N--CA 1.574 5.744 0 O-C-N 126.657 2.473 . . . . 0.0 115.088 -175.178 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.276 24.5 ptt? -128.59 121.89 29.73 Favored 'General case' 2 N--CA 1.578 5.939 0 C-N-CA 127.543 2.337 . . . . 0.0 114.686 -174.679 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -139.67 135.04 32.81 Favored 'General case' 1 N--CA 1.557 4.891 0 C-N-CA 127.462 2.305 . . . . 0.0 110.989 176.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -92.55 145.83 24.14 Favored 'General case' 0 CA--C 1.626 3.897 0 C-N-CA 126.149 1.78 . . . . 0.0 110.422 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.316 16.7 ptmt -67.19 117.91 50.92 Favored Pre-proline 2 CA--C 1.677 5.853 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 -173.721 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -84.28 145.71 10.91 Favored 'Trans proline' 3 C--N 1.546 10.927 0 C-N-CA 123.495 2.797 . . . . 0.0 116.49 173.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -71.82 128.49 14.23 Favored 'Trans proline' 3 C--N 1.549 11.084 0 C-N-CA 123.48 2.787 . . . . 0.0 116.103 174.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.428 4.008 0 C-N-CA 126.408 1.883 . . . . 0.0 112.965 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.311 8.3 p . . . . . 0 CA--C 1.593 2.625 0 CA-C-O 120.425 0.155 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.522 19.1 m 61.31 -19.74 0.0 OUTLIER 'Isoleucine or valine' 3 N--CA 1.613 7.708 0 N-CA-C 118.232 2.678 . . . . 0.0 118.232 -179.421 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 66.9 p -108.51 -60.27 1.76 Allowed 'General case' 0 C--N 1.422 3.743 0 C-N-CA 128.245 2.618 . . . . 0.0 116.61 -171.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.342 10.6 pt-20 -118.74 158.87 24.73 Favored 'General case' 2 C--N 1.463 5.533 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -173.291 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -70.86 -36.93 73.04 Favored 'General case' 3 N--CA 1.563 5.221 0 C-N-CA 128.595 2.758 . . . . 0.0 114.156 173.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.676 0.4 OUTLIER 61.57 59.44 0.19 Allowed 'Isoleucine or valine' 3 C--N 1.442 4.612 0 C-N-CA 130.714 3.605 . . . . 0.0 118.116 178.144 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.261 66.8 p -121.4 81.06 1.74 Allowed 'General case' 0 C--N 1.424 3.806 0 C-N-CA 126.934 2.094 . . . . 0.0 110.466 174.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.492 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 60.2 m -125.79 -176.14 3.54 Favored 'General case' 1 N--CA 1.539 4.011 0 C-N-CA 127.184 2.194 . . . . 0.0 112.316 -175.789 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.253 2.4 t . . . . . 1 C--N 1.444 4.702 0 C-N-CA 125.581 1.552 . . . . 0.0 108.348 -177.908 . . . . . . . . 2 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.434 0 CA-C-O 119.556 -0.58 . . . . 0.0 112.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.65 129.72 52.77 Favored 'General case' 0 C--N 1.426 3.909 0 C-N-CA 126.546 1.938 . . . . 0.0 112.906 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.0 mtt -111.2 135.44 51.72 Favored 'General case' 1 N--CA 1.548 4.452 0 C-N-CA 126.359 1.864 . . . . 0.0 114.068 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -111.11 -178.76 3.54 Favored 'General case' 1 N--CA 1.55 4.569 0 C-N-CA 127.065 2.146 . . . . 0.0 111.967 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.8 mmt -69.92 160.33 32.06 Favored 'General case' 2 N--CA 1.553 4.705 0 C-N-CA 129.421 3.088 . . . . 0.0 115.546 -172.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.43 10.9 pt-20 -129.28 110.82 12.27 Favored 'General case' 1 N--CA 1.55 4.565 0 C-N-CA 125.334 1.454 . . . . 0.0 114.651 -175.437 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -110.59 145.14 38.36 Favored 'General case' 1 N--CA 1.544 4.271 0 C-N-CA 126.51 1.924 . . . . 0.0 113.159 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -126.27 132.37 51.69 Favored 'General case' 1 N--CA 1.552 4.629 0 C-N-CA 125.728 1.611 . . . . 0.0 114.112 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.297 11.9 pt-20 -108.56 108.98 20.1 Favored 'General case' 1 C--N 1.428 4.001 0 C-N-CA 125.744 1.617 . . . . 0.0 111.904 172.813 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -113.93 145.36 19.88 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.262 0 C-N-CA 125.018 1.327 . . . . 0.0 111.088 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.41 127.23 55.61 Favored 'General case' 2 N--CA 1.554 4.739 0 C-N-CA 127.252 2.221 . . . . 0.0 113.75 172.813 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -128.21 148.53 50.62 Favored 'General case' 0 N--CA 1.534 3.768 0 C-N-CA 127.333 2.253 . . . . 0.0 113.01 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.92 127.42 47.41 Favored 'General case' 1 N--CA 1.548 4.438 0 C-N-CA 126.51 1.924 . . . . 0.0 110.309 178.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -87.3 120.78 28.94 Favored 'General case' 0 N--CA 1.536 3.852 0 C-N-CA 127.692 2.397 . . . . 0.0 113.257 -176.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.07 27.45 40.7 Favored Glycine 2 N--CA 1.543 5.829 0 N-CA-C 119.355 2.502 . . . . 0.0 119.355 172.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -90.68 -40.64 11.76 Favored 'General case' 1 N--CA 1.563 5.188 0 C-N-CA 126.103 1.761 . . . . 0.0 112.934 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.5 p -119.13 -21.42 7.62 Favored 'General case' 1 C--N 1.437 4.382 0 C-N-CA 127.191 2.196 . . . . 0.0 113.308 172.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.98 9.44 22.5 Favored Glycine 1 C--N 1.451 6.963 0 C-N-CA 125.784 1.659 . . . . 0.0 113.682 -177.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.458 78.4 mt 59.08 119.23 0.01 OUTLIER 'General case' 2 C--N 1.47 5.844 0 C-N-CA 130.355 3.462 . . . . 0.0 116.06 -178.285 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.21 54.07 1.82 Allowed Glycine 1 C--N 1.419 5.157 0 C-N-CA 126.623 2.059 . . . . 0.0 117.858 -167.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -160.15 172.21 17.86 Favored 'General case' 3 CA--C 1.635 4.236 0 C-N-CA 128.506 2.723 . . . . 0.0 109.005 168.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 70.0 m -137.01 142.4 42.51 Favored 'General case' 1 C--N 1.441 4.572 0 C-N-CA 125.534 1.533 . . . . 0.0 109.734 167.477 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.476 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.54 2.0 pp -118.35 126.12 74.82 Favored 'Isoleucine or valine' 2 N--CA 1.566 5.345 0 N-CA-C 119.56 3.171 . . . . 0.0 119.56 -175.286 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.532 ' HB3' HD12 ' B' ' 6' ' ' ILE . . . -103.82 117.52 34.53 Favored 'General case' 1 C--N 1.434 4.269 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.826 -177.141 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.63 164.95 28.43 Favored Glycine 0 N--CA 1.512 3.74 0 C-N-CA 125.77 1.652 . . . . 0.0 113.702 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.44 134.38 1.95 Allowed Glycine 1 C--N 1.411 4.704 0 N-CA-C 119.576 2.59 . . . . 0.0 119.576 -176.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.297 12.3 p -108.88 -39.32 5.36 Favored 'General case' 1 N--CA 1.554 4.742 0 C-N-CA 125.382 1.473 . . . . 0.0 113.36 160.286 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.47 -36.69 7.46 Favored 'General case' 2 C--N 1.434 4.269 0 C-N-CA 125.398 1.479 . . . . 0.0 113.427 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -101.82 123.62 43.26 Favored Pre-proline 2 CA--C 1.67 5.586 0 C-N-CA 126.988 2.115 . . . . 0.0 111.038 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.431 ' HB2' ' HB2' ' B' ' 3' ' ' SER . 12.0 Cg_exo -68.92 151.96 73.61 Favored 'Trans proline' 3 C--N 1.542 10.738 0 C-N-CA 123.797 2.998 . . . . 0.0 117.388 176.064 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . 0.287 0.5 OUTLIER -113.75 -37.66 4.49 Favored 'General case' 0 C--N 1.418 3.553 0 C-N-CA 127.927 2.491 . . . . 0.0 112.34 170.389 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.588 ' HA ' HG21 ' B' ' 1' ' ' VAL 0.362 2.3 pp -128.02 -54.15 1.48 Allowed 'Isoleucine or valine' 1 N--CA 1.565 5.286 0 C-N-CA 126.362 1.865 . . . . 0.0 115.188 -169.958 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' H ' HD11 ' A' ' 32' ' ' ILE . . . -170.5 34.79 0.17 Allowed Glycine 0 C--N 1.377 2.82 0 C-N-CA 128.674 3.035 . . . . 0.0 112.436 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.412 10.2 t70 84.96 73.75 0.02 OUTLIER 'General case' 2 N--CA 1.568 5.457 0 C-N-CA 131.329 3.852 . . . . 0.0 109.486 -177.366 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -58.86 134.13 86.89 Favored Pre-proline 2 CA--C 1.686 6.209 0 C-N-CA 128.914 2.886 . . . . 0.0 117.429 -175.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.33 -46.81 0.06 OUTLIER 'Trans proline' 3 C--N 1.536 10.436 0 C-N-CA 123.051 2.5 . . . . 0.0 116.659 168.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.9 p -100.8 162.86 12.62 Favored 'General case' 2 C--N 1.445 4.753 0 C-N-CA 127.71 2.404 . . . . 0.0 113.986 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 1.566 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.268 1.2 mm -92.38 127.35 44.63 Favored 'Isoleucine or valine' 3 C--N 1.454 5.151 0 C-N-CA 125.803 1.641 . . . . 0.0 109.429 -179.755 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -126.01 153.9 43.72 Favored 'General case' 1 N--CA 1.545 4.278 0 C-N-CA 127.419 2.288 . . . . 0.0 111.912 -173.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -90.33 141.81 13.84 Favored 'Isoleucine or valine' 1 C--N 1.453 5.091 0 C-N-CA 125.973 1.709 . . . . 0.0 109.071 171.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.654 ' HG1' HG12 ' B' ' 6' ' ' ILE 0.321 2.2 p -145.05 -26.73 0.48 Allowed 'General case' 1 N--CA 1.556 4.839 0 C-N-CA 127.344 2.257 . . . . 0.0 113.973 -176.64 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 11.7 tmtt? -126.83 127.9 45.71 Favored 'General case' 1 C--N 1.469 5.793 0 C-N-CA 123.431 0.692 . . . . 0.0 110.753 178.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.621 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.277 42.1 mm -124.44 129.82 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.158 0 C-N-CA 127.126 2.171 . . . . 0.0 108.554 175.31 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.307 4.0 mp -82.97 130.38 57.81 Favored Pre-proline 2 CA--C 1.681 5.985 0 C-N-CA 125.611 1.564 . . . . 0.0 110.733 172.875 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.36 -22.79 65.91 Favored 'Trans proline' 3 C--N 1.538 10.521 0 C-N-CA 124.396 3.398 . . . . 0.0 117.483 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.27 44.58 1.2 Allowed Glycine 1 C--N 1.429 5.706 0 C-N-CA 125.001 1.286 . . . . 0.0 115.354 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.34 -177.63 30.11 Favored Glycine 2 C--N 1.436 6.13 0 C-N-CA 125.508 1.528 . . . . 0.0 115.353 174.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.73 -35.38 33.48 Favored 'General case' 1 N--CA 1.54 4.047 0 C-N-CA 127.69 2.396 . . . . 0.0 115.744 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.14 -26.17 36.31 Favored 'General case' 2 C--N 1.445 4.739 0 C-N-CA 126.703 2.001 . . . . 0.0 116.239 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 -42.45 16.38 Favored 'General case' 1 C--N 1.444 4.695 0 C-N-CA 127.228 2.211 . . . . 0.0 113.481 177.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -90.95 -56.99 2.96 Favored 'General case' 1 C--N 1.448 4.889 0 C-N-CA 127.297 2.239 . . . . 0.0 115.086 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.89 -33.59 15.57 Favored 'General case' 1 C--N 1.46 5.389 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 -172.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.65 -49.84 4.2 Favored Glycine 2 C--N 1.443 6.501 0 N-CA-C 117.437 1.735 . . . . 0.0 117.437 -173.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.581 0.3 OUTLIER 90.26 53.84 0.01 OUTLIER 'General case' 2 N--CA 1.568 5.461 0 C-N-CA 130.551 3.541 . . . . 0.0 116.359 -178.149 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.01 131.13 55.31 Favored 'General case' 0 C--N 1.419 3.593 0 C-N-CA 127.856 2.462 . . . . 0.0 111.175 170.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.14 153.97 24.97 Favored 'General case' 0 N--CA 1.525 3.305 0 C-N-CA 127.532 2.333 . . . . 0.0 110.328 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG22 HG12 ' A' ' 43' ' ' ILE . 6.3 p -56.39 -27.95 25.48 Favored 'Isoleucine or valine' 2 CA--C 1.655 5.001 0 C-N-CA 128.847 2.859 . . . . 0.0 115.79 178.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -91.91 9.22 33.89 Favored 'General case' 1 CA--C 1.673 5.71 0 C-N-CA 128.937 2.895 . . . . 0.0 112.419 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.257 1.4 m-20 -87.29 -31.08 20.41 Favored 'General case' 2 C--N 1.487 6.549 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -179.769 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.5 t 44.56 122.84 0.0 OUTLIER 'General case' 2 N--CA 1.592 6.641 0 C-N-CA 129.536 3.134 . . . . 0.0 116.113 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.47 HG23 HG12 ' A' ' 64' ' ' VAL . 15.6 mt -84.79 130.55 35.85 Favored 'Isoleucine or valine' 2 N--CA 1.559 4.976 0 C-N-CA 125.029 1.332 . . . . 0.0 110.55 -176.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.256 1.5 pt? -96.02 -46.03 6.67 Favored 'General case' 1 C--N 1.43 4.068 0 O-C-N 125.071 1.482 . . . . 0.0 112.082 168.109 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -132.99 135.94 45.77 Favored 'General case' 1 C--N 1.45 4.978 0 O-C-N 125.05 1.469 . . . . 0.0 113.273 -176.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.47 HG12 HG23 ' A' ' 61' ' ' ILE 0.514 0.5 OUTLIER -119.37 142.07 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.769 0 C-N-CA 124.438 1.095 . . . . 0.0 112.957 173.646 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.306 86.1 m-20 73.6 -81.2 0.03 OUTLIER 'General case' 3 N--CA 1.57 5.546 0 C-N-CA 128.822 2.849 . . . . 0.0 111.045 -176.547 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -156.4 9.01 0.23 Allowed 'General case' 2 CA--C 1.638 4.349 1 C-N-CA 133.812 4.845 . . . . 0.0 107.231 170.089 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.377 28.3 m -104.89 154.04 6.49 Favored 'Isoleucine or valine' 1 C--N 1.454 5.147 0 C-N-CA 128.407 2.683 . . . . 0.0 115.614 -166.637 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -89.26 110.58 21.34 Favored 'General case' 0 C--N 1.415 3.448 0 CA-C-N 111.272 -2.694 . . . . 0.0 111.397 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.499 20.2 m -103.06 -16.17 7.64 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.393 0 CA-C-N 111.467 -2.606 . . . . 0.0 116.263 176.625 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.38 39.0 ptt180 -50.89 -19.24 0.94 Allowed 'General case' 2 N--CA 1.586 6.347 0 N-CA-C 118.689 2.848 . . . . 0.0 118.689 -178.797 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -147.17 73.53 1.3 Allowed 'General case' 1 C--N 1.435 4.319 0 C-N-CA 128.219 2.608 . . . . 0.0 107.55 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 1.559 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.288 15.6 m -142.11 162.94 19.34 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.692 0 C-N-CA 127.355 2.262 . . . . 0.0 110.792 177.846 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 p -79.13 163.81 24.77 Favored 'General case' 1 N--CA 1.571 5.586 0 C-N-CA 126.789 2.036 . . . . 0.0 111.566 166.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.282 3.3 p80 -54.66 -50.67 67.64 Favored 'General case' 2 N--CA 1.597 6.902 0 C-N-CA 125.824 1.649 . . . . 0.0 114.488 176.889 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.0 m -58.73 -35.56 72.9 Favored 'General case' 2 N--CA 1.565 5.284 0 C-N-CA 126.95 2.1 . . . . 0.0 113.58 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.08 61.86 Favored 'General case' 1 C--N 1.456 5.213 0 C-N-CA 128.706 2.803 . . . . 0.0 114.375 174.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.04 -29.64 18.26 Favored 'General case' 1 C--N 1.461 5.446 0 C-N-CA 126.711 2.004 . . . . 0.0 112.994 175.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.4 t -75.25 -41.58 43.9 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.843 0 C-N-CA 127.776 2.431 . . . . 0.0 110.162 172.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.85 -23.92 66.58 Favored 'General case' 2 N--CA 1.596 6.859 0 C-N-CA 128.898 2.879 . . . . 0.0 115.612 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.96 -28.57 61.56 Favored 'General case' 0 C--N 1.426 3.909 0 C-N-CA 127.089 2.155 . . . . 0.0 111.823 168.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' HA ' HG13 ' A' ' 88' ' ' VAL 0.254 12.0 mt -93.01 -34.03 13.89 Favored 'General case' 1 C--N 1.453 5.099 0 C-N-CA 127.263 2.225 . . . . 0.0 115.758 179.624 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -83.65 -36.2 24.0 Favored 'General case' 1 N--CA 1.546 4.36 0 C-N-CA 128.115 2.566 . . . . 0.0 113.203 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.267 40.6 mt-10 -87.93 -18.99 27.92 Favored 'General case' 2 N--CA 1.592 6.66 0 N-CA-C 119.601 3.185 . . . . 0.0 119.601 -177.537 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.47 -23.15 62.49 Favored 'General case' 3 N--CA 1.59 6.545 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.9 -34.91 5.38 Favored Glycine 1 C--N 1.425 5.49 0 N-CA-C 119.979 2.751 . . . . 0.0 119.979 165.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.5 t -172.59 -30.55 0.01 OUTLIER 'General case' 1 N--CA 1.567 5.388 0 C-N-CA 128.193 2.597 . . . . 0.0 111.147 -173.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.274 24.7 mm -124.25 124.26 68.26 Favored 'Isoleucine or valine' 1 C--N 1.439 4.466 0 C-N-CA 125.61 1.564 . . . . 0.0 109.578 -178.639 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.443 HG13 ' HA ' ' A' ' 81' ' ' LEU 0.378 19.7 m -125.12 122.34 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.855 0 C-N-CA 127.666 2.387 . . . . 0.0 112.8 178.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.433 33.8 ptt180 -114.68 105.78 13.45 Favored 'General case' 1 N--CA 1.552 4.673 0 C-N-CA 126.201 1.801 . . . . 0.0 115.157 -177.578 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.26 137.66 35.01 Favored 'General case' 0 N--CA 1.531 3.61 0 C-N-CA 128.2 2.6 . . . . 0.0 114.543 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -117.38 110.88 18.58 Favored 'General case' 1 C--O 1.312 4.388 0 C-N-CA 126.372 1.869 . . . . 0.0 111.003 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 27.2 m -105.83 159.77 5.86 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.449 0 O-C-N 127.001 2.688 . . . . 0.0 114.908 -176.699 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.286 23.7 ptm -127.0 119.63 27.11 Favored 'General case' 1 N--CA 1.565 5.32 0 C-N-CA 127.817 2.447 . . . . 0.0 114.51 -175.464 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -119.19 127.29 53.16 Favored 'General case' 0 C--N 1.417 3.521 0 C-N-CA 127.25 2.22 . . . . 0.0 107.986 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -84.25 136.11 34.07 Favored 'General case' 1 N--CA 1.553 4.694 0 C-N-CA 126.406 1.882 . . . . 0.0 115.966 -176.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.301 0.0 OUTLIER -62.24 121.35 65.75 Favored Pre-proline 2 CA--C 1.671 5.61 0 C-N-CA 128.008 2.523 . . . . 0.0 117.123 179.355 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -75.54 144.03 28.06 Favored 'Trans proline' 3 C--N 1.546 10.959 0 C-N-CA 123.481 2.787 . . . . 0.0 116.027 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -68.9 132.06 23.87 Favored 'Trans proline' 3 C--N 1.55 11.155 0 C-N-CA 123.776 2.984 . . . . 0.0 116.59 177.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.43 4.076 0 C-N-CA 126.594 1.957 . . . . 0.0 112.79 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . 0.588 HG21 ' HA ' ' A' ' 32' ' ' ILE 0.364 9.6 p . . . . . 0 CA--C 1.599 2.863 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.35 7.9 p -99.43 -43.72 11.46 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.149 0 C-N-CA 126.761 2.025 . . . . 0.0 114.642 -175.133 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 30' ' ' PRO . 69.7 m -150.42 121.6 7.78 Favored 'General case' 2 N--CA 1.56 5.072 0 C-N-CA 124.942 1.297 . . . . 0.0 112.718 -170.739 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.252 3.9 tt0 -149.86 123.14 8.96 Favored 'General case' 2 C--N 1.44 4.522 0 C-N-CA 125.022 1.329 . . . . 0.0 113.168 173.657 . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -121.68 83.39 2.08 Favored 'General case' 0 CA--C 1.624 3.791 0 CA-C-N 112.303 -2.226 . . . . 0.0 105.329 166.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.654 HG12 ' HG1' ' A' ' 41' ' ' THR 0.509 11.1 tp -97.45 69.5 0.46 Allowed 'Isoleucine or valine' 2 C--N 1.435 4.294 0 CA-C-O 123.116 1.436 . . . . 0.0 112.723 -177.924 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 76.3 p -120.09 20.27 12.11 Favored 'General case' 2 N--CA 1.563 5.186 0 CA-C-N 110.365 -3.107 . . . . 0.0 114.306 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.476 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 55.1 m -84.27 -168.67 2.26 Favored 'General case' 3 CA--C 1.65 4.817 0 C-N-CA 127.192 2.197 . . . . 0.0 114.997 -174.058 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 N--CA 1.555 4.817 0 C-N-CA 126.965 2.106 . . . . 0.0 109.378 -173.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.544 0 CA-C-O 119.459 -0.634 . . . . 0.0 112.905 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.81 145.97 28.96 Favored 'General case' 0 N--CA 1.538 3.946 0 C-N-CA 126.331 1.852 . . . . 0.0 114.123 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.715 20.9 mmt 75.4 108.63 0.07 Allowed 'General case' 2 C--N 1.441 4.569 0 C-N-CA 129.964 3.305 . . . . 0.0 118.523 -179.115 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.3 10.3 pt-20 -120.63 159.23 25.71 Favored 'General case' 0 N--CA 1.536 3.842 0 C-N-CA 128.873 2.869 . . . . 0.0 114.77 -175.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.329 26.1 ptt? -77.53 163.92 25.86 Favored 'General case' 2 N--CA 1.549 4.506 0 C-N-CA 127.39 2.276 . . . . 0.0 114.355 177.28 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -113.65 121.7 44.93 Favored 'General case' 1 N--CA 1.55 4.541 0 C-N-CA 125.91 1.684 . . . . 0.0 112.478 -170.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -107.07 144.55 33.59 Favored 'General case' 1 N--CA 1.548 4.448 0 C-N-CA 126.121 1.769 . . . . 0.0 113.237 -176.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -128.58 132.81 48.23 Favored 'General case' 1 C--N 1.437 4.384 0 C-N-CA 124.87 1.268 . . . . 0.0 110.892 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.292 11.6 pt-20 -106.7 113.44 26.94 Favored 'General case' 0 C--N 1.419 3.608 0 C-N-CA 126.469 1.908 . . . . 0.0 112.648 176.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -112.8 139.48 37.63 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.589 0 C-N-CA 124.738 1.215 . . . . 0.0 108.921 -179.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.471 HG22 ' HB3' ' A' ' 89' ' ' ARG . 1.9 m -120.21 121.55 38.99 Favored 'General case' 0 N--CA 1.529 3.524 0 C-N-CA 125.662 1.585 . . . . 0.0 108.704 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.9 mt -114.67 141.67 47.49 Favored 'General case' 0 N--CA 1.518 2.941 0 C-N-CA 127.302 2.241 . . . . 0.0 112.417 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -91.5 129.53 37.47 Favored 'General case' 2 CA--C 1.639 4.385 0 C-N-CA 127.16 2.184 . . . . 0.0 106.379 166.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -64.38 114.92 4.61 Favored 'General case' 1 N--CA 1.54 4.06 0 C-N-CA 128.448 2.699 . . . . 0.0 116.174 -174.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.93 159.43 37.76 Favored Glycine 2 C--N 1.423 5.365 0 CA-C-N 113.033 -1.894 . . . . 0.0 116.162 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -76.39 -22.32 54.93 Favored 'General case' 1 N--CA 1.569 5.525 0 C-N-CA 127.015 2.126 . . . . 0.0 115.228 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.3 m -94.55 -21.7 18.69 Favored 'General case' 1 C--N 1.438 4.417 0 C-N-CA 126.569 1.948 . . . . 0.0 114.727 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.42 45.89 0.77 Allowed Glycine 1 C--N 1.465 7.702 0 C-N-CA 124.495 1.045 . . . . 0.0 111.289 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.467 HD13 HG11 ' B' ' 9' ' ' VAL 0.572 3.0 mt 70.06 -83.59 0.03 OUTLIER 'General case' 1 C--N 1.438 4.44 0 C-N-CA 131.549 3.94 . . . . 0.0 115.52 -178.292 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.73 33.87 0.02 OUTLIER Glycine 0 C--N 1.387 3.405 0 C-N-CA 125.363 1.459 . . . . 0.0 113.947 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -158.57 168.43 26.92 Favored 'General case' 1 C--N 1.452 5.045 0 C-N-CA 128.057 2.543 . . . . 0.0 109.882 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -135.42 141.36 45.43 Favored 'General case' 1 C--N 1.452 5.024 0 C-N-CA 124.906 1.282 . . . . 0.0 110.55 168.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.469 2.4 pp -117.04 126.23 74.33 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.412 0 N-CA-C 119.133 3.012 . . . . 0.0 119.133 -173.302 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.17 117.52 34.96 Favored 'General case' 1 C--N 1.432 4.162 0 CA-C-N 113.281 -1.782 . . . . 0.0 110.7 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.07 158.47 28.38 Favored Glycine 1 N--CA 1.519 4.19 0 C-N-CA 125.682 1.61 . . . . 0.0 113.432 -175.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.97 140.24 3.4 Favored Glycine 1 C--N 1.41 4.68 0 N-CA-C 119.667 2.627 . . . . 0.0 119.667 -173.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.278 5.5 p -100.62 -40.13 7.55 Favored 'General case' 1 N--CA 1.551 4.612 0 C-N-CA 126.004 1.722 . . . . 0.0 112.782 162.763 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.422 2.0 p30 -107.14 -28.33 10.03 Favored 'General case' 1 C--N 1.443 4.669 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 174.188 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -100.6 101.73 16.4 Favored Pre-proline 2 CA--C 1.653 4.932 0 C-N-CA 126.52 1.928 . . . . 0.0 112.853 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -77.32 160.22 32.58 Favored 'Trans proline' 3 C--N 1.55 11.155 0 C-N-CA 123.761 2.974 . . . . 0.0 117.576 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -110.4 -54.09 2.62 Favored 'General case' 0 C--N 1.427 3.935 0 C-N-CA 127.011 2.124 . . . . 0.0 111.551 172.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.378 5.0 tp -113.92 -30.46 2.13 Favored 'Isoleucine or valine' 1 CA--C 1.649 4.781 0 C-N-CA 125.907 1.683 . . . . 0.0 115.288 -168.843 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.78 62.64 0.01 OUTLIER Glycine 1 C--N 1.401 4.15 0 C-N-CA 125.6 1.572 . . . . 0.0 114.43 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.451 9.3 m-20 60.17 66.69 0.93 Allowed 'General case' 2 N--CA 1.575 5.788 0 C-N-CA 129.831 3.252 . . . . 0.0 115.261 -179.915 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.87 128.89 24.65 Favored Pre-proline 1 CA--C 1.639 4.383 0 CA-C-N 112.211 -2.268 . . . . 0.0 114.768 -177.039 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -73.08 -23.07 18.66 Favored 'Trans proline' 3 C--N 1.553 11.338 0 C-N-CA 124.208 3.272 . . . . 0.0 118.683 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.2 p -81.66 142.87 32.33 Favored 'General case' 2 N--CA 1.556 4.839 0 C-N-CA 126.921 2.088 . . . . 0.0 115.066 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.286 1.0 OUTLIER -95.18 108.73 21.31 Favored 'Isoleucine or valine' 3 C--N 1.444 4.714 0 C-N-CA 125.785 1.634 . . . . 0.0 109.403 -176.789 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -114.16 148.78 36.69 Favored 'General case' 0 N--CA 1.532 3.664 0 C-N-CA 129.097 2.959 . . . . 0.0 111.646 -170.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -85.88 142.63 12.89 Favored 'Isoleucine or valine' 2 C--N 1.438 4.425 0 C-N-CA 126.455 1.902 . . . . 0.0 110.376 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.3 m -138.82 -39.86 0.5 Allowed 'General case' 0 N--CA 1.529 3.488 0 C-N-CA 127.468 2.307 . . . . 0.0 109.79 -170.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -126.18 130.87 51.84 Favored 'General case' 1 C--N 1.459 5.347 0 O-C-N 124.292 0.995 . . . . 0.0 111.13 -175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.63 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 46.7 mm -124.52 127.16 72.79 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.27 0 C-N-CA 126.723 2.009 . . . . 0.0 108.515 174.332 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.31 3.3 mp -81.47 130.46 61.85 Favored Pre-proline 2 CA--C 1.68 5.961 0 C-N-CA 126.353 1.861 . . . . 0.0 111.307 173.567 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.56 -22.8 64.71 Favored 'Trans proline' 3 C--N 1.54 10.627 0 C-N-CA 124.3 3.333 . . . . 0.0 117.657 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.94 39.3 1.84 Allowed Glycine 1 C--N 1.428 5.691 0 CA-C-O 118.15 -1.361 . . . . 0.0 115.642 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.1 -177.36 40.62 Favored Glycine 2 C--N 1.442 6.457 0 C-N-CA 125.595 1.569 . . . . 0.0 116.458 175.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.62 -39.28 27.74 Favored 'General case' 0 N--CA 1.535 3.823 0 C-N-CA 129.312 3.045 . . . . 0.0 115.026 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.7 -25.41 35.51 Favored 'General case' 2 C--N 1.447 4.848 0 C-N-CA 126.951 2.1 . . . . 0.0 116.141 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.82 -41.52 18.97 Favored 'General case' 1 C--N 1.446 4.761 0 C-N-CA 127.127 2.171 . . . . 0.0 113.655 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -90.94 -56.35 3.21 Favored 'General case' 1 C--N 1.452 5.064 0 C-N-CA 127.187 2.195 . . . . 0.0 114.953 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.1 -33.26 15.54 Favored 'General case' 2 C--N 1.46 5.388 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 -173.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.41 -48.01 4.69 Favored Glycine 2 C--N 1.438 6.242 0 N-CA-C 117.771 1.868 . . . . 0.0 117.771 -173.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.526 98.0 mtt180 89.75 53.54 0.01 OUTLIER 'General case' 2 N--CA 1.582 6.144 0 C-N-CA 130.567 3.547 . . . . 0.0 116.012 -178.793 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -111.43 132.09 54.72 Favored 'General case' 0 C--N 1.421 3.692 0 C-N-CA 127.121 2.168 . . . . 0.0 112.377 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.57 153.72 25.86 Favored 'General case' 0 N--CA 1.526 3.355 0 C-N-CA 128.095 2.558 . . . . 0.0 110.2 169.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.509 HG22 HG12 ' A' ' 43' ' ' ILE . 3.3 p -56.89 -25.48 22.23 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.189 0 C-N-CA 128.432 2.693 . . . . 0.0 116.097 -179.025 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.93 8.82 35.68 Favored 'General case' 1 CA--C 1.666 5.404 0 C-N-CA 128.879 2.872 . . . . 0.0 112.788 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.1 -32.87 24.51 Favored 'General case' 2 C--N 1.486 6.543 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t 45.78 121.89 0.0 OUTLIER 'General case' 2 N--CA 1.598 6.962 0 C-N-CA 129.662 3.185 . . . . 0.0 115.865 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 16.6 mt -84.77 130.91 35.24 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.243 0 C-N-CA 125.283 1.433 . . . . 0.0 110.829 -176.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.263 1.5 pt? -97.56 -45.45 6.4 Favored 'General case' 0 C--N 1.422 3.744 0 CA-C-N 114.366 -1.288 . . . . 0.0 112.279 167.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -132.22 134.57 45.49 Favored 'General case' 1 C--N 1.448 4.85 0 O-C-N 125.01 1.444 . . . . 0.0 113.084 -176.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.421 0.0 OUTLIER -120.35 134.63 63.21 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.428 0 C-N-CA 124.801 1.24 . . . . 0.0 111.255 173.819 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 75.31 -10.22 1.27 Allowed 'General case' 2 N--CA 1.606 7.374 0 C-N-CA 129.013 2.925 . . . . 0.0 114.536 -176.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.416 46.8 mt-10 95.83 6.62 0.03 OUTLIER 'General case' 3 N--CA 1.58 6.041 1 C-N-CA 132.039 4.135 . . . . 0.0 111.661 -159.299 . . . . . . . . 4 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.398 30.1 m -94.62 153.38 3.47 Favored 'Isoleucine or valine' 1 C--N 1.467 5.675 0 C-N-CA 127.381 2.272 . . . . 0.0 113.842 178.382 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.444 4.4 p-10 -83.62 101.81 11.75 Favored 'General case' 0 C--N 1.41 3.208 0 C-N-CA 127.264 2.226 . . . . 0.0 115.762 -172.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.456 25.7 m -100.55 -3.77 9.39 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.315 0 CA-C-N 112.611 -2.086 . . . . 0.0 115.312 175.678 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.297 38.3 ptt180 -47.48 -27.55 1.8 Allowed 'General case' 2 N--CA 1.58 6.067 0 C-N-CA 128.762 2.825 . . . . 0.0 117.744 179.149 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -151.02 80.11 1.32 Allowed 'General case' 1 C--N 1.442 4.593 0 C-N-CA 129.854 3.261 . . . . 0.0 108.69 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 18.7 m -142.98 162.37 17.43 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.642 0 C-N-CA 126.852 2.061 . . . . 0.0 110.579 178.105 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.1 164.47 25.66 Favored 'General case' 1 N--CA 1.57 5.569 0 C-N-CA 126.606 1.962 . . . . 0.0 112.217 167.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.271 6.7 p80 -51.27 -54.06 29.56 Favored 'General case' 2 N--CA 1.596 6.868 0 C-N-CA 126.441 1.896 . . . . 0.0 114.253 176.178 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.9 m -60.22 -36.64 78.16 Favored 'General case' 2 N--CA 1.565 5.302 0 C-N-CA 126.816 2.046 . . . . 0.0 113.494 177.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.54 -22.7 63.54 Favored 'General case' 1 C--N 1.455 5.194 0 C-N-CA 128.639 2.776 . . . . 0.0 114.266 174.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -33.98 15.76 Favored 'General case' 1 C--N 1.463 5.536 0 C-N-CA 126.648 1.979 . . . . 0.0 112.727 175.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.0 t -73.2 -41.91 58.31 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.564 0 C-N-CA 127.536 2.335 . . . . 0.0 111.225 176.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -57.78 -30.42 65.64 Favored 'General case' 2 N--CA 1.562 5.15 0 C-N-CA 128.874 2.87 . . . . 0.0 114.812 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.67 -29.11 67.51 Favored 'General case' 1 C--N 1.449 4.905 0 C-N-CA 127.428 2.291 . . . . 0.0 113.092 171.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.01 -29.57 16.53 Favored 'General case' 2 C--N 1.444 4.706 0 C-N-CA 127.375 2.27 . . . . 0.0 114.003 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -85.11 -28.32 25.66 Favored 'General case' 0 C--N 1.424 3.824 0 C-N-CA 127.589 2.356 . . . . 0.0 113.979 174.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.409 9.8 pt-20 -73.81 -44.08 56.89 Favored 'General case' 2 N--CA 1.583 6.194 0 N-CA-C 119.804 3.261 . . . . 0.0 119.804 178.047 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.33 -21.64 9.96 Favored 'General case' 2 C--N 1.45 4.971 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 -172.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.63 -34.77 4.2 Favored Glycine 1 C--N 1.42 5.201 0 N-CA-C 120.592 2.997 . . . . 0.0 120.592 167.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -162.05 -32.7 0.04 OUTLIER 'General case' 1 N--CA 1.544 4.246 0 C-N-CA 126.843 2.057 . . . . 0.0 113.596 -169.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 1.601 ' CA ' ' CB ' ' A' ' 87' ' ' ILE 0.287 45.0 mm -130.36 108.76 16.21 Favored 'Isoleucine or valine' 0 C--N 1.426 3.917 0 C-N-CA 126.664 1.986 . . . . 0.0 108.94 -175.047 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.258 0.0 OUTLIER -113.79 118.94 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.474 0 O-C-N 125.774 1.921 . . . . 0.0 112.422 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.471 ' HB3' HG22 ' A' ' 11' ' ' THR 0.423 37.6 ptt180 -111.42 99.93 8.61 Favored 'General case' 1 N--CA 1.558 4.97 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -176.4 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.94 139.35 30.62 Favored 'General case' 0 N--CA 1.53 3.559 0 C-N-CA 128.092 2.557 . . . . 0.0 113.934 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -119.91 112.32 19.05 Favored 'General case' 1 C--O 1.315 4.518 0 C-N-CA 126.802 2.041 . . . . 0.0 110.75 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.277 33.7 m -106.88 158.7 6.79 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.962 0 O-C-N 127.014 2.696 . . . . 0.0 115.299 -175.371 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.314 25.4 ptt? -124.76 116.94 23.11 Favored 'General case' 1 N--CA 1.562 5.136 0 C-N-CA 127.87 2.468 . . . . 0.0 114.625 -175.117 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -118.09 155.02 31.11 Favored 'General case' 0 N--CA 1.522 3.164 0 C-N-CA 128.594 2.758 . . . . 0.0 110.48 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -88.65 143.15 27.13 Favored 'General case' 1 N--CA 1.543 4.223 0 C-N-CA 126.934 2.094 . . . . 0.0 114.044 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.321 50.6 pttt -46.94 138.57 7.25 Favored Pre-proline 2 N--CA 1.576 5.856 0 C-N-CA 129.738 3.215 . . . . 0.0 117.144 -178.121 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -40.85 116.61 0.43 Allowed 'Trans proline' 3 C--N 1.563 11.828 1 C-N-CA 125.746 4.297 . . . . 0.0 120.466 -171.3 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -73.63 -31.56 8.55 Favored 'Trans proline' 3 C--N 1.551 11.217 0 C-N-CA 123.858 3.039 . . . . 0.0 117.431 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.45 4.952 0 C-N-CA 126.588 1.955 . . . . 0.0 112.874 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.395 10.4 p . . . . . 0 CA--C 1.624 3.805 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.297 7.2 m -105.85 18.37 5.41 Favored 'Isoleucine or valine' 2 N--CA 1.559 4.976 0 C-N-CA 127.54 2.336 . . . . 0.0 112.084 173.886 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -72.81 158.09 36.23 Favored 'General case' 1 C--N 1.448 4.869 0 C-N-CA 130.237 3.415 . . . . 0.0 116.177 -172.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -52.66 -173.82 0.0 OUTLIER 'General case' 2 CA--C 1.67 5.593 1 C-N-CA 135.536 5.534 . . . . 0.0 116.423 171.555 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.271 16.7 ptm180 -71.05 -36.06 72.17 Favored 'General case' 3 N--CA 1.556 4.872 0 C-N-CA 127.658 2.383 . . . . 0.0 114.705 173.558 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 1.594 ' CA ' ' CB ' ' B' ' 6' ' ' ILE 0.665 10.4 tp 53.64 66.26 0.17 Allowed 'Isoleucine or valine' 3 N--CA 1.578 5.944 0 C-N-CA 129.793 3.237 . . . . 0.0 116.722 177.13 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 73.5 m -124.18 25.63 7.74 Favored 'General case' 2 N--CA 1.554 4.75 0 C-N-CA 128.224 2.61 . . . . 0.0 111.841 177.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.425 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 66.3 m -76.92 -174.14 2.98 Favored 'General case' 3 N--CA 1.55 4.562 0 C-N-CA 128.584 2.754 . . . . 0.0 115.037 -174.055 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 1.56 ' CA ' ' CB ' ' B' ' 9' ' ' VAL 0.251 3.1 t . . . . . 2 C--N 1.446 4.8 0 C-N-CA 126.006 1.722 . . . . 0.0 107.931 -176.708 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.466 0 CA-C-O 119.523 -0.598 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.65 130.28 55.61 Favored 'General case' 0 N--CA 1.537 3.901 0 C-N-CA 126.476 1.91 . . . . 0.0 112.965 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.2 mmt -114.09 141.06 47.94 Favored 'General case' 2 N--CA 1.54 4.056 0 C-N-CA 126.087 1.755 . . . . 0.0 114.631 177.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.386 11.6 pt-20 -112.84 158.33 20.28 Favored 'General case' 0 N--CA 1.533 3.701 0 C-N-CA 127.112 2.165 . . . . 0.0 115.574 -178.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.5 ptp -107.59 162.8 13.63 Favored 'General case' 1 CA--C 1.632 4.109 0 C-N-CA 128.783 2.833 . . . . 0.0 113.604 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.338 10.6 pt-20 -128.7 120.65 26.88 Favored 'General case' 1 N--CA 1.55 4.534 0 C-N-CA 127.395 2.278 . . . . 0.0 112.656 -179.348 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -102.05 143.16 32.25 Favored 'General case' 1 N--CA 1.551 4.593 0 C-N-CA 125.864 1.666 . . . . 0.0 113.098 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.02 132.57 50.72 Favored 'General case' 1 C--N 1.435 4.308 0 C-N-CA 124.56 1.144 . . . . 0.0 111.003 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -105.54 114.18 28.2 Favored 'General case' 0 C--N 1.42 3.639 0 C-N-CA 126.566 1.946 . . . . 0.0 112.815 176.164 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -112.83 138.92 40.42 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.633 0 C-N-CA 124.805 1.242 . . . . 0.0 108.937 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 89' ' ' ARG . 1.5 m -118.71 120.09 36.37 Favored 'General case' 0 N--CA 1.53 3.549 0 C-N-CA 125.506 1.522 . . . . 0.0 108.957 175.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.1 mt -116.28 145.93 42.78 Favored 'General case' 0 N--CA 1.524 3.241 0 C-N-CA 127.366 2.266 . . . . 0.0 112.421 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.285 11.3 pt-20 -103.63 123.8 47.66 Favored 'General case' 0 C--N 1.42 3.673 0 C-N-CA 125.698 1.599 . . . . 0.0 109.845 167.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -52.45 111.24 0.61 Allowed 'General case' 1 N--CA 1.559 4.981 0 C-N-CA 129.971 3.308 . . . . 0.0 114.057 -169.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 157.81 52.98 Favored Glycine 2 N--CA 1.55 6.285 0 N-CA-C 117.89 1.916 . . . . 0.0 117.89 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.307 7.6 p30 -69.15 -31.28 69.83 Favored 'General case' 1 N--CA 1.573 5.713 0 C-N-CA 127.347 2.259 . . . . 0.0 115.859 179.763 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.4 p -95.4 -20.55 19.01 Favored 'General case' 1 CA--C 1.631 4.082 0 C-N-CA 127.258 2.223 . . . . 0.0 113.688 172.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.62 60.45 0.43 Allowed Glycine 1 C--N 1.452 6.978 0 C-N-CA 125.753 1.644 . . . . 0.0 111.695 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.55 3.1 mm? 65.29 -89.73 0.03 OUTLIER 'General case' 1 C--N 1.447 4.821 0 C-N-CA 129.71 3.204 . . . . 0.0 115.856 -173.491 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.56 38.74 0.02 OUTLIER Glycine 0 C--N 1.397 3.96 0 C-N-CA 125.662 1.601 . . . . 0.0 113.945 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -156.73 166.37 33.57 Favored 'General case' 1 C--N 1.44 4.525 0 C-N-CA 129.207 3.003 . . . . 0.0 109.022 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.482 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 73.7 m -132.68 145.04 50.73 Favored 'General case' 1 C--N 1.441 4.568 0 C-N-CA 125.175 1.39 . . . . 0.0 110.705 169.47 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.528 2.2 pp -121.95 127.14 75.3 Favored 'Isoleucine or valine' 2 N--CA 1.579 6.015 0 N-CA-C 119.359 3.096 . . . . 0.0 119.359 -175.475 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.9 117.99 35.41 Favored 'General case' 1 C--N 1.429 4.026 0 CA-C-N 113.782 -1.553 . . . . 0.0 111.525 -177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.8 157.77 26.28 Favored Glycine 0 N--CA 1.512 3.754 0 C-N-CA 125.564 1.554 . . . . 0.0 113.713 -175.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.09 153.8 10.53 Favored Glycine 2 N--CA 1.518 4.122 0 N-CA-C 117.689 1.836 . . . . 0.0 117.689 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 11.5 p -106.06 -44.78 4.5 Favored 'General case' 1 N--CA 1.56 5.041 0 C-N-CA 126.194 1.798 . . . . 0.0 113.014 166.506 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -102.24 -32.36 10.1 Favored 'General case' 1 C--N 1.431 4.134 0 C-N-CA 126.486 1.915 . . . . 0.0 113.133 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -100.66 105.07 35.22 Favored Pre-proline 2 CA--C 1.653 4.927 0 C-N-CA 126.902 2.081 . . . . 0.0 111.413 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -76.2 157.63 37.71 Favored 'Trans proline' 3 C--N 1.541 10.67 0 C-N-CA 123.657 2.905 . . . . 0.0 118.836 -177.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -104.67 -57.5 2.02 Favored 'General case' 0 CA--C 1.625 3.837 0 C-N-CA 128.637 2.775 . . . . 0.0 111.09 173.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.265 1.6 tp -98.59 -31.37 3.64 Favored 'Isoleucine or valine' 1 CA--C 1.656 5.022 0 C-N-CA 127.878 2.471 . . . . 0.0 113.375 -172.088 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.36 -61.33 0.18 Allowed Glycine 0 C--N 1.389 3.482 0 C-N-CA 126.941 2.21 . . . . 0.0 113.765 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -167.45 80.69 0.2 Allowed 'General case' 1 N--CA 1.556 4.825 0 C-N-CA 130.128 3.371 . . . . 0.0 107.641 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -98.3 138.95 20.9 Favored Pre-proline 1 CA--C 1.655 4.989 0 C-N-CA 127.2 2.2 . . . . 0.0 116.608 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -80.45 -33.48 0.97 Allowed 'Trans proline' 3 C--N 1.55 11.162 0 C-N-CA 123.539 2.826 . . . . 0.0 117.713 171.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.9 p -97.9 154.16 17.85 Favored 'General case' 2 N--CA 1.553 4.721 0 C-N-CA 127.047 2.139 . . . . 0.0 115.171 -174.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 1.552 ' CB ' ' CA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -97.06 133.36 38.91 Favored 'Isoleucine or valine' 3 C--N 1.448 4.869 0 C-N-CA 126.474 1.91 . . . . 0.0 109.555 -179.052 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -129.22 156.51 43.84 Favored 'General case' 1 N--CA 1.552 4.664 0 C-N-CA 127.448 2.299 . . . . 0.0 112.195 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -89.03 144.35 9.28 Favored 'Isoleucine or valine' 2 C--N 1.458 5.3 0 C-N-CA 126.1 1.76 . . . . 0.0 109.067 168.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.327 11.5 p -147.36 -25.54 0.38 Allowed 'General case' 1 N--CA 1.556 4.875 0 C-N-CA 127.375 2.27 . . . . 0.0 113.551 -179.168 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.2 tmtm? -126.79 126.88 44.14 Favored 'General case' 1 C--N 1.477 6.117 0 C-N-CA 123.116 0.567 . . . . 0.0 111.277 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.598 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.275 43.5 mm -123.29 130.3 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.617 3.531 0 C-N-CA 126.926 2.09 . . . . 0.0 108.636 173.566 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.295 3.1 mp -83.5 132.45 49.51 Favored Pre-proline 2 CA--C 1.679 5.925 0 C-N-CA 126.56 1.944 . . . . 0.0 110.886 173.595 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.95 -22.36 62.85 Favored 'Trans proline' 3 C--N 1.538 10.519 0 C-N-CA 124.203 3.269 . . . . 0.0 117.678 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.93 39.35 1.83 Allowed Glycine 1 C--N 1.428 5.69 0 CA-C-O 118.071 -1.405 . . . . 0.0 115.806 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.22 -177.64 38.93 Favored Glycine 2 C--N 1.441 6.395 0 C-N-CA 125.467 1.508 . . . . 0.0 116.519 174.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.81 -38.18 28.85 Favored 'General case' 0 N--CA 1.535 3.791 0 C-N-CA 129.118 2.967 . . . . 0.0 115.21 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.52 -23.26 37.4 Favored 'General case' 2 C--N 1.448 4.876 0 C-N-CA 126.829 2.052 . . . . 0.0 116.037 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.97 -41.02 15.24 Favored 'General case' 1 C--N 1.443 4.663 0 C-N-CA 127.047 2.139 . . . . 0.0 113.598 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -90.57 -56.23 3.27 Favored 'General case' 1 C--N 1.448 4.867 0 C-N-CA 127.062 2.145 . . . . 0.0 114.531 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.1 -31.14 16.36 Favored 'General case' 1 C--N 1.459 5.369 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.06 -49.88 3.64 Favored Glycine 2 C--N 1.44 6.349 0 N-CA-C 117.874 1.909 . . . . 0.0 117.874 -173.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.543 8.5 mpt_? 88.95 52.27 0.01 OUTLIER 'General case' 2 N--CA 1.576 5.833 0 C-N-CA 130.553 3.541 . . . . 0.0 116.329 -178.021 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -111.59 129.38 56.09 Favored 'General case' 0 C--N 1.422 3.72 0 C-N-CA 127.311 2.245 . . . . 0.0 112.528 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -112.03 157.84 20.26 Favored 'General case' 0 N--CA 1.532 3.636 0 C-N-CA 128.123 2.569 . . . . 0.0 110.627 170.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.561 HG11 HG12 ' A' ' 43' ' ' ILE 0.278 3.1 m -51.39 -30.4 10.54 Favored 'Isoleucine or valine' 1 N--CA 1.634 8.731 0 C-N-CA 127.718 2.407 . . . . 0.0 116.187 175.645 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.283 9.7 p30 -90.36 8.15 34.97 Favored 'General case' 1 CA--C 1.653 4.909 0 C-N-CA 128.672 2.789 . . . . 0.0 113.724 -178.068 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.08 -34.96 16.57 Favored 'General case' 2 C--N 1.488 6.62 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.269 67.2 m 43.93 120.22 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.681 0 C-N-CA 129.361 3.065 . . . . 0.0 117.07 177.082 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.539 HG22 HG22 ' A' ' 64' ' ' VAL 0.25 15.0 mt -82.47 131.68 33.19 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.15 0 C-N-CA 125.171 1.389 . . . . 0.0 111.038 -175.959 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -97.3 -44.77 6.76 Favored 'General case' 1 C--N 1.429 4.057 0 O-C-N 125.217 1.573 . . . . 0.0 112.505 167.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -133.42 130.3 38.5 Favored 'General case' 1 C--N 1.445 4.722 0 O-C-N 125.161 1.538 . . . . 0.0 111.778 -175.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.539 HG22 HG22 ' A' ' 61' ' ' ILE 0.268 1.0 OUTLIER -119.67 139.89 45.49 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.914 0 CA-C-O 117.41 -1.281 . . . . 0.0 108.939 178.164 . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 70.91 -5.37 1.51 Allowed 'General case' 2 N--CA 1.628 8.429 0 C-N-CA 126.794 2.038 . . . . 0.0 114.785 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.393 1.3 mp0 79.93 20.92 0.57 Allowed 'General case' 3 N--CA 1.586 6.374 0 C-N-CA 130.101 3.36 . . . . 0.0 111.589 -156.754 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.261 0.3 OUTLIER -106.24 148.43 10.65 Favored 'Isoleucine or valine' 1 C--N 1.449 4.923 0 C-N-CA 128.311 2.644 . . . . 0.0 109.962 -176.699 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.359 4.2 p-10 -82.87 97.49 8.68 Favored 'General case' 0 C--N 1.401 2.833 0 C-N-CA 127.335 2.254 . . . . 0.0 114.359 -174.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.425 24.0 m -90.71 -9.81 10.27 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.028 0 CA-C-N 112.733 -2.031 . . . . 0.0 114.512 173.737 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -46.14 -25.95 0.68 Allowed 'General case' 2 N--CA 1.597 6.887 0 C-N-CA 128.436 2.694 . . . . 0.0 116.93 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -153.79 76.54 1.07 Allowed 'General case' 2 C--N 1.448 4.876 0 C-N-CA 128.595 2.758 . . . . 0.0 108.009 177.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 1.579 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.281 18.0 m -138.7 166.15 23.23 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.68 0 C-N-CA 126.525 1.93 . . . . 0.0 109.497 175.001 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.6 p -79.71 162.74 25.01 Favored 'General case' 1 N--CA 1.556 4.838 0 C-N-CA 127.752 2.421 . . . . 0.0 110.969 168.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -47.98 -54.56 12.49 Favored 'General case' 3 N--CA 1.579 5.999 0 C-N-CA 128.616 2.766 . . . . 0.0 111.536 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -62.1 -30.1 70.78 Favored 'General case' 1 C--N 1.453 5.108 0 C-N-CA 127.123 2.169 . . . . 0.0 114.157 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.64 -19.83 51.7 Favored 'General case' 1 C--N 1.481 6.31 0 C-N-CA 126.511 1.924 . . . . 0.0 112.983 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.7 -37.01 15.86 Favored 'General case' 1 C--N 1.468 5.742 0 C-N-CA 126.403 1.881 . . . . 0.0 112.652 172.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -72.28 -41.51 65.93 Favored 'Isoleucine or valine' 3 N--CA 1.593 6.711 0 C-N-CA 126.968 2.107 . . . . 0.0 112.043 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.8 mt-10 -64.7 -18.13 64.72 Favored 'General case' 1 N--CA 1.601 7.125 0 C-N-CA 127.771 2.428 . . . . 0.0 114.819 177.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.25 -28.47 47.8 Favored 'General case' 1 CA--C 1.631 4.064 0 C-N-CA 126.663 1.985 . . . . 0.0 112.438 167.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.49 -33.83 14.34 Favored 'General case' 2 C--N 1.461 5.416 0 C-N-CA 126.666 1.986 . . . . 0.0 116.211 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -85.6 -40.04 16.68 Favored 'General case' 0 N--CA 1.538 3.954 0 C-N-CA 127.155 2.182 . . . . 0.0 114.068 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.48 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.278 40.0 mt-10 -91.43 -12.95 33.23 Favored 'General case' 2 N--CA 1.581 6.08 0 N-CA-C 120.085 3.365 . . . . 0.0 120.085 -175.694 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.04 -24.76 41.49 Favored 'General case' 3 N--CA 1.605 7.279 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.82 -35.11 4.55 Favored Glycine 1 C--N 1.423 5.376 0 N-CA-C 118.215 2.046 . . . . 0.0 118.215 166.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.0 p -175.58 -33.44 0.01 OUTLIER 'General case' 2 N--CA 1.555 4.787 0 C-N-CA 129.07 2.948 . . . . 0.0 112.943 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.292 42.5 mm -121.87 115.9 47.74 Favored 'Isoleucine or valine' 1 C--N 1.43 4.074 0 C-N-CA 126.256 1.822 . . . . 0.0 109.064 -174.087 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.69 117.03 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.26 0 C-N-CA 127.611 2.364 . . . . 0.0 111.22 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.516 ' HB3' HG22 ' A' ' 11' ' ' THR 0.41 35.5 ptt180 -113.93 100.24 8.27 Favored 'General case' 1 N--CA 1.559 4.986 0 C-N-CA 126.136 1.774 . . . . 0.0 115.587 -173.83 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.67 143.21 26.52 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.779 2.432 . . . . 0.0 114.175 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -122.75 113.59 19.4 Favored 'General case' 1 C--O 1.315 4.503 0 C-N-CA 127.356 2.262 . . . . 0.0 110.869 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 33.7 m -107.09 159.15 6.82 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.189 0 O-C-N 126.89 2.619 . . . . 0.0 115.308 -175.603 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.305 25.7 ptt? -126.33 117.38 22.87 Favored 'General case' 1 N--CA 1.565 5.309 0 C-N-CA 127.566 2.347 . . . . 0.0 114.409 -175.072 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.318 16.0 ptm180 -132.4 130.76 41.04 Favored 'General case' 1 N--CA 1.549 4.522 0 C-N-CA 126.805 2.042 . . . . 0.0 112.893 179.793 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -83.13 140.38 32.65 Favored 'General case' 1 N--CA 1.559 5.003 0 C-N-CA 126.57 1.948 . . . . 0.0 114.944 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -72.41 124.43 90.79 Favored Pre-proline 2 N--CA 1.562 5.126 0 C-N-CA 127.846 2.458 . . . . 0.0 114.974 -175.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -73.77 147.08 39.18 Favored 'Trans proline' 3 C--N 1.552 11.269 0 C-N-CA 123.778 2.986 . . . . 0.0 116.749 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.96 -31.47 24.08 Favored 'Trans proline' 3 C--N 1.551 11.194 0 C-N-CA 123.883 3.056 . . . . 0.0 117.597 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.447 4.807 0 C-N-CA 126.645 1.978 . . . . 0.0 112.865 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.5 1.7 m . . . . . 0 N--CA 1.534 3.727 0 N-CA-C 115.373 1.619 . . . . 0.0 115.373 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.31 5.4 m -110.74 -13.09 11.23 Favored 'Isoleucine or valine' 2 N--CA 1.559 4.997 0 C-N-CA 127.906 2.483 . . . . 0.0 116.047 -174.758 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 71.6 m -119.2 -4.78 10.48 Favored 'General case' 2 C--N 1.442 4.588 0 C-N-CA 126.35 1.86 . . . . 0.0 114.878 -171.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -93.51 147.82 22.64 Favored 'General case' 2 C--N 1.434 4.266 0 C-N-CA 127.378 2.271 . . . . 0.0 113.977 -172.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.261 13.8 ptp180 -118.77 -43.54 2.67 Favored 'General case' 0 CA--C 1.626 3.874 0 C-N-CA 128.47 2.708 . . . . 0.0 111.757 169.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.666 3.8 tt 54.44 83.62 0.05 OUTLIER 'Isoleucine or valine' 3 C--N 1.453 5.072 0 C-N-CA 131.181 3.792 . . . . 0.0 116.712 -177.933 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 73.6 m -117.7 22.1 12.55 Favored 'General case' 2 N--CA 1.571 5.578 0 C-N-CA 127.114 2.166 . . . . 0.0 113.397 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.6 m -96.24 179.71 4.95 Favored 'General case' 1 N--CA 1.546 4.34 0 C-N-CA 127.279 2.231 . . . . 0.0 115.987 -170.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 2 C--N 1.455 5.159 0 C-N-CA 127.654 2.381 . . . . 0.0 107.272 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.591 0 CA-C-O 119.538 -0.59 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.72 5.02 41.16 Favored 'General case' 2 N--CA 1.554 4.753 0 C-N-CA 126.42 1.888 . . . . 0.0 115.539 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.446 26.1 ptt? -99.2 -7.89 25.85 Favored 'General case' 2 N--CA 1.572 5.668 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -178.788 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.313 9.7 pt-20 -120.38 154.37 35.2 Favored 'General case' 0 N--CA 1.537 3.91 0 C-N-CA 129.027 2.931 . . . . 0.0 114.659 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.309 26.2 ptt? -74.31 158.68 33.57 Favored 'General case' 2 N--CA 1.557 4.922 0 C-N-CA 127.486 2.314 . . . . 0.0 114.109 176.821 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.379 11.2 pt-20 -119.17 123.1 43.53 Favored 'General case' 1 N--CA 1.554 4.735 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -169.354 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.11 142.99 35.92 Favored 'General case' 1 N--CA 1.545 4.287 0 C-N-CA 126.324 1.849 . . . . 0.0 112.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.95 135.15 50.49 Favored 'General case' 1 N--CA 1.539 4.002 0 C-N-CA 125.805 1.642 . . . . 0.0 113.891 -178.197 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.303 11.9 pt-20 -107.62 111.22 23.34 Favored 'General case' 0 C--N 1.426 3.898 0 C-N-CA 126.103 1.761 . . . . 0.0 112.571 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -112.48 141.84 26.77 Favored 'Isoleucine or valine' 2 N--CA 1.554 4.758 0 C-N-CA 125.021 1.329 . . . . 0.0 108.896 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.503 HG22 ' HB3' ' A' ' 89' ' ' ARG . 1.7 m -120.49 123.91 44.11 Favored 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 125.82 1.648 . . . . 0.0 109.021 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.5 141.55 49.09 Favored 'General case' 0 C--N 1.408 3.113 0 C-N-CA 127.602 2.361 . . . . 0.0 112.525 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -100.91 127.25 47.47 Favored 'General case' 1 N--CA 1.543 4.203 0 C-N-CA 126.596 1.958 . . . . 0.0 107.397 172.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -50.24 106.87 0.13 Allowed 'General case' 2 N--CA 1.566 5.346 0 C-N-CA 129.058 2.943 . . . . 0.0 113.683 -175.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.36 168.81 54.85 Favored Glycine 2 N--CA 1.538 5.476 0 N-CA-C 117.755 1.862 . . . . 0.0 117.755 -176.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.282 7.8 p30 -76.7 -26.81 55.13 Favored 'General case' 1 N--CA 1.561 5.113 0 C-N-CA 127.467 2.307 . . . . 0.0 115.958 -179.484 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -97.93 -21.18 17.01 Favored 'General case' 1 C--N 1.43 4.078 0 C-N-CA 126.8 2.04 . . . . 0.0 114.949 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 39.52 1.25 Allowed Glycine 1 C--N 1.459 7.383 0 C-N-CA 124.585 1.088 . . . . 0.0 112.562 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.541 8.1 mt 74.49 -29.79 0.2 Allowed 'General case' 2 N--CA 1.555 4.803 0 C-N-CA 130.911 3.684 . . . . 0.0 118.987 176.847 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.79 30.1 6.61 Favored Glycine 2 C--N 1.413 4.848 0 N-CA-C 117.156 1.622 . . . . 0.0 117.156 174.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -156.18 164.11 38.77 Favored 'General case' 1 C--N 1.441 4.557 0 C-N-CA 127.781 2.433 . . . . 0.0 109.896 176.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.592 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 61.2 m -133.8 144.03 48.74 Favored 'General case' 1 C--N 1.441 4.586 0 C-N-CA 125.447 1.499 . . . . 0.0 111.201 171.742 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.51 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.616 2.2 pp -118.36 131.83 69.98 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.419 0 N-CA-C 120.205 3.409 . . . . 0.0 120.205 -173.609 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.98 118.86 37.67 Favored 'General case' 1 C--N 1.455 5.171 0 C-N-CA 126.207 1.803 . . . . 0.0 110.989 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.56 157.1 28.05 Favored Glycine 0 C--N 1.391 3.595 0 O-C-N 124.807 1.317 . . . . 0.0 114.743 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.66 145.54 5.52 Favored Glycine 1 C--N 1.402 4.202 0 N-CA-C 118.068 1.987 . . . . 0.0 118.068 -174.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.252 11.6 p -102.78 -33.82 9.24 Favored 'General case' 1 N--CA 1.559 5.016 0 C-N-CA 126.073 1.749 . . . . 0.0 112.625 164.716 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -106.41 -34.06 7.54 Favored 'General case' 1 C--N 1.437 4.379 0 C-N-CA 125.801 1.64 . . . . 0.0 113.301 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -100.76 119.1 59.37 Favored Pre-proline 2 CA--C 1.681 6.009 0 C-N-CA 127.217 2.207 . . . . 0.0 110.928 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -67.06 159.79 50.36 Favored 'Trans proline' 3 C--N 1.546 10.927 0 C-N-CA 123.985 3.123 . . . . 0.0 117.532 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -113.9 -50.71 2.82 Favored 'General case' 1 CA--C 1.631 4.069 0 C-N-CA 128.228 2.611 . . . . 0.0 112.431 173.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.569 ' HA ' HG13 ' B' ' 1' ' ' VAL 0.368 2.7 pp -130.22 -52.27 1.04 Allowed 'Isoleucine or valine' 1 N--CA 1.573 5.688 0 C-N-CA 125.736 1.614 . . . . 0.0 114.956 -165.055 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.99 32.13 0.51 Allowed Glycine 0 N--CA 1.502 3.085 0 C-N-CA 128.299 2.857 . . . . 0.0 112.591 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.402 13.3 t70 78.19 71.67 0.05 OUTLIER 'General case' 2 N--CA 1.568 5.462 0 C-N-CA 130.648 3.579 . . . . 0.0 110.241 -176.42 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -90.93 124.54 61.67 Favored Pre-proline 1 CA--C 1.673 5.677 0 CA-C-N 112.327 -2.215 . . . . 0.0 113.778 -176.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -72.37 -26.45 17.22 Favored 'Trans proline' 3 C--N 1.554 11.346 0 C-N-CA 124.231 3.288 . . . . 0.0 117.64 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.3 p -91.47 148.0 22.62 Favored 'General case' 2 C--N 1.441 4.584 0 C-N-CA 127.064 2.145 . . . . 0.0 113.974 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.426 HG12 HG11 ' A' ' 69' ' ' VAL 0.267 0.8 OUTLIER -95.37 128.33 46.64 Favored 'Isoleucine or valine' 3 N--CA 1.549 4.518 0 C-N-CA 125.654 1.582 . . . . 0.0 109.985 -176.285 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -130.66 157.19 43.43 Favored 'General case' 2 N--CA 1.548 4.437 0 C-N-CA 127.539 2.336 . . . . 0.0 111.416 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.24 141.11 14.76 Favored 'Isoleucine or valine' 1 C--N 1.461 5.449 0 C-N-CA 126.02 1.728 . . . . 0.0 109.199 171.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.343 1.3 p -148.58 -21.31 0.32 Allowed 'General case' 1 N--CA 1.55 4.567 0 C-N-CA 127.803 2.441 . . . . 0.0 113.765 -175.709 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 9.0 tmtm? -128.9 127.41 41.72 Favored 'General case' 1 C--N 1.481 6.324 0 C-N-CA 123.367 0.667 . . . . 0.0 110.76 176.216 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.615 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.277 45.8 mm -123.56 132.46 71.33 Favored 'Isoleucine or valine' 0 C--N 1.415 3.438 0 C-N-CA 126.916 2.087 . . . . 0.0 109.145 174.002 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.282 3.2 mp -85.77 129.29 55.2 Favored Pre-proline 1 CA--C 1.679 5.941 0 C-N-CA 126.479 1.912 . . . . 0.0 109.943 172.021 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.96 -19.72 63.98 Favored 'Trans proline' 3 C--N 1.535 10.384 0 C-N-CA 124.192 3.261 . . . . 0.0 117.88 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.49 37.85 2.05 Favored Glycine 1 C--N 1.428 5.683 0 CA-C-O 117.822 -1.543 . . . . 0.0 116.45 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.16 -178.01 40.35 Favored Glycine 3 C--N 1.444 6.575 0 C-N-CA 124.947 1.26 . . . . 0.0 116.045 173.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.98 -37.5 29.19 Favored 'General case' 0 N--CA 1.539 3.997 0 C-N-CA 128.536 2.735 . . . . 0.0 115.688 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.65 35.39 Favored 'General case' 2 C--N 1.445 4.722 0 C-N-CA 127.644 2.378 . . . . 0.0 115.395 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.3 -42.4 20.66 Favored 'General case' 1 C--N 1.452 5.026 0 C-N-CA 127.38 2.272 . . . . 0.0 113.339 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -91.05 -57.89 2.65 Favored 'General case' 1 C--N 1.45 4.944 0 C-N-CA 127.391 2.277 . . . . 0.0 115.021 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.82 -34.14 15.41 Favored 'General case' 1 C--N 1.46 5.394 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 -172.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.07 -43.64 7.03 Favored Glycine 2 C--N 1.44 6.345 0 N-CA-C 117.534 1.774 . . . . 0.0 117.534 -174.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.548 24.7 mmm180 88.31 52.33 0.01 OUTLIER 'General case' 2 N--CA 1.57 5.525 0 C-N-CA 130.777 3.631 . . . . 0.0 116.433 179.646 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tp -111.19 130.26 55.69 Favored 'General case' 0 C--N 1.418 3.548 0 C-N-CA 127.699 2.399 . . . . 0.0 111.568 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.45 156.43 21.66 Favored 'General case' 0 N--CA 1.524 3.273 0 C-N-CA 127.934 2.494 . . . . 0.0 110.305 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 HG12 ' A' ' 43' ' ' ILE . 6.4 p -56.18 -26.89 22.68 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.164 0 C-N-CA 129.042 2.937 . . . . 0.0 115.616 178.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -91.67 9.08 33.87 Favored 'General case' 1 CA--C 1.673 5.711 0 C-N-CA 129.104 2.962 . . . . 0.0 112.149 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.23 -36.19 18.1 Favored 'General case' 2 C--N 1.488 6.617 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.265 68.8 m 44.84 119.15 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.405 0 C-N-CA 129.734 3.214 . . . . 0.0 117.113 176.973 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.448 HG23 HG13 ' A' ' 64' ' ' VAL . 10.2 mt -83.68 128.32 38.92 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.183 0 C-N-CA 125.185 1.394 . . . . 0.0 110.542 -175.459 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.265 1.5 pt? -94.66 -46.03 7.11 Favored 'General case' 0 C--N 1.424 3.832 0 O-C-N 125.163 1.539 . . . . 0.0 111.996 169.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -131.04 132.9 45.24 Favored 'General case' 2 C--N 1.449 4.924 0 O-C-N 125.049 1.468 . . . . 0.0 113.463 -176.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.448 HG13 HG23 ' A' ' 61' ' ' ILE 0.466 0.0 OUTLIER -118.7 137.13 53.66 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.768 0 C-N-CA 124.474 1.11 . . . . 0.0 112.825 176.29 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.277 4.4 m-20 74.49 -68.55 0.21 Allowed 'General case' 2 N--CA 1.58 6.073 0 C-N-CA 128.501 2.72 . . . . 0.0 112.428 -177.438 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.265 10.4 pt-20 -170.29 6.02 0.02 OUTLIER 'General case' 2 CA--C 1.643 4.551 1 C-N-CA 134.168 4.987 . . . . 0.0 108.941 174.087 . . . . . . . . 4 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.371 33.6 m -99.9 154.48 4.31 Favored 'Isoleucine or valine' 1 C--N 1.452 5.038 0 C-N-CA 127.845 2.458 . . . . 0.0 115.745 -169.015 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.388 4.2 p-10 -90.54 93.44 9.29 Favored 'General case' 0 C--N 1.419 3.59 0 C-N-CA 128.386 2.674 . . . . 0.0 112.542 -177.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.426 HG11 HG12 ' A' ' 38' ' ' ILE 0.311 0.5 OUTLIER -93.59 -8.87 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.319 0 CA-C-N 111.507 -2.588 . . . . 0.0 113.332 -179.61 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -56.89 -17.95 11.38 Favored 'General case' 2 N--CA 1.57 5.569 0 C-N-CA 128.041 2.536 . . . . 0.0 114.575 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -152.77 80.03 1.21 Allowed 'General case' 1 C--N 1.46 5.376 0 C-N-CA 128.817 2.847 . . . . 0.0 109.452 177.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.5 m -146.81 165.5 7.31 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.652 0 C-N-CA 127.499 2.32 . . . . 0.0 110.479 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -76.98 163.72 26.44 Favored 'General case' 1 N--CA 1.57 5.569 0 C-N-CA 126.338 1.855 . . . . 0.0 111.444 165.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.268 12.1 p80 -50.99 -53.78 30.22 Favored 'General case' 2 N--CA 1.598 6.934 0 C-N-CA 126.224 1.81 . . . . 0.0 114.318 177.055 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 t -62.38 -31.95 72.69 Favored 'General case' 3 N--CA 1.554 4.753 0 C-N-CA 126.88 2.072 . . . . 0.0 112.923 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.36 -22.75 61.1 Favored 'General case' 1 C--N 1.452 5.034 0 C-N-CA 128.395 2.678 . . . . 0.0 113.955 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.01 -32.26 15.99 Favored 'General case' 1 C--N 1.465 5.591 0 C-N-CA 126.335 1.854 . . . . 0.0 112.799 173.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.83 -41.06 69.85 Favored 'Isoleucine or valine' 3 N--CA 1.586 6.347 0 C-N-CA 127.409 2.284 . . . . 0.0 111.371 175.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 41.9 mt-10 -65.3 -16.47 63.61 Favored 'General case' 1 N--CA 1.595 6.812 0 C-N-CA 128.313 2.645 . . . . 0.0 115.044 176.62 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.02 -29.34 49.44 Favored 'General case' 0 CA--C 1.624 3.808 0 C-N-CA 126.852 2.061 . . . . 0.0 112.273 166.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.508 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.266 1.4 mt -92.95 -35.27 13.4 Favored 'General case' 2 C--N 1.464 5.564 0 N-CA-C 116.593 2.072 . . . . 0.0 116.593 178.754 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -85.52 -35.63 21.02 Favored 'General case' 1 N--CA 1.543 4.184 0 C-N-CA 127.373 2.269 . . . . 0.0 114.493 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.28 39.3 mt-10 -88.96 -14.12 37.35 Favored 'General case' 2 N--CA 1.585 6.291 0 N-CA-C 119.683 3.216 . . . . 0.0 119.683 -176.501 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.58 67.84 Favored 'General case' 3 N--CA 1.592 6.646 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.21 -34.67 5.6 Favored Glycine 1 C--N 1.422 5.336 0 N-CA-C 119.566 2.586 . . . . 0.0 119.566 165.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 m -168.28 -33.78 0.02 OUTLIER 'General case' 1 N--CA 1.554 4.736 0 C-N-CA 128.648 2.779 . . . . 0.0 112.482 -171.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.272 23.9 mm -124.92 110.7 25.53 Favored 'Isoleucine or valine' 1 C--N 1.441 4.561 0 C-N-CA 125.828 1.651 . . . . 0.0 109.143 -173.093 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.508 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.275 0.0 OUTLIER -119.56 118.15 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.402 0 O-C-N 126.133 2.146 . . . . 0.0 113.09 179.594 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.503 ' HB3' HG22 ' A' ' 11' ' ' THR 0.428 36.3 ptt180 -111.82 105.12 13.51 Favored 'General case' 1 N--CA 1.553 4.698 0 C-N-CA 125.943 1.697 . . . . 0.0 115.227 -177.862 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 138.45 32.1 Favored 'General case' 0 N--CA 1.527 3.384 0 C-N-CA 128.215 2.606 . . . . 0.0 113.95 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -117.52 112.66 20.9 Favored 'General case' 1 C--O 1.309 4.186 0 C-N-CA 126.685 1.994 . . . . 0.0 110.867 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 33.6 m -106.74 159.91 6.34 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.139 0 O-C-N 126.864 2.602 . . . . 0.0 115.491 -175.014 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.318 3.8 ppp? -125.38 116.93 22.66 Favored 'General case' 1 N--CA 1.564 5.249 0 C-N-CA 127.996 2.518 . . . . 0.0 114.121 -176.64 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -116.96 141.15 48.61 Favored 'General case' 0 N--CA 1.532 3.627 0 C-N-CA 127.928 2.491 . . . . 0.0 110.581 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -87.09 142.01 28.23 Favored 'General case' 0 CA--C 1.629 3.996 0 C-N-CA 126.793 2.037 . . . . 0.0 111.488 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.306 20.5 pttp -56.28 119.16 25.68 Favored Pre-proline 2 CA--C 1.676 5.819 0 C-N-CA 128.748 2.819 . . . . 0.0 117.775 -176.919 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -77.61 151.41 28.69 Favored 'Trans proline' 3 C--N 1.549 11.091 0 C-N-CA 123.798 2.999 . . . . 0.0 116.533 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.88 138.61 37.84 Favored 'Trans proline' 3 C--N 1.553 11.297 0 C-N-CA 123.771 2.98 . . . . 0.0 116.524 176.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.432 4.175 0 C-N-CA 126.471 1.908 . . . . 0.0 112.917 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . 0.569 HG13 ' HA ' ' A' ' 32' ' ' ILE 0.487 6.1 m . . . . . 0 N--CA 1.534 3.747 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.418 12.6 m -95.97 -45.31 13.09 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.633 0 C-N-CA 126.713 2.005 . . . . 0.0 115.939 -176.941 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -146.72 125.42 12.57 Favored 'General case' 1 C--N 1.447 4.806 0 C-N-CA 125.868 1.667 . . . . 0.0 112.329 -175.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.282 3.9 tt0 -137.46 106.83 6.09 Favored 'General case' 1 C--N 1.436 4.364 0 CA-C-O 122.362 1.077 . . . . 0.0 113.02 173.524 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -115.77 77.22 1.07 Allowed 'General case' 0 C--O 1.29 3.223 0 CA-C-N 111.824 -2.444 . . . . 0.0 106.084 163.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.353 0.4 OUTLIER -83.54 -21.77 8.63 Favored 'Isoleucine or valine' 0 C--N 1.427 3.941 0 CA-C-N 112.377 -2.192 . . . . 0.0 115.611 -170.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 67.4 m -61.31 79.85 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.81 0 C-N-CA 127.036 2.135 . . . . 0.0 114.294 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.51 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 67.5 m -134.74 -168.51 2.17 Favored 'General case' 0 CA--C 1.627 3.925 0 C-N-CA 129.641 3.176 . . . . 0.0 110.828 -171.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 1 C--N 1.446 4.773 0 C-N-CA 125.833 1.653 . . . . 0.0 107.201 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.45 0 CA-C-O 119.462 -0.632 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.76 125.46 51.95 Favored 'General case' 0 C--N 1.426 3.892 0 C-N-CA 126.433 1.893 . . . . 0.0 113.097 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.371 26.1 ptt? -111.5 5.67 19.68 Favored 'General case' 2 N--CA 1.569 5.481 0 C-N-CA 126.5 1.92 . . . . 0.0 115.565 178.458 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.304 10.1 pt-20 -120.48 159.53 24.97 Favored 'General case' 0 N--CA 1.536 3.856 0 C-N-CA 128.754 2.822 . . . . 0.0 114.454 -177.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.326 26.7 ptt? -72.93 162.59 29.31 Favored 'General case' 3 N--CA 1.552 4.663 0 C-N-CA 127.351 2.261 . . . . 0.0 114.541 178.216 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.372 9.7 pt-20 -120.05 124.13 45.12 Favored 'General case' 1 N--CA 1.546 4.346 0 C-N-CA 125.86 1.664 . . . . 0.0 114.229 -171.266 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -103.54 141.82 35.36 Favored 'General case' 1 N--CA 1.542 4.16 0 C-N-CA 126.63 1.972 . . . . 0.0 112.554 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -128.19 130.96 48.82 Favored 'General case' 2 N--CA 1.547 4.381 0 O-C-N 124.531 1.144 . . . . 0.0 111.798 -175.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.296 11.5 pt-20 -103.64 110.7 22.87 Favored 'General case' 0 C--N 1.426 3.902 0 C-N-CA 126.302 1.841 . . . . 0.0 112.789 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mt -111.44 145.99 16.96 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.207 0 C-N-CA 124.655 1.182 . . . . 0.0 110.589 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.23 126.54 51.77 Favored 'General case' 2 N--CA 1.551 4.616 0 C-N-CA 127.052 2.141 . . . . 0.0 113.955 173.249 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -126.55 164.76 20.48 Favored 'General case' 0 N--CA 1.539 4.0 0 C-N-CA 127.436 2.294 . . . . 0.0 113.269 174.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.72 139.54 32.63 Favored 'General case' 2 C--N 1.441 4.556 0 C-N-CA 126.682 1.993 . . . . 0.0 110.715 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.0 113.09 18.98 Favored 'General case' 2 N--CA 1.54 4.061 0 C-N-CA 128.22 2.608 . . . . 0.0 115.219 -171.2 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.25 -71.19 1.24 Allowed Glycine 2 N--CA 1.557 6.752 0 N-CA-C 118.898 2.319 . . . . 0.0 118.898 161.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.299 3.6 p-10 -61.39 -20.17 62.73 Favored 'General case' 2 N--CA 1.57 5.533 0 C-N-CA 128.467 2.707 . . . . 0.0 116.666 179.852 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.3 m -89.99 -22.69 21.79 Favored 'General case' 1 C--N 1.438 4.418 0 C-N-CA 126.379 1.871 . . . . 0.0 113.809 174.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.11 62.63 0.64 Allowed Glycine 1 C--N 1.478 8.454 0 N-CA-C 116.625 1.41 . . . . 0.0 116.625 169.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.97 115.27 4.73 Favored 'General case' 2 N--CA 1.555 4.81 0 C-N-CA 126.238 1.815 . . . . 0.0 114.055 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.51 63.17 0.28 Allowed Glycine 1 C--N 1.417 5.058 0 C-N-CA 126.263 1.887 . . . . 0.0 115.909 -169.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -158.51 167.29 30.03 Favored 'General case' 0 CA--C 1.625 3.836 0 C-N-CA 129.185 2.994 . . . . 0.0 108.771 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.597 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.6 m -133.7 145.81 50.23 Favored 'General case' 1 C--N 1.438 4.424 0 C-N-CA 124.357 1.063 . . . . 0.0 110.704 166.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.529 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.538 1.9 pp -119.12 126.2 75.15 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.214 0 N-CA-C 119.476 3.139 . . . . 0.0 119.476 -175.437 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.462 ' HB3' HD12 ' B' ' 6' ' ' ILE . . . -106.36 118.4 36.55 Favored 'General case' 1 C--N 1.437 4.388 0 CA-C-N 112.664 -2.062 . . . . 0.0 111.1 -177.062 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.95 162.67 36.46 Favored Glycine 0 N--CA 1.516 3.983 0 C-N-CA 125.103 1.335 . . . . 0.0 114.295 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.17 139.76 3.27 Favored Glycine 2 C--N 1.417 5.079 0 N-CA-C 118.836 2.294 . . . . 0.0 118.836 -172.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.269 7.0 p -101.47 -40.12 7.21 Favored 'General case' 1 N--CA 1.56 5.043 0 C-N-CA 125.958 1.703 . . . . 0.0 113.286 164.554 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.39 -34.05 8.41 Favored 'General case' 2 C--N 1.433 4.204 0 C-N-CA 126.001 1.72 . . . . 0.0 113.264 177.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -101.01 118.25 60.79 Favored Pre-proline 2 C--N 1.446 4.761 0 C-N-CA 126.891 2.076 . . . . 0.0 112.67 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.424 ' HB3' ' H ' ' A' ' 34' ' ' ASP . 3.2 Cg_exo -73.96 152.23 46.09 Favored 'Trans proline' 3 C--N 1.543 10.791 0 C-N-CA 123.449 2.766 . . . . 0.0 117.369 176.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.597 ' HD1' ' HG2' ' B' ' 4' ' ' GLU . 40.6 t60 -96.18 -63.96 1.1 Allowed 'General case' 0 C--N 1.426 3.901 0 C-N-CA 126.57 1.948 . . . . 0.0 111.218 169.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.304 3.0 tp -116.57 2.86 7.65 Favored 'Isoleucine or valine' 1 CA--C 1.663 5.305 0 C-N-CA 127.183 2.193 . . . . 0.0 113.432 -165.379 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.08 65.58 0.52 Allowed Glycine 1 C--N 1.398 4.011 0 C-N-CA 127.559 2.504 . . . . 0.0 113.193 -174.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' H ' ' HB3' ' A' ' 30' ' ' PRO 0.468 7.9 m-20 69.62 75.84 0.22 Allowed 'General case' 2 N--CA 1.561 5.076 0 C-N-CA 130.475 3.51 . . . . 0.0 115.463 -178.027 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -106.3 119.93 50.35 Favored Pre-proline 1 CA--C 1.676 5.815 0 CA-C-N 112.45 -2.159 . . . . 0.0 111.266 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -75.79 -26.39 9.75 Favored 'Trans proline' 3 C--N 1.548 11.063 0 C-N-CA 123.962 3.108 . . . . 0.0 118.552 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.5 m -92.39 151.39 20.28 Favored 'General case' 2 N--CA 1.554 4.765 0 C-N-CA 126.959 2.103 . . . . 0.0 114.475 -175.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.264 2.2 mm -96.09 111.64 26.73 Favored 'Isoleucine or valine' 3 C--N 1.451 4.98 0 C-N-CA 126.083 1.753 . . . . 0.0 108.477 -179.858 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -122.28 149.97 42.98 Favored 'General case' 1 N--CA 1.539 4.005 0 C-N-CA 130.029 3.332 . . . . 0.0 111.801 -170.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.35 141.7 13.94 Favored 'Isoleucine or valine' 2 C--N 1.451 5.02 0 C-N-CA 125.486 1.514 . . . . 0.0 110.17 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.312 3.2 p -145.66 -26.62 0.46 Allowed 'General case' 1 N--CA 1.556 4.834 0 C-N-CA 127.668 2.387 . . . . 0.0 113.573 -177.835 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.597 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.278 51.2 tptt -121.83 127.63 50.77 Favored 'General case' 1 C--N 1.465 5.591 0 C-N-CA 124.459 1.103 . . . . 0.0 112.636 177.074 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.619 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.269 42.1 mm -127.41 124.26 63.46 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.285 0 C-N-CA 127.522 2.329 . . . . 0.0 108.102 173.143 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.297 3.7 mp -78.17 131.2 69.98 Favored Pre-proline 2 CA--C 1.682 6.02 0 C-N-CA 126.505 1.922 . . . . 0.0 110.884 171.834 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.93 -22.4 55.86 Favored 'Trans proline' 3 C--N 1.535 10.371 0 C-N-CA 124.231 3.288 . . . . 0.0 117.427 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.82 43.0 1.33 Allowed Glycine 1 C--N 1.43 5.757 0 CA-C-O 118.307 -1.274 . . . . 0.0 115.815 178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.84 -177.97 32.14 Favored Glycine 2 C--N 1.438 6.248 0 C-N-CA 125.362 1.458 . . . . 0.0 115.216 173.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.92 -37.33 29.78 Favored 'General case' 0 N--CA 1.536 3.835 0 C-N-CA 127.887 2.475 . . . . 0.0 115.689 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.65 -22.86 40.13 Favored 'General case' 2 N--CA 1.556 4.829 0 C-N-CA 126.547 1.939 . . . . 0.0 115.739 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.28 -42.59 14.49 Favored 'General case' 1 C--N 1.446 4.783 0 C-N-CA 127.26 2.224 . . . . 0.0 113.401 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -90.94 -57.02 2.95 Favored 'General case' 1 C--N 1.449 4.934 0 C-N-CA 127.164 2.186 . . . . 0.0 114.812 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.04 -33.0 15.69 Favored 'General case' 1 C--N 1.46 5.376 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 -173.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.03 -47.0 5.44 Favored Glycine 2 C--N 1.441 6.372 0 N-CA-C 117.522 1.769 . . . . 0.0 117.522 -173.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.584 98.7 mtt180 88.24 52.57 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.823 0 C-N-CA 130.438 3.495 . . . . 0.0 116.76 -179.192 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tp -111.38 130.49 55.68 Favored 'General case' 0 C--N 1.416 3.471 0 C-N-CA 127.662 2.385 . . . . 0.0 111.494 171.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.41 154.64 24.34 Favored 'General case' 0 N--CA 1.526 3.339 0 C-N-CA 127.724 2.41 . . . . 0.0 110.344 169.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG21 HG12 ' A' ' 43' ' ' ILE . 5.9 p -54.81 -27.6 18.78 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.424 0 C-N-CA 129.009 2.924 . . . . 0.0 115.896 178.562 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.291 28.5 p30 -91.51 8.56 35.91 Favored 'General case' 1 CA--C 1.654 4.972 0 C-N-CA 128.836 2.855 . . . . 0.0 113.942 178.133 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.07 -34.05 22.33 Favored 'General case' 2 C--N 1.491 6.733 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 m 45.49 118.41 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.397 0 C-N-CA 129.047 2.939 . . . . 0.0 116.389 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.533 HG23 HG13 ' A' ' 64' ' ' VAL . 6.0 mt -84.81 127.63 39.69 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.783 0 C-N-CA 124.697 1.199 . . . . 0.0 110.307 -175.22 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.258 1.4 pt? -94.05 -42.9 8.77 Favored 'General case' 1 C--N 1.431 4.138 0 O-C-N 125.139 1.524 . . . . 0.0 112.438 170.477 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -134.44 132.66 39.59 Favored 'General case' 2 C--N 1.448 4.853 0 O-C-N 124.721 1.263 . . . . 0.0 113.831 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.533 HG13 HG23 ' A' ' 61' ' ' ILE 0.512 3.0 m -116.56 136.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.413 3.327 0 C-N-CA 124.97 1.308 . . . . 0.0 113.197 173.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.292 2.0 m120 71.91 -78.04 0.05 Allowed 'General case' 2 N--CA 1.553 4.695 0 C-N-CA 128.912 2.885 . . . . 0.0 112.042 179.389 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -151.71 4.74 0.43 Allowed 'General case' 2 CA--C 1.641 4.48 1 C-N-CA 132.672 4.389 . . . . 0.0 108.625 170.762 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.346 31.6 m -100.75 156.25 4.3 Favored 'Isoleucine or valine' 1 C--N 1.455 5.182 0 C-N-CA 127.915 2.486 . . . . 0.0 115.372 -168.444 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.403 4.4 p30 -85.3 95.8 9.33 Favored 'General case' 0 C--N 1.413 3.35 0 C-N-CA 127.58 2.352 . . . . 0.0 114.714 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.556 3.6 m -93.6 33.07 0.15 Allowed 'Isoleucine or valine' 1 N--CA 1.557 4.911 0 CA-C-O 123.504 1.621 . . . . 0.0 114.482 170.079 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -82.56 -35.71 26.94 Favored 'General case' 0 N--CA 1.532 3.672 0 CA-C-N 111.791 -2.459 . . . . 0.0 112.9 170.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . 0.308 0.1 OUTLIER -159.03 91.52 1.04 Allowed 'General case' 1 C--N 1.492 6.78 0 C-N-CA 128.003 2.521 . . . . 0.0 110.815 179.818 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.279 27.8 m -142.46 166.02 16.24 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.328 0 C-N-CA 126.908 2.083 . . . . 0.0 109.859 175.543 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -76.85 158.07 31.04 Favored 'General case' 1 N--CA 1.56 5.026 0 C-N-CA 125.833 1.653 . . . . 0.0 111.77 167.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -48.98 -54.64 14.74 Favored 'General case' 3 N--CA 1.581 6.078 0 C-N-CA 128.434 2.694 . . . . 0.0 112.392 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -61.58 -34.67 76.0 Favored 'General case' 2 C--N 1.456 5.233 0 C-N-CA 126.751 2.02 . . . . 0.0 113.427 176.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.79 -22.65 62.34 Favored 'General case' 2 C--N 1.46 5.372 0 C-N-CA 128.106 2.562 . . . . 0.0 114.424 174.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.29 -30.55 17.42 Favored 'General case' 1 C--N 1.461 5.426 0 C-N-CA 126.553 1.941 . . . . 0.0 112.926 175.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.99 -41.71 27.58 Favored 'Isoleucine or valine' 3 N--CA 1.583 6.19 0 C-N-CA 127.204 2.201 . . . . 0.0 110.695 174.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 39.5 mt-10 -62.93 -24.0 67.65 Favored 'General case' 2 N--CA 1.598 6.95 0 C-N-CA 128.585 2.754 . . . . 0.0 115.615 178.324 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.55 -29.31 63.45 Favored 'General case' 1 C--N 1.43 4.078 0 C-N-CA 126.479 1.911 . . . . 0.0 111.751 168.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.253 12.4 mt -94.37 -25.72 16.84 Favored 'General case' 1 C--N 1.453 5.105 0 C-N-CA 127.868 2.467 . . . . 0.0 116.344 179.81 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -90.28 -36.72 14.54 Favored 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 127.156 2.183 . . . . 0.0 113.586 174.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.267 39.8 mt-10 -90.52 -16.84 28.11 Favored 'General case' 2 N--CA 1.597 6.901 0 N-CA-C 120.048 3.351 . . . . 0.0 120.048 -176.544 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.55 -22.46 13.23 Favored 'General case' 3 N--CA 1.6 7.063 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.99 -35.01 4.91 Favored Glycine 1 C--N 1.424 5.43 0 N-CA-C 120.092 2.797 . . . . 0.0 120.092 164.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 t -175.25 -30.75 0.01 OUTLIER 'General case' 1 N--CA 1.577 5.881 0 C-N-CA 128.426 2.69 . . . . 0.0 110.935 -175.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.288 36.4 mm -126.44 129.7 71.84 Favored 'Isoleucine or valine' 1 C--N 1.44 4.506 0 C-N-CA 125.641 1.576 . . . . 0.0 109.1 179.34 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.365 22.0 m -123.32 123.59 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.596 0 C-N-CA 127.901 2.48 . . . . 0.0 112.365 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.411 34.0 ptt180 -111.83 124.82 53.16 Favored 'General case' 1 N--CA 1.544 4.245 0 C-N-CA 126.286 1.834 . . . . 0.0 114.884 -179.899 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 139.22 48.91 Favored 'General case' 0 N--CA 1.523 3.176 0 C-N-CA 128.095 2.558 . . . . 0.0 113.414 177.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -119.47 111.1 17.7 Favored 'General case' 0 C--O 1.302 3.852 0 C-N-CA 126.801 2.04 . . . . 0.0 110.498 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.256 32.9 m -106.53 160.96 5.88 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.471 0 O-C-N 126.535 2.397 . . . . 0.0 115.008 -174.781 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.338 0.0 OUTLIER -122.16 115.71 22.9 Favored 'General case' 1 N--CA 1.561 5.1 0 C-N-CA 127.272 2.229 . . . . 0.0 113.306 -177.926 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -116.76 151.46 36.39 Favored 'General case' 0 N--CA 1.535 3.789 0 C-N-CA 127.601 2.361 . . . . 0.0 111.652 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -85.4 138.95 31.93 Favored 'General case' 0 CA--C 1.627 3.93 0 C-N-CA 128.203 2.601 . . . . 0.0 111.67 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.301 20.4 pttp -55.78 131.78 72.6 Favored Pre-proline 2 CA--C 1.677 5.848 0 C-N-CA 128.988 2.915 . . . . 0.0 117.214 -179.806 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.53 -39.82 61.98 Favored 'Trans proline' 3 C--N 1.549 11.12 0 C-N-CA 124.703 3.602 . . . . 0.0 119.75 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -63.04 136.33 55.94 Favored 'Trans proline' 3 C--N 1.567 12.067 0 C-N-CA 123.796 2.997 . . . . 0.0 117.526 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.431 4.132 0 C-N-CA 126.827 2.051 . . . . 0.0 112.834 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.353 6.2 p . . . . . 0 CA--C 1.615 3.457 0 CA-C-O 120.753 0.311 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.318 7.7 p -101.93 -12.85 8.61 Favored 'Isoleucine or valine' 1 CA--C 1.666 5.439 0 C-N-CA 126.898 2.079 . . . . 0.0 115.572 -172.457 . . . . . . . . 3 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -119.81 -17.85 8.43 Favored 'General case' 2 N--CA 1.561 5.113 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -171.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.597 ' HG2' ' HD1' ' A' ' 31' ' ' HIS . 8.4 tp10 -115.02 155.49 26.88 Favored 'General case' 0 CA--C 1.628 3.977 0 C-N-CA 128.099 2.559 . . . . 0.0 112.938 -171.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.291 0.0 OUTLIER -103.24 -41.34 6.08 Favored 'General case' 0 C--N 1.427 3.953 0 C-N-CA 127.163 2.185 . . . . 0.0 113.112 172.552 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 1.602 ' CA ' ' CB ' ' B' ' 6' ' ' ILE 0.62 10.6 tp 56.99 73.11 0.1 OUTLIER 'Isoleucine or valine' 3 N--CA 1.579 6.004 0 C-N-CA 129.848 3.259 . . . . 0.0 115.963 178.758 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 73.3 m -126.79 22.58 6.81 Favored 'General case' 2 N--CA 1.56 5.068 0 C-N-CA 127.628 2.371 . . . . 0.0 113.392 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.529 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 67.9 m -77.42 -167.7 0.99 Allowed 'General case' 3 N--CA 1.56 5.074 0 C-N-CA 127.84 2.456 . . . . 0.0 115.077 -175.03 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 2 N--CA 1.553 4.709 0 C-N-CA 126.637 1.975 . . . . 0.0 109.184 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.474 0 CA-C-O 119.39 -0.672 . . . . 0.0 112.821 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.64 153.86 21.76 Favored 'General case' 0 N--CA 1.539 3.989 0 C-N-CA 126.491 1.916 . . . . 0.0 113.744 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.547 2.1 mpt? 81.6 120.07 0.05 OUTLIER 'General case' 2 C--N 1.452 5.036 0 C-N-CA 130.025 3.33 . . . . 0.0 116.909 179.343 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.339 9.6 pt-20 -120.26 146.5 46.01 Favored 'General case' 0 N--CA 1.539 3.993 0 C-N-CA 128.202 2.601 . . . . 0.0 115.024 178.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.29 24.8 ptm -72.05 160.75 31.96 Favored 'General case' 2 N--CA 1.56 5.04 0 C-N-CA 127.996 2.518 . . . . 0.0 114.779 179.323 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.362 11.1 pt-20 -117.39 121.12 40.22 Favored 'General case' 1 N--CA 1.551 4.618 0 C-N-CA 125.704 1.602 . . . . 0.0 114.453 -172.106 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -108.13 145.22 34.44 Favored 'General case' 1 N--CA 1.55 4.541 0 C-N-CA 126.242 1.817 . . . . 0.0 113.12 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -130.7 135.68 48.05 Favored 'General case' 2 C--N 1.439 4.493 0 C-N-CA 124.937 1.295 . . . . 0.0 111.078 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.283 11.7 pt-20 -107.2 113.96 27.71 Favored 'General case' 0 C--N 1.426 3.902 0 C-N-CA 126.442 1.897 . . . . 0.0 112.659 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt -113.06 141.75 27.68 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.13 0 C-N-CA 124.673 1.189 . . . . 0.0 110.286 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.262 0.6 OUTLIER -113.18 123.03 49.26 Favored 'General case' 1 N--CA 1.54 4.04 0 C-N-CA 126.738 2.015 . . . . 0.0 113.09 170.703 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 mt -121.45 149.55 42.87 Favored 'General case' 0 N--CA 1.523 3.206 0 C-N-CA 127.601 2.36 . . . . 0.0 112.285 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -99.03 128.43 45.17 Favored 'General case' 0 N--CA 1.537 3.91 0 C-N-CA 126.068 1.747 . . . . 0.0 108.898 173.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.303 2.3 tpm_? -65.35 103.34 0.79 Allowed 'General case' 1 N--CA 1.549 4.505 0 C-N-CA 127.988 2.515 . . . . 0.0 114.816 -176.083 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.56 87.31 0.08 OUTLIER Glycine 2 C--N 1.429 5.728 0 N-CA-C 119.437 2.535 . . . . 0.0 119.437 173.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -90.6 -40.28 12.02 Favored 'General case' 1 N--CA 1.568 5.473 0 C-N-CA 126.258 1.823 . . . . 0.0 110.514 167.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.4 p -120.09 -12.76 9.06 Favored 'General case' 2 CA--C 1.643 4.535 0 C-N-CA 129.167 2.987 . . . . 0.0 111.7 167.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.81 37.6 1.53 Allowed Glycine 1 C--N 1.45 6.889 0 C-N-CA 127.836 2.636 . . . . 0.0 112.601 -175.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.464 3.2 mm? 54.33 135.7 0.0 OUTLIER 'General case' 2 C--N 1.471 5.854 0 C-N-CA 130.084 3.354 . . . . 0.0 117.154 -172.606 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . -95.72 46.92 1.9 Allowed Glycine 1 C--N 1.42 5.244 0 C-N-CA 125.922 1.725 . . . . 0.0 116.719 -174.795 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -159.91 170.84 20.53 Favored 'General case' 2 C--N 1.458 5.298 0 C-N-CA 127.356 2.262 . . . . 0.0 110.687 172.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.482 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 72.9 m -140.62 142.78 35.0 Favored 'General case' 1 C--N 1.45 4.966 0 C-N-CA 126.165 1.786 . . . . 0.0 110.053 166.591 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.397 0.1 OUTLIER -110.67 132.37 59.27 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.007 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -176.901 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.47 118.1 35.72 Favored 'General case' 1 C--N 1.452 5.042 0 O-C-N 124.898 1.374 . . . . 0.0 110.911 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.59 155.89 26.86 Favored Glycine 0 C--N 1.386 3.318 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.434 -175.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.05 140.54 3.51 Favored Glycine 1 C--N 1.398 4.018 0 N-CA-C 118.352 2.101 . . . . 0.0 118.352 -172.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 9.3 p -100.69 -35.45 9.47 Favored 'General case' 1 N--CA 1.558 4.939 0 C-N-CA 126.196 1.799 . . . . 0.0 113.382 165.973 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -104.0 -36.7 7.65 Favored 'General case' 1 C--N 1.434 4.251 0 C-N-CA 125.608 1.563 . . . . 0.0 113.2 177.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -101.53 114.59 65.64 Favored Pre-proline 2 CA--C 1.678 5.89 0 C-N-CA 127.134 2.174 . . . . 0.0 110.652 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.65 165.9 29.46 Favored 'Trans proline' 3 C--N 1.538 10.533 0 C-N-CA 123.562 2.841 . . . . 0.0 117.136 177.146 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -121.06 -51.08 2.12 Favored 'General case' 1 C--N 1.43 4.096 0 C-N-CA 126.719 2.008 . . . . 0.0 109.839 166.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.413 0.4 OUTLIER -136.78 98.55 1.72 Allowed 'Isoleucine or valine' 1 C--N 1.443 4.641 0 C-N-CA 128.158 2.583 . . . . 0.0 112.04 -175.557 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.18 24.86 52.82 Favored Glycine 3 N--CA 1.571 7.67 0 C-N-CA 127.616 2.531 . . . . 0.0 119.127 175.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.422 13.0 t70 69.94 68.98 0.23 Allowed 'General case' 3 N--CA 1.565 5.277 0 C-N-CA 130.407 3.483 . . . . 0.0 112.905 -175.176 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.71 133.37 20.31 Favored Pre-proline 1 CA--C 1.652 4.893 0 C-N-CA 127.773 2.429 . . . . 0.0 114.498 179.112 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -74.29 -24.24 14.62 Favored 'Trans proline' 3 C--N 1.555 11.396 0 C-N-CA 124.34 3.36 . . . . 0.0 119.611 -177.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.7 m -78.88 143.96 35.41 Favored 'General case' 2 N--CA 1.566 5.33 0 C-N-CA 126.833 2.053 . . . . 0.0 115.469 -173.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.253 0.5 OUTLIER -97.05 125.11 50.15 Favored 'Isoleucine or valine' 2 C--N 1.451 4.978 0 C-N-CA 125.963 1.705 . . . . 0.0 109.535 -178.895 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . 0.314 20.3 p90 -141.91 157.83 44.51 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 128.034 2.533 . . . . 0.0 113.589 -177.483 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.472 ' HB ' ' HA ' ' A' ' 57' ' ' VAL . 1.3 mm -84.06 144.71 9.37 Favored 'Isoleucine or valine' 2 C--N 1.447 4.846 0 C-N-CA 126.96 2.104 . . . . 0.0 111.187 -179.425 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.303 5.9 p -147.61 -29.2 0.34 Allowed 'General case' 1 N--CA 1.549 4.48 0 C-N-CA 128.063 2.545 . . . . 0.0 113.659 -178.386 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.2 tmtm? -122.15 124.89 44.93 Favored 'General case' 1 C--N 1.475 6.033 0 O-C-N 123.644 0.59 . . . . 0.0 111.103 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.625 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 40.3 mm -123.53 128.74 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.38 0 C-N-CA 127.179 2.192 . . . . 0.0 108.222 173.289 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.305 3.9 mp -80.68 134.42 54.03 Favored Pre-proline 2 CA--C 1.682 6.039 0 C-N-CA 125.72 1.608 . . . . 0.0 111.477 172.756 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -66.37 -23.24 51.5 Favored 'Trans proline' 3 C--N 1.537 10.498 0 C-N-CA 124.22 3.28 . . . . 0.0 117.607 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.41 43.92 1.25 Allowed Glycine 1 C--N 1.43 5.753 0 CA-C-O 118.264 -1.298 . . . . 0.0 115.673 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.428 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -101.75 -177.25 28.27 Favored Glycine 2 C--N 1.434 6.003 0 C-N-CA 125.577 1.561 . . . . 0.0 115.839 175.064 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.42 -35.36 35.25 Favored 'General case' 0 N--CA 1.538 3.965 0 C-N-CA 128.025 2.53 . . . . 0.0 115.814 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.4 38.4 Favored 'General case' 2 N--CA 1.555 4.778 0 C-N-CA 126.539 1.936 . . . . 0.0 116.159 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.69 -41.32 14.28 Favored 'General case' 1 C--N 1.442 4.589 0 C-N-CA 127.082 2.153 . . . . 0.0 113.639 177.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -90.91 -56.73 3.06 Favored 'General case' 2 C--N 1.449 4.897 0 C-N-CA 126.96 2.104 . . . . 0.0 114.653 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -90.93 -33.12 15.72 Favored 'General case' 1 C--N 1.46 5.398 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -174.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.48 -48.95 4.33 Favored Glycine 2 C--N 1.441 6.372 0 N-CA-C 117.657 1.823 . . . . 0.0 117.657 -173.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.537 99.2 mtt180 88.01 50.57 0.01 OUTLIER 'General case' 2 N--CA 1.582 6.166 0 C-N-CA 130.425 3.49 . . . . 0.0 116.26 -179.209 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.62 127.85 55.87 Favored 'General case' 0 C--N 1.42 3.666 0 C-N-CA 127.647 2.379 . . . . 0.0 111.958 172.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -111.76 160.42 17.33 Favored 'General case' 0 N--CA 1.532 3.631 0 C-N-CA 128.171 2.588 . . . . 0.0 110.59 170.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 43' ' ' ILE 0.276 2.9 m -52.63 -29.85 14.26 Favored 'Isoleucine or valine' 1 N--CA 1.629 8.494 0 C-N-CA 127.704 2.401 . . . . 0.0 116.07 175.047 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -90.58 7.94 36.65 Favored 'General case' 1 CA--C 1.667 5.454 0 C-N-CA 128.992 2.917 . . . . 0.0 112.098 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.33 -35.93 15.82 Favored 'General case' 2 C--N 1.49 6.674 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m 45.96 118.23 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.704 0 C-N-CA 129.393 3.077 . . . . 0.0 116.394 175.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.609 HG21 HG22 ' A' ' 64' ' ' VAL 0.251 7.7 mt -85.33 131.15 34.92 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.2 0 C-N-CA 124.381 1.072 . . . . 0.0 110.657 -175.68 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -95.86 -45.04 7.13 Favored 'General case' 0 C--N 1.427 3.958 0 O-C-N 125.203 1.565 . . . . 0.0 112.45 168.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -131.09 121.6 25.24 Favored 'General case' 1 C--N 1.453 5.087 0 O-C-N 124.944 1.403 . . . . 0.0 113.432 -175.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.609 HG22 HG21 ' A' ' 61' ' ' ILE 0.381 2.1 p -120.45 129.57 75.41 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.92 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -176.011 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.3 t30 73.2 3.19 4.58 Favored 'General case' 2 N--CA 1.622 8.15 0 C-N-CA 129.005 2.922 . . . . 0.0 111.25 -170.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.409 45.0 mt-10 84.3 15.26 0.24 Allowed 'General case' 3 N--CA 1.573 5.724 0 C-N-CA 131.204 3.802 . . . . 0.0 112.202 -160.882 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.502 HG21 ' O ' ' A' ' 64' ' ' VAL 0.359 4.6 m -92.2 155.87 3.07 Favored 'Isoleucine or valine' 1 C--N 1.474 6.004 0 C-N-CA 126.606 1.963 . . . . 0.0 112.917 -178.42 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.79 99.28 11.99 Favored 'General case' 0 CA--C 1.608 3.192 0 O-C-N 126.029 2.081 . . . . 0.0 111.114 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.502 29.0 m -93.21 -17.33 7.41 Favored 'Isoleucine or valine' 1 N--CA 1.559 4.977 0 CA-C-N 111.644 -2.525 . . . . 0.0 116.843 177.205 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.374 38.6 ptt180 -44.04 -26.18 0.27 Allowed 'General case' 2 N--CA 1.589 6.498 0 N-CA-C 118.68 2.844 . . . . 0.0 118.68 -177.145 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -145.96 78.07 1.51 Allowed 'General case' 1 C--N 1.442 4.614 0 C-N-CA 129.395 3.078 . . . . 0.0 108.864 175.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 1.549 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.289 17.7 m -142.04 162.65 19.66 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.64 0 C-N-CA 126.729 2.012 . . . . 0.0 110.858 178.327 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 p -78.44 164.42 24.78 Favored 'General case' 1 N--CA 1.57 5.54 0 C-N-CA 126.706 2.002 . . . . 0.0 111.489 167.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.253 11.7 p80 -52.99 -51.29 62.11 Favored 'General case' 2 N--CA 1.597 6.898 0 C-N-CA 126.176 1.79 . . . . 0.0 113.869 175.892 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.1 p -56.85 -37.84 71.85 Favored 'General case' 2 N--CA 1.558 4.955 0 C-N-CA 127.321 2.248 . . . . 0.0 114.139 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.88 -22.8 62.23 Favored 'General case' 2 C--N 1.446 4.77 0 C-N-CA 128.979 2.912 . . . . 0.0 114.476 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.46 -29.53 17.89 Favored 'General case' 1 C--N 1.459 5.34 0 C-N-CA 127.184 2.194 . . . . 0.0 113.352 174.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.46 -40.75 29.05 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.561 0 C-N-CA 127.714 2.406 . . . . 0.0 110.447 173.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.08 -21.78 66.41 Favored 'General case' 2 N--CA 1.595 6.799 0 C-N-CA 128.944 2.897 . . . . 0.0 115.774 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.2 61.52 Favored 'General case' 0 C--N 1.422 3.744 0 C-N-CA 126.938 2.095 . . . . 0.0 111.44 169.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.453 ' HA ' HG21 ' A' ' 88' ' ' VAL 0.258 15.4 mt -92.53 -38.13 12.11 Favored 'General case' 1 C--N 1.46 5.412 0 C-N-CA 127.521 2.328 . . . . 0.0 115.882 178.54 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -79.36 -35.02 41.51 Favored 'General case' 1 N--CA 1.546 4.361 0 C-N-CA 128.159 2.584 . . . . 0.0 113.264 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.29 40.8 mt-10 -87.28 -23.56 24.64 Favored 'General case' 2 N--CA 1.593 6.68 0 N-CA-C 119.754 3.242 . . . . 0.0 119.754 -177.664 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -23.89 64.06 Favored 'General case' 3 N--CA 1.59 6.556 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.35 -35.02 5.18 Favored Glycine 1 C--N 1.425 5.515 0 N-CA-C 120.188 2.835 . . . . 0.0 120.188 166.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.8 t -167.77 -33.12 0.02 OUTLIER 'General case' 1 N--CA 1.553 4.7 0 C-N-CA 127.715 2.406 . . . . 0.0 111.504 -172.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.3 26.4 mm -125.78 116.26 45.6 Favored 'Isoleucine or valine' 2 C--N 1.444 4.682 0 C-N-CA 125.262 1.425 . . . . 0.0 109.534 -175.876 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.453 HG21 ' HA ' ' A' ' 81' ' ' LEU 0.327 0.8 OUTLIER -120.94 125.36 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.148 0 C-N-CA 128.638 2.775 . . . . 0.0 111.559 -176.191 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.4 30.2 ptt180 -117.68 102.0 8.79 Favored 'General case' 1 N--CA 1.564 5.265 0 C-N-CA 126.637 1.975 . . . . 0.0 115.731 -174.486 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.49 137.39 34.61 Favored 'General case' 0 C--N 1.416 3.492 0 C-N-CA 127.028 2.131 . . . . 0.0 113.947 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -117.45 112.33 20.51 Favored 'General case' 0 C--O 1.305 3.999 0 C-N-CA 126.722 2.009 . . . . 0.0 110.765 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.268 35.0 m -106.11 159.66 6.05 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.176 0 O-C-N 126.719 2.512 . . . . 0.0 115.249 -174.434 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.302 26.0 ptt? -125.15 117.15 23.26 Favored 'General case' 1 N--CA 1.563 5.196 0 C-N-CA 127.778 2.431 . . . . 0.0 114.09 -175.349 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -114.92 147.44 39.98 Favored 'General case' 0 CA--C 1.616 3.497 0 C-N-CA 127.91 2.484 . . . . 0.0 108.666 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -81.65 142.53 32.66 Favored 'General case' 1 CA--C 1.635 4.222 0 C-N-CA 127.468 2.307 . . . . 0.0 113.184 -175.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -65.04 130.77 94.98 Favored Pre-proline 2 CA--C 1.672 5.647 0 C-N-CA 129.372 3.069 . . . . 0.0 115.955 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.77 128.66 14.46 Favored 'Trans proline' 3 C--N 1.548 11.038 0 C-N-CA 123.575 2.85 . . . . 0.0 116.299 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -70.73 -34.52 11.22 Favored 'Trans proline' 3 C--N 1.547 10.987 0 C-N-CA 123.781 2.987 . . . . 0.0 117.679 177.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.449 4.915 0 C-N-CA 126.482 1.913 . . . . 0.0 112.685 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.449 14.2 m . . . . . 0 N--CA 1.538 3.935 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.267 5.1 m -108.02 2.16 9.76 Favored 'Isoleucine or valine' 2 N--CA 1.548 4.451 0 C-N-CA 128.517 2.727 . . . . 0.0 112.528 176.259 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -128.66 -8.86 5.06 Favored 'General case' 2 C--N 1.443 4.64 0 C-N-CA 126.6 1.96 . . . . 0.0 114.202 -171.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.316 25.9 tt0 -46.66 -96.31 0.0 OUTLIER 'General case' 2 CA--C 1.656 5.036 0 C-N-CA 130.17 3.388 . . . . 0.0 117.921 -168.931 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.341 4.8 tmt_? 50.33 72.13 0.36 Allowed 'General case' 3 C--N 1.479 6.201 0 C-N-CA 128.876 2.871 . . . . 0.0 111.194 -168.694 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.47 15.0 tt -80.89 -84.02 0.06 OUTLIER 'Isoleucine or valine' 2 CA--C 1.643 4.541 0 C-N-CA 126.01 1.724 . . . . 0.0 113.39 -171.126 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.261 68.2 m 48.48 22.33 0.47 Allowed 'General case' 3 N--CA 1.614 7.741 0 C-N-CA 129.104 2.962 . . . . 0.0 117.016 -179.374 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -82.64 -172.77 4.25 Favored 'General case' 3 CA--C 1.643 4.523 0 C-N-CA 127.951 2.501 . . . . 0.0 114.788 -172.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.262 2.9 t . . . . . 2 N--CA 1.552 4.632 0 C-N-CA 126.786 2.034 . . . . 0.0 109.651 -174.373 . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.575 0 CA-C-O 119.401 -0.666 . . . . 0.0 112.835 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.45 133.99 51.15 Favored 'General case' 0 C--N 1.425 3.86 0 C-N-CA 126.55 1.94 . . . . 0.0 112.913 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.6 mtt -103.22 130.06 50.34 Favored 'General case' 2 N--CA 1.549 4.515 0 C-N-CA 126.184 1.794 . . . . 0.0 113.881 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -120.56 161.48 21.24 Favored 'General case' 1 N--CA 1.547 4.413 0 C-N-CA 127.326 2.25 . . . . 0.0 112.186 -177.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.328 26.5 ptt? -76.74 169.87 17.5 Favored 'General case' 2 CA--C 1.648 4.713 0 C-N-CA 127.762 2.425 . . . . 0.0 115.101 -177.962 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.353 10.3 pt-20 -108.72 113.8 27.06 Favored 'General case' 1 C--N 1.428 4.017 0 C-N-CA 126.687 1.995 . . . . 0.0 113.003 -174.257 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -100.55 142.27 32.26 Favored 'General case' 1 N--CA 1.543 4.195 0 C-N-CA 126.521 1.928 . . . . 0.0 113.314 -174.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -127.08 132.86 50.56 Favored 'General case' 1 C--N 1.432 4.195 0 C-N-CA 124.748 1.219 . . . . 0.0 110.78 -177.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.294 11.7 pt-20 -105.96 112.72 25.89 Favored 'General case' 0 C--N 1.42 3.657 0 C-N-CA 126.442 1.897 . . . . 0.0 112.595 175.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -111.64 139.24 36.87 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.623 0 C-N-CA 124.726 1.21 . . . . 0.0 109.265 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.492 HG22 ' HB3' ' A' ' 89' ' ' ARG . 1.8 m -121.57 121.06 36.59 Favored 'General case' 0 N--CA 1.529 3.478 0 C-N-CA 126.003 1.721 . . . . 0.0 108.284 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -117.32 142.61 46.88 Favored 'General case' 0 C--N 1.403 2.9 0 C-N-CA 127.372 2.269 . . . . 0.0 111.537 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.299 0.0 OUTLIER -95.06 135.4 36.65 Favored 'General case' 0 C--N 1.417 3.521 0 C-N-CA 124.864 1.266 . . . . 0.0 110.89 166.664 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.507 ' HA ' HD23 ' A' ' 19' ' ' LEU 0.342 47.0 mtp180 -64.32 107.2 1.27 Allowed 'General case' 1 N--CA 1.542 4.171 0 C-N-CA 128.003 2.521 . . . . 0.0 116.529 -172.957 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.88 174.62 54.8 Favored Glycine 2 C--N 1.432 5.896 0 CA-C-N 112.663 -2.062 . . . . 0.0 117.897 -175.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -83.87 -26.51 29.38 Favored 'General case' 1 N--CA 1.563 5.194 0 C-N-CA 127.301 2.24 . . . . 0.0 114.65 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.2 p -93.09 -21.34 19.76 Favored 'General case' 1 C--N 1.438 4.433 0 C-N-CA 126.611 1.964 . . . . 0.0 115.51 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.21 37.99 1.42 Allowed Glycine 1 C--N 1.453 7.08 0 C-N-CA 124.644 1.116 . . . . 0.0 112.917 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 14' ' ' ARG 0.456 4.5 mt 72.93 -23.5 0.21 Allowed 'General case' 2 N--CA 1.564 5.255 0 C-N-CA 130.916 3.686 . . . . 0.0 118.482 176.652 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.45 27.12 9.41 Favored Glycine 1 C--N 1.413 4.834 0 N-CA-C 117.009 1.564 . . . . 0.0 117.009 175.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -154.96 169.17 24.7 Favored 'General case' 1 C--N 1.449 4.921 0 C-N-CA 127.315 2.246 . . . . 0.0 109.932 176.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.509 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 70.8 m -136.2 143.24 44.27 Favored 'General case' 1 C--N 1.444 4.699 0 C-N-CA 125.208 1.403 . . . . 0.0 110.484 169.229 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.544 2.1 pp -120.82 125.82 74.51 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.676 0 N-CA-C 119.444 3.127 . . . . 0.0 119.444 -176.788 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.26 131.85 49.99 Favored 'General case' 1 C--N 1.442 4.59 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.156 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.74 167.58 33.68 Favored Glycine 1 N--CA 1.519 4.178 0 C-N-CA 125.338 1.446 . . . . 0.0 113.642 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.37 125.22 0.87 Allowed Glycine 1 C--N 1.403 4.254 0 N-CA-C 119.444 2.538 . . . . 0.0 119.444 176.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.279 16.3 p -96.86 -30.42 13.15 Favored 'General case' 1 N--CA 1.566 5.355 0 C-N-CA 125.083 1.353 . . . . 0.0 113.019 162.3 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -109.77 -37.15 5.73 Favored 'General case' 1 C--N 1.436 4.345 0 C-N-CA 124.797 1.239 . . . . 0.0 112.965 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -101.25 142.56 24.85 Favored Pre-proline 2 CA--C 1.649 4.772 0 C-N-CA 126.944 2.097 . . . . 0.0 114.04 -178.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.41 162.58 20.13 Favored 'Trans proline' 3 C--N 1.548 11.073 0 C-N-CA 124.2 3.267 . . . . 0.0 118.554 176.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 6.6 t60 -122.27 -55.27 1.86 Allowed 'General case' 2 CA--C 1.638 4.336 0 C-N-CA 128.617 2.767 . . . . 0.0 109.99 172.258 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.523 HG21 ' HB2' ' A' ' 35' ' ' ASP 0.28 0.5 OUTLIER -124.58 22.17 3.95 Favored 'Isoleucine or valine' 2 CA--C 1.666 5.428 0 C-N-CA 127.457 2.303 . . . . 0.0 111.998 -170.676 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.1 -60.11 0.68 Allowed Glycine 0 C--N 1.394 3.804 0 C-N-CA 125.581 1.562 . . . . 0.0 112.931 -167.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -172.07 80.21 0.06 Allowed 'General case' 3 N--CA 1.558 4.937 0 C-N-CA 130.584 3.554 . . . . 0.0 107.716 175.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.523 ' HB2' HG21 ' A' ' 32' ' ' ILE . 6.4 t70 -110.45 139.89 21.97 Favored Pre-proline 2 CA--C 1.672 5.657 0 C-N-CA 125.775 1.63 . . . . 0.0 113.351 178.093 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.61 -19.89 11.09 Favored 'Trans proline' 3 C--N 1.554 11.366 0 C-N-CA 124.03 3.153 . . . . 0.0 118.776 174.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m -95.94 148.21 22.87 Favored 'General case' 2 N--CA 1.559 4.988 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 -172.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 1.602 ' CB ' ' CA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -89.95 128.7 41.75 Favored 'Isoleucine or valine' 3 CA--C 1.662 5.273 0 C-N-CA 128.049 2.54 . . . . 0.0 108.74 175.765 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -141.67 166.45 24.7 Favored 'General case' 2 C--O 1.33 5.324 0 C-N-CA 126.907 2.083 . . . . 0.0 110.781 175.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -87.86 139.87 16.68 Favored 'Isoleucine or valine' 1 C--N 1.466 5.663 0 C-N-CA 126.435 1.894 . . . . 0.0 108.209 169.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.591 ' HG1' HG12 ' B' ' 6' ' ' ILE 0.3 6.3 p -142.94 -25.95 0.6 Allowed 'General case' 1 N--CA 1.553 4.715 0 C-N-CA 127.307 2.243 . . . . 0.0 113.485 -175.064 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 10.2 tmtt? -128.4 128.42 44.44 Favored 'General case' 1 C--N 1.475 6.051 0 C-N-CA 123.482 0.713 . . . . 0.0 111.156 178.32 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.624 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.273 46.0 mm -124.37 130.68 73.53 Favored 'Isoleucine or valine' 0 C--N 1.414 3.379 0 C-N-CA 127.056 2.142 . . . . 0.0 108.577 174.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.3 mp -86.54 129.66 52.17 Favored Pre-proline 1 CA--C 1.679 5.941 0 C-N-CA 126.22 1.808 . . . . 0.0 110.263 173.436 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.75 -21.81 69.59 Favored 'Trans proline' 3 C--N 1.538 10.551 0 C-N-CA 124.436 3.424 . . . . 0.0 117.888 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.06 38.94 1.93 Allowed Glycine 1 C--N 1.428 5.676 0 CA-C-O 118.068 -1.407 . . . . 0.0 116.14 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.16 -177.8 38.97 Favored Glycine 2 C--N 1.442 6.449 0 C-N-CA 125.232 1.396 . . . . 0.0 116.35 174.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.99 -37.66 28.88 Favored 'General case' 0 N--CA 1.536 3.858 0 C-N-CA 128.686 2.794 . . . . 0.0 115.589 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.68 -25.76 35.26 Favored 'General case' 2 N--CA 1.555 4.81 0 C-N-CA 127.826 2.451 . . . . 0.0 115.851 177.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 -40.97 19.11 Favored 'General case' 1 C--N 1.45 4.965 0 C-N-CA 127.535 2.334 . . . . 0.0 113.323 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -90.7 -58.14 2.58 Favored 'General case' 1 C--N 1.451 4.983 0 C-N-CA 127.329 2.251 . . . . 0.0 114.23 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.39 -29.31 17.15 Favored 'General case' 2 C--N 1.46 5.371 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -37.44 13.19 Favored Glycine 2 C--N 1.438 6.242 0 N-CA-C 118.14 2.016 . . . . 0.0 118.14 -172.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.411 32.1 mmt180 87.46 17.34 0.08 Allowed 'General case' 2 N--CA 1.595 6.8 0 C-N-CA 130.094 3.358 . . . . 0.0 115.736 179.258 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 tp -90.69 127.82 36.43 Favored 'General case' 1 C--N 1.436 4.348 0 C-N-CA 126.786 2.034 . . . . 0.0 112.941 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.06 155.15 23.21 Favored 'General case' 0 N--CA 1.522 3.172 0 C-N-CA 128.369 2.668 . . . . 0.0 110.2 172.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.496 HG22 HG12 ' A' ' 43' ' ' ILE . 5.3 p -56.3 -26.66 22.64 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.1 0 C-N-CA 128.91 2.884 . . . . 0.0 115.944 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -91.85 8.85 35.36 Favored 'General case' 1 CA--C 1.67 5.579 0 C-N-CA 128.733 2.813 . . . . 0.0 112.305 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.37 -33.77 21.93 Favored 'General case' 2 C--N 1.489 6.647 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.26 68.8 m 45.94 120.09 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.401 0 C-N-CA 129.826 3.25 . . . . 0.0 116.811 175.719 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.585 HG21 HG13 ' A' ' 64' ' ' VAL . 10.3 mt -83.88 130.78 35.3 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.924 0 C-N-CA 124.892 1.277 . . . . 0.0 110.686 -176.507 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.269 1.5 pt? -96.0 -45.75 6.79 Favored 'General case' 1 C--N 1.433 4.202 0 O-C-N 125.295 1.622 . . . . 0.0 112.558 167.842 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.65 132.15 45.28 Favored 'General case' 2 C--N 1.449 4.923 0 O-C-N 124.764 1.29 . . . . 0.0 114.382 -176.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.585 HG13 HG21 ' A' ' 61' ' ' ILE 0.554 1.1 m -118.73 131.5 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.828 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 175.499 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.259 12.8 t-20 77.12 -74.15 0.08 Allowed 'General case' 2 N--CA 1.571 5.592 0 C-N-CA 130.78 3.632 . . . . 0.0 108.937 -176.07 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -156.92 5.03 0.15 Allowed 'General case' 1 CA--C 1.671 5.604 1 C-N-CA 132.565 4.346 . . . . 0.0 106.884 171.074 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.392 5.5 m -92.93 154.83 3.17 Favored 'Isoleucine or valine' 1 C--N 1.463 5.523 0 C-N-CA 127.897 2.479 . . . . 0.0 115.218 -169.687 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.06 100.38 12.6 Favored 'General case' 0 C--N 1.41 3.199 0 CA-C-N 111.89 -2.414 . . . . 0.0 111.51 -175.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.497 HG13 HG12 ' A' ' 38' ' ' ILE 0.384 0.9 OUTLIER -103.81 19.28 4.01 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.032 0 C-N-CA 127.409 2.284 . . . . 0.0 112.235 177.389 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.93 -28.06 61.33 Favored 'General case' 1 N--CA 1.548 4.445 0 C-N-CA 128.227 2.611 . . . . 0.0 113.145 171.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -159.64 84.51 0.76 Allowed 'General case' 1 C--N 1.477 6.11 0 C-N-CA 127.985 2.514 . . . . 0.0 110.206 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.281 35.2 m -146.72 169.14 5.24 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.354 0 C-N-CA 127.248 2.219 . . . . 0.0 110.909 176.905 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -80.21 161.66 25.07 Favored 'General case' 1 N--CA 1.56 5.036 0 C-N-CA 126.654 1.982 . . . . 0.0 110.548 166.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.274 19.5 p80 -53.46 -50.73 64.67 Favored 'General case' 2 N--CA 1.604 7.265 0 C-N-CA 125.038 1.335 . . . . 0.0 114.312 177.033 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.3 p -56.06 -37.32 69.12 Favored 'General case' 2 N--CA 1.556 4.858 0 C-N-CA 127.562 2.345 . . . . 0.0 114.167 175.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.26 -23.75 62.04 Favored 'General case' 1 C--N 1.447 4.813 0 C-N-CA 129.015 2.926 . . . . 0.0 114.396 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.46 -29.52 17.9 Favored 'General case' 1 C--N 1.461 5.454 0 C-N-CA 126.54 1.936 . . . . 0.0 113.117 174.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -74.67 -40.8 47.79 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.828 0 C-N-CA 127.645 2.378 . . . . 0.0 110.566 173.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -61.39 -26.12 67.64 Favored 'General case' 2 N--CA 1.574 5.746 0 C-N-CA 129.37 3.068 . . . . 0.0 115.117 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.37 -27.79 62.62 Favored 'General case' 1 C--N 1.442 4.625 0 C-N-CA 128.212 2.605 . . . . 0.0 112.141 170.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -92.12 -31.23 15.59 Favored 'General case' 1 C--N 1.455 5.162 0 C-N-CA 127.822 2.449 . . . . 0.0 115.313 178.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -83.24 -24.97 32.1 Favored 'General case' 0 N--CA 1.53 3.528 0 C-N-CA 127.795 2.438 . . . . 0.0 113.003 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.392 10.7 pt-20 -72.86 -45.54 57.73 Favored 'General case' 2 N--CA 1.58 6.029 0 N-CA-C 118.856 2.91 . . . . 0.0 118.856 175.387 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -19.84 63.55 Favored 'General case' 3 C--N 1.451 5.003 0 C-N-CA 126.42 1.888 . . . . 0.0 115.502 -174.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.09 -34.61 1.94 Allowed Glycine 1 C--N 1.42 5.226 0 N-CA-C 122.385 3.714 . . . . 0.0 122.385 168.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -154.74 -32.24 0.1 Allowed 'General case' 0 N--CA 1.539 3.996 0 C-N-CA 127.025 2.13 . . . . 0.0 111.942 -169.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 1.621 ' CA ' ' CB ' ' A' ' 87' ' ' ILE 0.294 40.5 mm -129.47 105.15 12.02 Favored 'Isoleucine or valine' 2 C--N 1.435 4.318 0 C-N-CA 125.57 1.548 . . . . 0.0 109.003 -176.091 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.307 0.0 OUTLIER -113.08 120.06 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.431 0 O-C-N 125.673 1.858 . . . . 0.0 114.092 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.492 ' HB3' HG22 ' A' ' 11' ' ' THR 0.4 36.7 ptt180 -112.6 108.23 17.23 Favored 'General case' 1 N--CA 1.554 4.754 0 C-N-CA 126.3 1.84 . . . . 0.0 115.257 -177.163 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.42 141.82 32.75 Favored 'General case' 0 N--CA 1.53 3.546 0 C-N-CA 128.724 2.809 . . . . 0.0 113.895 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -119.31 112.6 19.65 Favored 'General case' 0 C--O 1.302 3.84 0 C-N-CA 126.624 1.97 . . . . 0.0 111.108 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.276 34.3 m -106.99 159.93 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.418 0 O-C-N 126.687 2.492 . . . . 0.0 115.319 -174.952 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.304 25.4 ptt? -124.02 117.82 25.6 Favored 'General case' 1 N--CA 1.566 5.368 0 C-N-CA 127.56 2.344 . . . . 0.0 114.495 -175.501 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -122.09 147.21 46.4 Favored 'General case' 1 N--CA 1.54 4.052 0 C-N-CA 127.779 2.432 . . . . 0.0 110.234 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -71.01 142.34 50.94 Favored 'General case' 1 N--CA 1.561 5.082 0 C-N-CA 128.086 2.554 . . . . 0.0 116.353 -177.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.268 22.0 pttm -64.31 141.24 98.12 Favored Pre-proline 2 CA--C 1.673 5.675 0 C-N-CA 129.104 2.962 . . . . 0.0 116.884 -178.138 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -68.22 153.74 73.87 Favored 'Trans proline' 3 C--N 1.554 11.354 0 C-N-CA 124.088 3.192 . . . . 0.0 116.635 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -65.57 141.16 65.75 Favored 'Trans proline' 3 C--N 1.555 11.438 0 C-N-CA 124.11 3.207 . . . . 0.0 116.896 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.434 4.274 0 C-N-CA 126.549 1.94 . . . . 0.0 113.043 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.554 3.7 m . . . . . 1 N--CA 1.545 4.286 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 . . . . . . . . . 2 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.918 15.7 m -76.47 74.97 0.51 Allowed 'Isoleucine or valine' 1 N--CA 1.553 4.722 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 -178.039 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 59.3 p -122.45 106.59 11.18 Favored 'General case' 0 C--N 1.41 3.204 0 C-N-CA 129.937 3.295 . . . . 0.0 109.225 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.317 0.8 OUTLIER -155.95 -54.85 0.09 Allowed 'General case' 1 N--CA 1.555 4.792 0 C-N-CA 126.688 1.995 . . . . 0.0 114.832 -177.585 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.369 99.8 mtt180 75.79 77.73 0.1 Allowed 'General case' 2 N--CA 1.573 5.695 0 C-N-CA 130.033 3.333 . . . . 0.0 110.451 -165.491 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.591 HG12 ' HG1' ' A' ' 41' ' ' THR 0.512 11.3 tp -97.31 71.43 0.53 Allowed 'Isoleucine or valine' 2 N--CA 1.542 4.167 0 C-N-CA 125.328 1.451 . . . . 0.0 113.623 -175.186 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 72.7 m -125.08 24.52 7.48 Favored 'General case' 2 N--CA 1.561 5.083 0 C-N-CA 128.698 2.799 . . . . 0.0 112.101 176.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.411 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 70.6 m -80.96 -169.32 2.17 Favored 'General case' 3 CA--C 1.649 4.771 0 C-N-CA 128.269 2.628 . . . . 0.0 115.364 -172.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.474 HG12 HD12 ' A' ' 19' ' ' LEU . 3.2 t . . . . . 2 N--CA 1.552 4.643 0 C-N-CA 127.112 2.165 . . . . 0.0 108.819 -174.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.566 0 CA-C-O 119.868 -0.407 . . . . 0.0 112.864 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . 0.339 . . 60.6 122.84 0.01 OUTLIER 'General case' 2 N--CA 1.586 6.348 0 C-N-CA 130.14 3.376 . . . . 0.0 117.279 -179.836 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -111.07 143.81 41.2 Favored 'General case' 0 N--CA 1.537 3.904 0 C-N-CA 126.533 1.933 . . . . 0.0 113.185 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -87.21 165.42 15.71 Favored 'General case' 1 N--CA 1.551 4.586 0 C-N-CA 127.154 2.182 . . . . 0.0 114.152 -177.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.254 20.6 ptp -104.87 158.06 16.79 Favored 'General case' 0 CA--C 1.628 3.949 0 C-N-CA 128.629 2.772 . . . . 0.0 114.569 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.329 10.1 pt-20 -129.37 117.67 20.97 Favored 'General case' 1 N--CA 1.547 4.383 0 C-N-CA 128.628 2.771 . . . . 0.0 111.356 -179.898 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -95.44 145.68 24.98 Favored 'General case' 1 N--CA 1.558 4.926 0 C-N-CA 126.538 1.935 . . . . 0.0 114.061 -171.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -128.06 132.81 49.03 Favored 'General case' 2 C--N 1.445 4.745 0 C-N-CA 124.699 1.2 . . . . 0.0 111.3 -177.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.285 11.6 pt-20 -106.91 113.26 26.63 Favored 'General case' 0 N--CA 1.536 3.864 0 C-N-CA 126.627 1.971 . . . . 0.0 112.474 175.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mt -113.23 143.49 22.81 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.927 0 C-N-CA 125.414 1.486 . . . . 0.0 110.475 -177.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.261 0.5 OUTLIER -111.57 122.22 47.23 Favored 'General case' 0 N--CA 1.538 3.931 0 C-N-CA 127.005 2.122 . . . . 0.0 113.243 170.11 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -118.68 149.34 41.59 Favored 'General case' 0 N--CA 1.525 3.311 0 C-N-CA 127.676 2.39 . . . . 0.0 112.62 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.356 0.5 OUTLIER -101.51 129.6 47.61 Favored 'General case' 0 C--N 1.424 3.817 0 C-N-CA 125.199 1.4 . . . . 0.0 111.611 168.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -60.61 110.09 1.2 Allowed 'General case' 2 N--CA 1.55 4.569 0 C-N-CA 128.065 2.546 . . . . 0.0 113.121 -170.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.0 148.69 44.93 Favored Glycine 2 N--CA 1.539 5.507 0 N-CA-C 118.505 2.162 . . . . 0.0 118.505 -173.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -78.88 -27.15 43.96 Favored 'General case' 1 N--CA 1.568 5.457 0 C-N-CA 127.447 2.299 . . . . 0.0 113.825 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.2 m -90.58 -21.24 21.85 Favored 'General case' 1 C--N 1.441 4.562 0 C-N-CA 127.082 2.153 . . . . 0.0 112.714 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.2 54.66 0.48 Allowed Glycine 1 C--N 1.457 7.272 0 C-N-CA 125.598 1.57 . . . . 0.0 113.845 173.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.511 4.1 mm? 65.39 -44.89 0.36 Allowed 'General case' 2 C--N 1.449 4.905 0 N-CA-C 119.903 3.297 . . . . 0.0 119.903 -179.397 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.25 27.76 5.19 Favored Glycine 2 N--CA 1.525 4.576 0 C-N-CA 125.457 1.503 . . . . 0.0 115.953 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -156.16 166.19 34.17 Favored 'General case' 1 C--N 1.44 4.503 0 C-N-CA 128.759 2.824 . . . . 0.0 108.958 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.547 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.1 m -132.59 145.36 51.04 Favored 'General case' 1 C--N 1.441 4.567 0 C-N-CA 124.402 1.081 . . . . 0.0 111.462 169.024 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.478 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.583 2.0 pp -120.0 125.43 74.25 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.687 0 N-CA-C 120.121 3.378 . . . . 0.0 120.121 -175.153 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.67 119.37 39.24 Favored 'General case' 1 C--N 1.44 4.529 0 CA-C-N 113.348 -1.751 . . . . 0.0 112.848 -175.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.25 161.5 27.68 Favored Glycine 0 C--N 1.389 3.506 0 C-N-CA 125.496 1.522 . . . . 0.0 113.809 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.76 151.83 8.73 Favored Glycine 1 N--CA 1.523 4.498 0 N-CA-C 117.086 1.594 . . . . 0.0 117.086 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.266 12.2 p -98.41 -39.63 8.68 Favored 'General case' 1 N--CA 1.567 5.412 0 C-N-CA 126.161 1.784 . . . . 0.0 113.685 169.894 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.82 -36.85 8.93 Favored 'General case' 1 C--N 1.43 4.07 0 C-N-CA 126.19 1.796 . . . . 0.0 112.771 175.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -101.37 110.1 60.64 Favored Pre-proline 2 C--N 1.448 4.883 0 C-N-CA 127.184 2.194 . . . . 0.0 111.474 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -70.61 155.51 62.98 Favored 'Trans proline' 3 C--N 1.542 10.712 0 C-N-CA 123.619 2.879 . . . . 0.0 118.213 -177.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -101.94 -56.58 2.24 Favored 'General case' 0 C--N 1.427 3.97 0 C-N-CA 127.198 2.199 . . . . 0.0 111.518 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.298 2.9 tp -100.42 -24.24 4.17 Favored 'Isoleucine or valine' 1 CA--C 1.653 4.915 0 C-N-CA 126.913 2.085 . . . . 0.0 114.846 -168.928 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.5 -65.83 0.11 Allowed Glycine 0 C--N 1.39 3.561 0 C-N-CA 126.495 1.998 . . . . 0.0 113.411 -174.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -153.1 8.26 0.41 Allowed 'General case' 3 N--CA 1.578 5.961 0 C-N-CA 127.955 2.502 . . . . 0.0 115.144 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.67 143.79 44.48 Favored Pre-proline 3 CA--C 1.654 4.972 0 N-CA-C 117.568 2.433 . . . . 0.0 117.568 -168.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -72.83 -15.36 26.64 Favored 'Trans proline' 3 C--N 1.566 12.003 0 C-N-CA 124.645 3.563 . . . . 0.0 119.723 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.6 p -76.52 138.04 39.98 Favored 'General case' 2 N--CA 1.567 5.391 0 C-N-CA 126.753 2.021 . . . . 0.0 116.271 -174.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 1.585 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.254 0.5 OUTLIER -99.66 129.23 50.54 Favored 'Isoleucine or valine' 3 C--N 1.446 4.762 0 C-N-CA 126.024 1.729 . . . . 0.0 109.916 -179.427 . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -132.66 156.83 46.25 Favored 'General case' 2 N--CA 1.549 4.508 0 C-N-CA 128.227 2.611 . . . . 0.0 111.457 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.476 ' HB ' ' HA ' ' A' ' 57' ' ' VAL . 1.8 mm -84.23 144.61 9.53 Favored 'Isoleucine or valine' 2 C--N 1.463 5.514 0 C-N-CA 125.86 1.664 . . . . 0.0 109.491 169.293 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.542 ' HG1' HG13 ' B' ' 6' ' ' ILE 0.274 2.6 p -146.01 -28.39 0.42 Allowed 'General case' 1 N--CA 1.558 4.93 0 C-N-CA 127.667 2.387 . . . . 0.0 113.273 -177.804 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.547 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.273 51.9 tptt -121.58 127.26 50.73 Favored 'General case' 1 C--N 1.463 5.519 0 C-N-CA 124.573 1.149 . . . . 0.0 113.1 177.853 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.624 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 42.9 mm -126.64 125.56 67.28 Favored 'Isoleucine or valine' 0 C--N 1.412 3.322 0 C-N-CA 127.442 2.297 . . . . 0.0 108.133 171.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.566 ' CA ' ' CB ' ' A' ' 44' ' ' ILE 0.29 2.9 mp -81.4 127.72 72.5 Favored Pre-proline 2 CA--C 1.681 5.999 0 C-N-CA 127.246 2.219 . . . . 0.0 110.424 172.461 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -62.86 -21.75 73.34 Favored 'Trans proline' 3 C--N 1.541 10.683 0 C-N-CA 124.347 3.364 . . . . 0.0 117.74 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.48 36.74 2.4 Favored Glycine 1 C--N 1.428 5.664 0 CA-C-O 117.941 -1.477 . . . . 0.0 116.221 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.79 -178.75 40.66 Favored Glycine 3 C--N 1.447 6.736 0 C-N-CA 124.971 1.272 . . . . 0.0 116.005 173.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.13 -37.57 28.64 Favored 'General case' 0 N--CA 1.535 3.795 0 C-N-CA 128.584 2.753 . . . . 0.0 115.616 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.65 -19.5 41.59 Favored 'General case' 2 N--CA 1.562 5.161 0 C-N-CA 126.816 2.047 . . . . 0.0 116.269 176.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.64 -42.13 12.2 Favored 'General case' 1 C--N 1.442 4.63 0 C-N-CA 127.46 2.304 . . . . 0.0 113.543 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.33 -55.48 3.58 Favored 'General case' 2 C--N 1.452 5.027 0 C-N-CA 126.849 2.06 . . . . 0.0 114.09 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.23 -24.16 19.97 Favored 'General case' 2 C--N 1.457 5.254 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -178.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.44 -43.15 5.31 Favored Glycine 2 C--N 1.439 6.289 0 N-CA-C 117.602 1.801 . . . . 0.0 117.602 -174.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.429 95.1 mtt180 90.27 10.96 0.06 Allowed 'General case' 2 N--CA 1.603 7.177 0 C-N-CA 130.384 3.474 . . . . 0.0 116.244 179.828 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.42 125.25 32.85 Favored 'General case' 1 C--N 1.436 4.368 0 C-N-CA 126.83 2.052 . . . . 0.0 113.905 179.311 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -111.66 161.32 16.37 Favored 'General case' 0 N--CA 1.533 3.677 0 C-N-CA 128.624 2.77 . . . . 0.0 111.175 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.568 HG13 HG12 ' A' ' 43' ' ' ILE 0.29 4.2 m -51.41 -30.62 10.88 Favored 'Isoleucine or valine' 2 N--CA 1.626 8.366 0 C-N-CA 128.116 2.567 . . . . 0.0 116.438 176.196 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.276 3.2 p-10 -90.09 7.79 36.02 Favored 'General case' 1 CA--C 1.652 4.896 0 C-N-CA 128.679 2.792 . . . . 0.0 113.637 -177.931 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.36 -37.4 14.04 Favored 'General case' 2 C--N 1.49 6.693 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 178.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.263 23.2 t 46.76 120.98 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.413 0 C-N-CA 129.517 3.127 . . . . 0.0 116.043 177.247 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 mt -86.47 125.37 40.75 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.936 0 C-N-CA 124.761 1.224 . . . . 0.0 109.628 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.253 1.4 pt? -93.54 -45.27 7.82 Favored 'General case' 0 C--N 1.424 3.815 0 O-C-N 125.395 1.684 . . . . 0.0 112.151 169.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -130.6 130.1 43.59 Favored 'General case' 1 C--N 1.447 4.838 0 O-C-N 125.126 1.517 . . . . 0.0 113.403 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.462 HG12 HD21 ' A' ' 81' ' ' LEU 0.338 0.1 OUTLIER -120.92 132.51 70.22 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.681 0 O-C-N 123.435 0.459 . . . . 0.0 109.852 176.697 . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 72.58 1.48 4.0 Favored 'General case' 3 N--CA 1.612 7.635 0 C-N-CA 129.961 3.304 . . . . 0.0 112.23 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.388 47.4 mt-10 89.17 5.51 0.15 Allowed 'General case' 3 N--CA 1.585 6.302 0 C-N-CA 131.013 3.725 . . . . 0.0 112.076 -160.635 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.386 3.3 m -85.75 153.24 3.5 Favored 'Isoleucine or valine' 1 C--N 1.471 5.871 0 C-N-CA 127.565 2.346 . . . . 0.0 113.15 -179.721 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.444 4.4 p-10 -86.98 93.1 9.25 Favored 'General case' 0 C--N 1.399 2.722 0 O-C-N 126.237 2.211 . . . . 0.0 114.337 -174.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.416 HG11 HG12 ' A' ' 38' ' ' ILE 0.345 1.0 OUTLIER -92.29 -7.45 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.626 3.888 0 C-N-CA 127.81 2.444 . . . . 0.0 113.383 179.092 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -62.79 -13.5 34.01 Favored 'General case' 2 CA--C 1.673 5.707 0 C-N-CA 128.277 2.631 . . . . 0.0 113.835 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -158.96 78.31 0.76 Allowed 'General case' 2 C--N 1.457 5.272 0 C-N-CA 127.597 2.359 . . . . 0.0 108.045 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.255 35.1 m -145.54 163.33 11.69 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.571 0 C-N-CA 127.69 2.396 . . . . 0.0 110.745 178.999 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.47 163.46 26.32 Favored 'General case' 1 N--CA 1.56 5.06 0 C-N-CA 126.475 1.91 . . . . 0.0 112.065 165.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -47.25 -58.16 4.4 Favored 'General case' 4 N--CA 1.578 5.949 0 C-N-CA 129.214 3.006 . . . . 0.0 112.792 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.4 t -63.49 -30.55 71.65 Favored 'General case' 2 C--N 1.455 5.16 0 C-N-CA 126.571 1.948 . . . . 0.0 112.712 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.74 -22.37 58.84 Favored 'General case' 1 C--N 1.458 5.309 0 C-N-CA 128.371 2.668 . . . . 0.0 114.012 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.1 -29.06 18.58 Favored 'General case' 1 C--N 1.469 5.788 0 C-N-CA 125.719 1.608 . . . . 0.0 112.788 172.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.8 t -72.41 -38.84 61.82 Favored 'Isoleucine or valine' 3 N--CA 1.605 7.325 0 C-N-CA 127.152 2.181 . . . . 0.0 110.213 170.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -57.3 -24.57 55.8 Favored 'General case' 2 N--CA 1.561 5.106 0 C-N-CA 129.275 3.03 . . . . 0.0 115.67 176.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.95 -27.59 57.6 Favored 'General case' 1 C--N 1.432 4.178 0 C-N-CA 127.377 2.271 . . . . 0.0 111.584 176.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.462 HD21 HG12 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -92.95 -35.24 13.41 Favored 'General case' 1 C--N 1.442 4.605 0 C-N-CA 129.584 3.154 . . . . 0.0 112.92 -178.787 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -84.38 -28.71 26.78 Favored 'General case' 1 C--N 1.431 4.134 0 C-N-CA 127.441 2.297 . . . . 0.0 114.148 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.376 9.4 pt-20 -69.06 -43.68 74.12 Favored 'General case' 2 N--CA 1.582 6.14 0 N-CA-C 118.215 2.672 . . . . 0.0 118.215 176.487 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -17.56 64.14 Favored 'General case' 2 C--N 1.451 5.019 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 -174.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.32 -34.94 1.76 Allowed Glycine 1 C--N 1.421 5.271 0 N-CA-C 122.523 3.769 . . . . 0.0 122.523 168.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 t -151.84 -36.84 0.12 Allowed 'General case' 0 N--CA 1.531 3.621 0 C-N-CA 127.308 2.243 . . . . 0.0 111.289 -169.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.28 43.0 mm -129.35 122.46 55.82 Favored 'Isoleucine or valine' 2 C--N 1.441 4.544 0 C-N-CA 125.214 1.406 . . . . 0.0 109.548 -179.328 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.399 18.8 m -118.59 121.27 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.97 0 C-N-CA 126.953 2.101 . . . . 0.0 113.038 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.39 13.7 ptm180 -109.17 99.35 8.65 Favored 'General case' 1 N--CA 1.546 4.353 0 C-N-CA 126.054 1.742 . . . . 0.0 113.94 -179.355 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -99.05 139.9 34.01 Favored 'General case' 0 N--CA 1.527 3.399 0 C-N-CA 127.901 2.48 . . . . 0.0 113.742 -176.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -119.01 112.55 19.71 Favored 'General case' 1 C--O 1.312 4.364 0 C-N-CA 126.536 1.934 . . . . 0.0 111.207 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.5 m -106.18 159.1 6.26 Favored 'Isoleucine or valine' 2 N--CA 1.556 4.871 0 O-C-N 127.165 2.791 . . . . 0.0 115.207 -176.444 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 25.5 ptt? -119.79 110.87 17.28 Favored 'General case' 1 N--CA 1.556 4.857 0 C-N-CA 127.792 2.437 . . . . 0.0 113.709 -176.759 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -117.69 146.87 43.42 Favored 'General case' 0 CA--C 1.623 3.763 0 C-N-CA 127.382 2.273 . . . . 0.0 109.057 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -99.19 144.27 28.51 Favored 'General case' 1 N--CA 1.554 4.741 0 C-N-CA 126.926 2.09 . . . . 0.0 114.291 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -64.82 131.11 95.07 Favored Pre-proline 3 N--CA 1.571 5.601 0 C-N-CA 127.802 2.441 . . . . 0.0 116.408 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -62.93 -35.76 64.68 Favored 'Trans proline' 3 C--N 1.555 11.411 0 C-N-CA 124.694 3.596 . . . . 0.0 120.235 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -41.59 -35.21 2.46 Favored 'Trans proline' 3 C--N 1.574 12.407 1 C-N-CA 125.532 4.155 . . . . 0.0 120.717 -176.864 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . 0.383 . . . . . . . 2 N--CA 1.58 6.06 0 C-N-CA 129.394 3.078 . . . . 0.0 117.315 178.71 . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.429 9.8 p . . . . . 0 CA--C 1.599 2.834 0 CA-C-O 121.977 0.894 . . . . 0.0 112.129 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.288 13.0 p -99.01 -15.25 7.48 Favored 'Isoleucine or valine' 1 CA--C 1.663 5.323 0 C-N-CA 128.83 2.852 . . . . 0.0 117.122 -164.333 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -103.13 -32.16 9.79 Favored 'General case' 2 N--CA 1.573 5.7 0 N-CA-C 119.335 3.087 . . . . 0.0 119.335 -165.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.02 176.05 5.18 Favored 'General case' 2 CA--C 1.645 4.603 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -169.585 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.295 0.4 OUTLIER -104.52 -40.12 6.16 Favored 'General case' 1 C--N 1.436 4.339 0 C-N-CA 127.293 2.237 . . . . 0.0 114.202 175.007 . . . . . . . . 4 3 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.542 HG13 ' HG1' ' A' ' 41' ' ' THR 0.669 0.6 OUTLIER 73.56 80.58 0.05 OUTLIER 'Isoleucine or valine' 2 C--N 1.461 5.436 0 C-N-CA 128.782 2.833 . . . . 0.0 116.348 -179.115 . . . . . . . . 5 4 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 71.7 m -126.95 6.48 6.59 Favored 'General case' 2 N--CA 1.573 5.706 0 C-N-CA 126.961 2.104 . . . . 0.0 114.854 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.478 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 62.5 m -78.16 -177.36 5.06 Favored 'General case' 3 N--CA 1.561 5.12 0 C-N-CA 127.757 2.423 . . . . 0.0 116.133 -172.797 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 2 C--N 1.452 5.027 0 C-N-CA 126.792 2.037 . . . . 0.0 107.069 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.519 0 CA-C-O 119.529 -0.595 . . . . 0.0 112.883 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.72 128.84 55.22 Favored 'General case' 0 C--N 1.426 3.903 0 C-N-CA 126.508 1.923 . . . . 0.0 112.769 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 45.8 mtt -110.67 127.17 55.18 Favored 'General case' 1 N--CA 1.547 4.386 0 C-N-CA 126.307 1.843 . . . . 0.0 113.671 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.372 10.7 pt-20 -110.55 157.47 19.61 Favored 'General case' 0 N--CA 1.535 3.811 0 C-N-CA 127.074 2.15 . . . . 0.0 115.317 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.279 20.9 ptt? -96.29 148.0 23.2 Favored 'General case' 0 N--CA 1.537 3.911 0 C-N-CA 127.868 2.467 . . . . 0.0 114.052 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.387 10.5 pt-20 -126.11 120.33 29.89 Favored 'General case' 1 N--CA 1.559 4.98 0 C-N-CA 127.099 2.159 . . . . 0.0 113.742 -176.919 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.86 140.88 31.58 Favored 'General case' 1 N--CA 1.552 4.659 0 C-N-CA 125.839 1.656 . . . . 0.0 113.446 -174.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -125.28 129.49 50.12 Favored 'General case' 1 C--N 1.434 4.261 0 O-C-N 124.694 1.246 . . . . 0.0 111.028 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.292 10.9 pt-20 -107.06 111.77 24.39 Favored 'General case' 0 N--CA 1.531 3.577 0 C-N-CA 126.846 2.058 . . . . 0.0 113.202 178.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mt -114.81 135.96 53.0 Favored 'Isoleucine or valine' 2 N--CA 1.552 4.644 0 C-N-CA 125.34 1.456 . . . . 0.0 109.77 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -117.46 121.19 40.36 Favored 'General case' 0 CA--C 1.619 3.616 0 C-N-CA 127.252 2.221 . . . . 0.0 108.264 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.2 mt -113.31 149.28 34.16 Favored 'General case' 0 N--CA 1.531 3.618 0 C-N-CA 127.922 2.489 . . . . 0.0 112.416 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.281 11.4 pt-20 -106.9 126.31 52.14 Favored 'General case' 0 C--N 1.419 3.627 0 C-N-CA 126.024 1.729 . . . . 0.0 109.902 167.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -49.09 111.23 0.45 Allowed 'General case' 1 N--CA 1.563 5.194 0 C-N-CA 129.879 3.272 . . . . 0.0 114.344 -170.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.428 ' H ' HD12 ' A' ' 19' ' ' LEU . . . -65.66 168.48 31.61 Favored Glycine 3 N--CA 1.555 6.61 0 N-CA-C 118.282 2.073 . . . . 0.0 118.282 -177.321 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -73.12 -33.25 65.43 Favored 'General case' 1 N--CA 1.578 5.929 0 C-N-CA 127.21 2.204 . . . . 0.0 114.938 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -99.07 -17.85 18.03 Favored 'General case' 2 C--N 1.429 4.041 0 C-N-CA 127.286 2.235 . . . . 0.0 113.927 174.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.88 60.38 0.42 Allowed Glycine 1 C--N 1.445 6.627 0 C-N-CA 126.212 1.863 . . . . 0.0 110.92 -177.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.428 HD12 ' H ' ' A' ' 15' ' ' GLY 0.554 2.8 mm? 69.84 -89.11 0.03 OUTLIER 'General case' 1 C--N 1.446 4.788 0 C-N-CA 130.182 3.393 . . . . 0.0 115.52 -172.537 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 153.35 39.52 0.02 OUTLIER Glycine 1 C--N 1.4 4.115 0 C-N-CA 125.526 1.536 . . . . 0.0 114.1 -179.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -156.84 168.46 27.38 Favored 'General case' 2 C--N 1.442 4.613 0 C-N-CA 129.071 2.948 . . . . 0.0 108.832 177.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.422 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 67.8 m -135.55 145.42 46.98 Favored 'General case' 1 C--N 1.446 4.788 0 C-N-CA 124.946 1.298 . . . . 0.0 110.586 169.229 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.515 2.3 pp -121.78 126.94 75.29 Favored 'Isoleucine or valine' 2 N--CA 1.572 5.663 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -174.72 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.23 117.05 33.12 Favored 'General case' 1 C--N 1.437 4.378 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.608 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.15 156.44 28.35 Favored Glycine 1 N--CA 1.516 4.022 0 C-N-CA 126.165 1.84 . . . . 0.0 113.068 -174.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.39 150.39 7.9 Favored Glycine 1 C--N 1.401 4.181 0 N-CA-C 118.277 2.071 . . . . 0.0 118.277 -170.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 p -102.57 -41.95 6.09 Favored 'General case' 1 N--CA 1.557 4.903 0 C-N-CA 126.412 1.885 . . . . 0.0 113.087 165.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -102.57 -31.98 10.14 Favored 'General case' 1 C--N 1.433 4.197 0 C-N-CA 126.506 1.922 . . . . 0.0 113.28 177.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -100.41 105.33 35.92 Favored Pre-proline 2 CA--C 1.653 4.927 0 C-N-CA 126.94 2.096 . . . . 0.0 112.45 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.66 169.29 22.7 Favored 'Trans proline' 3 C--N 1.545 10.914 0 C-N-CA 123.943 3.095 . . . . 0.0 117.06 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -125.25 -50.02 1.67 Allowed 'General case' 1 C--N 1.436 4.336 0 C-N-CA 127.042 2.137 . . . . 0.0 111.54 170.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.396 3.4 mm -115.0 4.23 7.7 Favored 'Isoleucine or valine' 2 N--CA 1.547 4.401 0 C-N-CA 127.101 2.16 . . . . 0.0 115.437 -167.835 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.89 59.56 0.56 Allowed Glycine 1 N--CA 1.522 4.431 0 C-N-CA 126.929 2.204 . . . . 0.0 115.843 -176.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.421 9.6 t70 69.48 70.44 0.25 Allowed 'General case' 2 N--CA 1.575 5.779 0 C-N-CA 130.633 3.573 . . . . 0.0 113.532 176.935 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.92 129.68 23.66 Favored Pre-proline 1 CA--C 1.645 4.633 0 C-N-CA 127.343 2.257 . . . . 0.0 114.486 178.007 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.58 -26.02 12.22 Favored 'Trans proline' 3 C--N 1.554 11.349 0 C-N-CA 124.265 3.31 . . . . 0.0 119.062 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.5 p -81.97 146.75 29.58 Favored 'General case' 2 N--CA 1.558 4.939 0 C-N-CA 126.877 2.071 . . . . 0.0 115.514 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.288 0.8 OUTLIER -94.54 113.2 28.58 Favored 'Isoleucine or valine' 3 C--N 1.449 4.924 0 C-N-CA 125.67 1.588 . . . . 0.0 109.081 -178.9 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -119.42 146.84 45.02 Favored 'General case' 0 N--CA 1.538 3.968 0 C-N-CA 129.426 3.09 . . . . 0.0 112.151 -168.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.76 139.88 16.66 Favored 'Isoleucine or valine' 2 C--N 1.45 4.949 0 C-N-CA 125.657 1.583 . . . . 0.0 109.966 175.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -141.3 -35.88 0.46 Allowed 'General case' 0 CA--C 1.619 3.629 0 C-N-CA 127.5 2.32 . . . . 0.0 109.89 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 7.7 tmtm? -125.95 128.69 47.9 Favored 'General case' 1 C--N 1.467 5.678 0 O-C-N 123.977 0.798 . . . . 0.0 111.468 -177.404 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.638 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.276 46.9 mm -124.7 128.5 73.43 Favored 'Isoleucine or valine' 0 C--N 1.415 3.415 0 C-N-CA 126.921 2.089 . . . . 0.0 108.731 174.286 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.293 3.1 mp -83.54 131.58 52.09 Favored Pre-proline 2 CA--C 1.68 5.946 0 C-N-CA 126.547 1.939 . . . . 0.0 110.768 173.317 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.64 -21.59 65.22 Favored 'Trans proline' 3 C--N 1.539 10.592 0 C-N-CA 124.24 3.293 . . . . 0.0 117.654 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.0 40.06 1.7 Allowed Glycine 1 C--N 1.428 5.668 0 CA-C-O 118.112 -1.382 . . . . 0.0 115.899 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.6 -177.54 39.85 Favored Glycine 2 C--N 1.442 6.45 0 C-N-CA 125.382 1.468 . . . . 0.0 116.28 174.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.63 -38.28 29.52 Favored 'General case' 0 N--CA 1.538 3.941 0 C-N-CA 128.946 2.898 . . . . 0.0 115.271 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.51 -25.48 35.91 Favored 'General case' 2 C--N 1.448 4.876 0 C-N-CA 126.944 2.098 . . . . 0.0 115.934 176.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.32 -42.52 17.02 Favored 'General case' 1 C--N 1.446 4.785 0 C-N-CA 127.208 2.203 . . . . 0.0 113.638 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -90.82 -55.29 3.62 Favored 'General case' 1 C--N 1.451 4.988 0 C-N-CA 127.277 2.231 . . . . 0.0 115.131 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.87 -34.35 15.29 Favored 'General case' 1 C--N 1.46 5.407 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -173.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.42 -48.03 4.42 Favored Glycine 2 C--N 1.441 6.381 0 N-CA-C 117.287 1.675 . . . . 0.0 117.287 -174.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.59 97.3 mtt180 87.25 57.71 0.01 OUTLIER 'General case' 2 N--CA 1.572 5.674 0 C-N-CA 130.582 3.553 . . . . 0.0 116.728 -178.943 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp -110.79 132.09 54.49 Favored 'General case' 0 C--N 1.415 3.443 0 C-N-CA 128.075 2.55 . . . . 0.0 111.46 171.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.28 153.99 25.12 Favored 'General case' 0 N--CA 1.526 3.374 0 C-N-CA 127.686 2.394 . . . . 0.0 110.214 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.484 HG22 HG12 ' A' ' 43' ' ' ILE . 4.1 p -57.12 -26.53 25.36 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.142 0 C-N-CA 128.593 2.757 . . . . 0.0 115.952 -179.815 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -91.94 9.56 32.51 Favored 'General case' 1 CA--C 1.673 5.683 0 C-N-CA 129.11 2.964 . . . . 0.0 112.316 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.14 -35.34 18.69 Favored 'General case' 2 C--N 1.489 6.648 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m 47.36 125.01 0.0 OUTLIER 'General case' 2 N--CA 1.591 6.6 0 C-N-CA 129.236 3.014 . . . . 0.0 116.231 178.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -89.57 126.1 42.52 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.94 0 C-N-CA 124.216 1.006 . . . . 0.0 110.197 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.264 1.5 pt? -91.17 -43.94 9.55 Favored 'General case' 1 C--N 1.436 4.353 0 C-N-CA 124.946 1.298 . . . . 0.0 112.347 169.848 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -131.19 132.01 44.41 Favored 'General case' 2 C--N 1.447 4.838 0 O-C-N 125.161 1.538 . . . . 0.0 113.918 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.291 21.6 t -113.73 136.83 48.93 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.108 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.64 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.311 38.4 m-80 74.59 -80.88 0.03 OUTLIER 'General case' 2 N--CA 1.591 6.607 0 C-N-CA 128.737 2.815 . . . . 0.0 111.506 -177.846 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -157.75 8.78 0.16 Allowed 'General case' 1 CA--C 1.639 4.387 1 C-N-CA 134.632 5.173 . . . . 0.0 106.747 170.426 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.371 25.2 m -102.52 156.04 4.97 Favored 'Isoleucine or valine' 1 C--N 1.465 5.588 0 C-N-CA 127.713 2.405 . . . . 0.0 115.339 -167.361 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -85.77 103.33 14.44 Favored 'General case' 0 C--N 1.412 3.292 0 C-N-CA 127.86 2.464 . . . . 0.0 111.469 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.452 29.5 m -97.15 -12.7 8.3 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.046 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 174.561 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.284 16.2 ptm180 -44.3 -27.65 0.45 Allowed 'General case' 2 N--CA 1.585 6.279 0 C-N-CA 129.105 2.962 . . . . 0.0 117.841 179.44 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -149.27 76.41 1.32 Allowed 'General case' 1 C--N 1.439 4.493 0 C-N-CA 129.867 3.267 . . . . 0.0 108.865 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.288 19.4 m -141.06 159.94 23.1 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.473 0 C-N-CA 126.758 2.023 . . . . 0.0 110.596 177.598 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 p -76.84 161.7 28.23 Favored 'General case' 1 N--CA 1.56 5.068 0 C-N-CA 126.4 1.88 . . . . 0.0 112.205 166.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -46.87 -56.61 6.03 Favored 'General case' 3 N--CA 1.576 5.846 0 C-N-CA 129.009 2.924 . . . . 0.0 112.785 174.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m -61.79 -34.18 75.43 Favored 'General case' 2 C--N 1.456 5.206 0 C-N-CA 126.536 1.934 . . . . 0.0 113.503 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.06 -22.34 63.07 Favored 'General case' 1 C--N 1.457 5.243 0 C-N-CA 128.46 2.704 . . . . 0.0 114.236 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -35.78 14.91 Favored 'General case' 1 C--N 1.463 5.54 0 C-N-CA 126.544 1.937 . . . . 0.0 112.728 174.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.37 -40.41 56.45 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.57 0 C-N-CA 127.231 2.213 . . . . 0.0 111.709 177.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.6 mt-10 -63.19 -20.1 65.11 Favored 'General case' 1 N--CA 1.598 6.958 0 C-N-CA 128.271 2.628 . . . . 0.0 115.381 177.329 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.62 -28.81 56.24 Favored 'General case' 1 CA--C 1.636 4.253 0 C-N-CA 126.279 1.831 . . . . 0.0 112.067 167.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mt -92.97 -32.99 14.33 Favored 'General case' 2 C--N 1.46 5.381 0 C-N-CA 126.812 2.045 . . . . 0.0 116.247 178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -86.38 -38.49 17.36 Favored 'General case' 1 N--CA 1.546 4.328 0 C-N-CA 127.044 2.138 . . . . 0.0 114.351 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.255 39.1 mt-10 -90.42 -15.59 30.64 Favored 'General case' 2 N--CA 1.583 6.196 0 N-CA-C 119.737 3.236 . . . . 0.0 119.737 -175.871 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.74 -22.45 46.72 Favored 'General case' 3 N--CA 1.596 6.829 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.03 -34.71 5.27 Favored Glycine 1 C--N 1.43 5.751 0 N-CA-C 119.046 2.378 . . . . 0.0 119.046 166.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.2 p -174.79 -34.56 0.01 OUTLIER 'General case' 1 N--CA 1.562 5.147 0 C-N-CA 128.753 2.821 . . . . 0.0 112.933 -173.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.261 46.0 mm -118.57 121.4 66.93 Favored 'Isoleucine or valine' 0 C--N 1.423 3.762 0 C-N-CA 126.337 1.855 . . . . 0.0 109.019 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.341 17.9 m -127.49 121.12 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.577 0 C-N-CA 127.467 2.307 . . . . 0.0 112.768 179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -108.42 137.15 46.86 Favored 'General case' 0 N--CA 1.538 3.932 0 C-N-CA 126.104 1.762 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 pp -125.05 137.42 54.21 Favored 'General case' 0 N--CA 1.522 3.165 0 C-N-CA 127.855 2.462 . . . . 0.0 112.845 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -117.81 111.6 19.28 Favored 'General case' 0 C--O 1.298 3.634 0 C-N-CA 126.492 1.917 . . . . 0.0 110.606 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 33.3 m -106.71 159.44 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.383 0 O-C-N 126.617 2.448 . . . . 0.0 115.298 -174.748 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.364 0.0 OUTLIER -124.28 109.14 13.0 Favored 'General case' 2 N--CA 1.557 4.882 0 C-N-CA 126.255 1.822 . . . . 0.0 113.429 -178.022 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.328 17.1 ptm180 -129.2 114.19 15.99 Favored 'General case' 1 N--CA 1.559 4.982 0 C-N-CA 126.06 1.744 . . . . 0.0 113.452 179.903 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.318 0.0 OUTLIER -81.03 161.31 24.26 Favored 'General case' 2 N--CA 1.551 4.605 0 C-N-CA 125.381 1.473 . . . . 0.0 114.268 -178.461 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -53.42 148.54 16.8 Favored Pre-proline 2 N--CA 1.587 6.415 0 C-N-CA 128.954 2.901 . . . . 0.0 116.186 -178.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.87 133.57 22.71 Favored 'Trans proline' 3 C--N 1.565 11.966 0 C-N-CA 125.137 3.891 . . . . 0.0 119.551 -171.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -70.43 151.67 65.36 Favored 'Trans proline' 3 C--N 1.555 11.43 0 C-N-CA 124.287 3.325 . . . . 0.0 117.043 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.438 4.434 0 C-N-CA 126.697 1.999 . . . . 0.0 113.031 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.45 12.5 m . . . . . 0 N--CA 1.536 3.856 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.269 11.5 p -107.48 2.23 9.91 Favored 'Isoleucine or valine' 1 CA--C 1.669 5.547 0 C-N-CA 128.169 2.588 . . . . 0.0 110.671 174.033 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -132.11 -24.83 2.07 Favored 'General case' 1 C--N 1.453 5.082 0 C-N-CA 126.993 2.117 . . . . 0.0 112.415 -172.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -119.47 155.04 32.81 Favored 'General case' 2 C--N 1.44 4.501 0 C-N-CA 128.971 2.909 . . . . 0.0 111.785 -173.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.335 6.7 ppt_? -107.41 -35.88 6.65 Favored 'General case' 1 N--CA 1.544 4.267 0 C-N-CA 127.549 2.34 . . . . 0.0 114.592 173.699 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.569 9.8 tt 57.84 89.8 0.04 OUTLIER 'Isoleucine or valine' 3 N--CA 1.571 5.625 0 C-N-CA 130.384 3.474 . . . . 0.0 116.003 179.398 . . . . . . . . 3 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 16.0 t -128.36 31.27 5.05 Favored 'General case' 2 CA--C 1.66 5.184 0 C-N-CA 127.149 2.18 . . . . 0.0 110.86 176.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.404 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 66.8 m -91.5 -176.62 4.57 Favored 'General case' 3 N--CA 1.547 4.378 0 C-N-CA 127.534 2.334 . . . . 0.0 115.271 -172.537 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 2 C--N 1.449 4.913 0 C-N-CA 127.221 2.209 . . . . 0.0 107.323 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.59 0 CA-C-O 119.42 -0.656 . . . . 0.0 112.986 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.19 131.39 55.1 Favored 'General case' 0 C--N 1.427 3.951 0 C-N-CA 126.565 1.946 . . . . 0.0 112.657 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.255 14.6 mmt -111.16 139.51 46.48 Favored 'General case' 2 N--CA 1.54 4.056 0 C-N-CA 125.856 1.663 . . . . 0.0 115.269 179.47 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -121.51 164.89 16.47 Favored 'General case' 1 N--CA 1.554 4.744 0 C-N-CA 127.892 2.477 . . . . 0.0 111.388 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.322 26.1 ptt? -78.67 165.12 24.0 Favored 'General case' 3 N--CA 1.55 4.569 0 C-N-CA 127.386 2.274 . . . . 0.0 114.013 177.432 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.379 11.0 pt-20 -119.82 119.82 34.7 Favored 'General case' 1 N--CA 1.548 4.445 0 C-N-CA 125.516 1.526 . . . . 0.0 114.394 -170.213 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -103.24 143.66 32.35 Favored 'General case' 1 N--CA 1.546 4.337 0 C-N-CA 126.547 1.939 . . . . 0.0 112.921 -177.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -127.59 129.3 47.05 Favored 'General case' 1 C--N 1.433 4.237 0 C-N-CA 124.689 1.196 . . . . 0.0 110.964 -177.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.293 11.6 pt-20 -104.42 111.64 24.37 Favored 'General case' 0 N--CA 1.535 3.807 0 C-N-CA 126.248 1.819 . . . . 0.0 112.4 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mt -115.39 139.8 40.02 Favored 'Isoleucine or valine' 2 N--CA 1.546 4.358 0 C-N-CA 124.977 1.311 . . . . 0.0 109.076 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -119.11 124.64 47.37 Favored 'General case' 1 N--CA 1.542 4.167 0 C-N-CA 126.397 1.879 . . . . 0.0 108.714 176.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -119.93 143.21 48.1 Favored 'General case' 0 N--CA 1.52 3.049 0 C-N-CA 127.524 2.329 . . . . 0.0 112.748 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.277 11.5 pt-20 -102.0 128.58 48.36 Favored 'General case' 0 C--N 1.414 3.375 0 C-N-CA 125.708 1.603 . . . . 0.0 110.33 168.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -55.85 109.31 0.55 Allowed 'General case' 1 N--CA 1.558 4.955 0 C-N-CA 128.079 2.552 . . . . 0.0 113.909 -174.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.23 -166.58 11.06 Favored Glycine 2 N--CA 1.545 5.911 0 N-CA-C 118.493 2.157 . . . . 0.0 118.493 -174.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -84.82 -30.52 24.47 Favored 'General case' 1 N--CA 1.563 5.178 0 C-N-CA 127.144 2.177 . . . . 0.0 114.764 -177.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.3 p -101.07 -20.94 15.15 Favored 'General case' 1 C--N 1.435 4.322 0 C-N-CA 126.55 1.94 . . . . 0.0 115.897 -178.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.6 42.99 0.91 Allowed Glycine 1 C--N 1.457 7.285 0 C-N-CA 124.573 1.083 . . . . 0.0 111.687 -175.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.502 2.2 mt 77.69 -31.03 0.16 Allowed 'General case' 2 N--CA 1.559 4.982 0 C-N-CA 131.101 3.761 . . . . 0.0 118.312 176.449 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 35.73 4.67 Favored Glycine 2 C--N 1.414 4.906 0 N-CA-C 117.065 1.586 . . . . 0.0 117.065 174.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -156.5 171.96 19.37 Favored 'General case' 1 C--N 1.444 4.682 0 C-N-CA 127.654 2.382 . . . . 0.0 109.578 175.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 75.3 m -137.63 145.67 43.0 Favored 'General case' 1 C--N 1.441 4.557 0 C-N-CA 125.475 1.51 . . . . 0.0 110.757 168.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.488 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.58 2.2 pp -118.52 128.42 75.46 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.12 0 N-CA-C 119.301 3.075 . . . . 0.0 119.301 -175.236 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.565 ' HB3' HD13 ' B' ' 6' ' ' ILE . . . -104.24 117.68 34.81 Favored 'General case' 1 C--N 1.441 4.557 0 CA-C-N 112.904 -1.953 . . . . 0.0 110.673 -177.712 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.72 160.88 31.87 Favored Glycine 1 N--CA 1.518 4.122 0 C-N-CA 125.539 1.543 . . . . 0.0 113.644 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.29 135.07 2.07 Favored Glycine 1 C--N 1.411 4.743 0 N-CA-C 119.645 2.618 . . . . 0.0 119.645 -174.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.279 11.8 p -104.15 -36.06 7.82 Favored 'General case' 1 N--CA 1.553 4.718 0 C-N-CA 125.76 1.624 . . . . 0.0 112.883 162.21 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -107.48 -35.75 6.67 Favored 'General case' 1 C--N 1.436 4.362 0 C-N-CA 125.453 1.501 . . . . 0.0 113.164 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.44 120.13 55.54 Favored Pre-proline 2 C--N 1.443 4.655 0 C-N-CA 127.055 2.142 . . . . 0.0 113.79 -178.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -72.22 161.3 44.91 Favored 'Trans proline' 3 C--N 1.547 11.009 0 C-N-CA 123.762 2.974 . . . . 0.0 117.688 177.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -112.4 -59.14 2.04 Favored 'General case' 1 CA--C 1.631 4.059 0 C-N-CA 127.871 2.468 . . . . 0.0 111.299 171.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.293 2.5 tp -124.88 14.01 4.55 Favored 'Isoleucine or valine' 1 CA--C 1.663 5.316 0 C-N-CA 127.717 2.407 . . . . 0.0 112.516 -166.416 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.97 60.06 0.76 Allowed Glycine 1 C--N 1.404 4.32 0 C-N-CA 127.279 2.371 . . . . 0.0 114.107 -175.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.457 7.7 m-20 69.74 76.26 0.22 Allowed 'General case' 2 N--CA 1.56 5.066 0 C-N-CA 130.208 3.403 . . . . 0.0 115.438 -179.03 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -100.16 124.72 42.26 Favored Pre-proline 1 CA--C 1.678 5.888 0 CA-C-N 112.392 -2.185 . . . . 0.0 111.865 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.66 -32.41 4.69 Favored 'Trans proline' 3 C--N 1.55 11.144 0 C-N-CA 124.034 3.156 . . . . 0.0 118.523 178.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p -92.78 152.18 19.61 Favored 'General case' 2 N--CA 1.553 4.689 0 C-N-CA 126.898 2.079 . . . . 0.0 114.554 -176.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.291 0.5 OUTLIER -93.66 118.98 40.75 Favored 'Isoleucine or valine' 2 C--N 1.451 5.017 0 C-N-CA 125.551 1.54 . . . . 0.0 109.697 -177.957 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -129.19 150.15 50.69 Favored 'General case' 0 N--CA 1.529 3.503 0 C-N-CA 129.283 3.033 . . . . 0.0 111.463 -170.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.544 ' HB ' ' HA ' ' A' ' 57' ' ' VAL . 1.3 mm -87.36 144.21 9.73 Favored 'Isoleucine or valine' 2 N--CA 1.551 4.604 0 C-N-CA 126.168 1.787 . . . . 0.0 110.101 175.219 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.372 10.5 p -147.77 -26.14 0.36 Allowed 'General case' 1 N--CA 1.556 4.844 0 C-N-CA 127.453 2.301 . . . . 0.0 114.207 178.857 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -121.68 124.16 43.61 Favored 'General case' 1 C--N 1.476 6.082 0 CA-C-N 118.514 0.597 . . . . 0.0 111.371 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.638 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.275 42.5 mm -123.38 129.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.412 3.296 0 C-N-CA 127.101 2.16 . . . . 0.0 108.238 173.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.286 3.2 mp -85.67 129.7 53.79 Favored Pre-proline 1 CA--C 1.682 6.039 0 C-N-CA 126.239 1.816 . . . . 0.0 109.892 173.102 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.88 -20.69 72.01 Favored 'Trans proline' 3 C--N 1.537 10.477 0 C-N-CA 124.449 3.433 . . . . 0.0 118.002 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.6 37.67 2.2 Favored Glycine 1 C--N 1.43 5.77 0 CA-C-O 117.889 -1.506 . . . . 0.0 116.581 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.13 -179.01 40.11 Favored Glycine 3 C--N 1.443 6.519 0 C-N-CA 124.923 1.249 . . . . 0.0 116.01 172.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.11 -37.41 28.96 Favored 'General case' 0 N--CA 1.538 3.959 0 C-N-CA 128.732 2.813 . . . . 0.0 115.533 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.4 -23.03 37.86 Favored 'General case' 2 C--N 1.445 4.729 0 C-N-CA 127.368 2.267 . . . . 0.0 115.659 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.79 -42.45 14.18 Favored 'General case' 1 C--N 1.446 4.801 0 C-N-CA 127.359 2.264 . . . . 0.0 113.586 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -90.81 -55.51 3.54 Favored 'General case' 1 C--N 1.449 4.913 0 C-N-CA 127.136 2.174 . . . . 0.0 114.805 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.91 -32.24 16.08 Favored 'General case' 1 C--N 1.459 5.336 0 N-CA-C 117.363 2.357 . . . . 0.0 117.363 -174.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.46 -48.84 4.12 Favored Glycine 2 C--N 1.443 6.478 0 N-CA-C 117.642 1.817 . . . . 0.0 117.642 -174.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.538 79.0 mtp180 88.05 55.92 0.01 OUTLIER 'General case' 2 N--CA 1.579 5.997 0 C-N-CA 130.52 3.528 . . . . 0.0 116.043 -178.546 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tp -110.78 132.8 53.89 Favored 'General case' 0 C--N 1.421 3.675 0 C-N-CA 127.978 2.511 . . . . 0.0 111.643 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . 0.267 40.8 ptt180 -112.21 164.62 12.99 Favored 'General case' 0 CA--C 1.613 3.391 0 C-N-CA 127.487 2.315 . . . . 0.0 112.49 172.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.558 HG12 HG12 ' A' ' 43' ' ' ILE 0.276 3.2 m -57.02 -30.5 34.19 Favored 'Isoleucine or valine' 1 N--CA 1.62 8.034 0 C-N-CA 127.208 2.203 . . . . 0.0 114.771 168.098 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -90.85 -0.91 57.85 Favored 'General case' 1 CA--C 1.664 5.338 0 C-N-CA 129.231 3.012 . . . . 0.0 111.669 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.279 1.5 m-20 -77.14 -39.12 50.4 Favored 'General case' 2 C--N 1.51 7.572 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 175.277 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t 45.63 117.44 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.752 0 C-N-CA 129.362 3.065 . . . . 0.0 115.486 177.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.472 HG23 HG23 ' A' ' 64' ' ' VAL . 4.2 mt -85.57 128.29 39.31 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.175 0 C-N-CA 124.735 1.214 . . . . 0.0 110.488 -175.476 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.262 1.3 pt? -94.33 -43.03 8.6 Favored 'General case' 0 C--N 1.425 3.854 0 O-C-N 125.091 1.494 . . . . 0.0 112.913 169.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.44 120.37 22.92 Favored 'General case' 1 C--N 1.447 4.823 0 O-C-N 124.925 1.391 . . . . 0.0 112.97 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.538 ' O ' HG23 ' A' ' 67' ' ' VAL 0.369 7.5 p -120.58 129.0 76.08 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.384 0 O-C-N 123.724 0.64 . . . . 0.0 112.615 -176.21 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 t30 74.55 3.91 4.34 Favored 'General case' 3 N--CA 1.627 8.392 0 C-N-CA 128.903 2.881 . . . . 0.0 110.981 -170.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.325 21.2 tt0 82.13 19.67 0.32 Allowed 'General case' 3 CA--C 1.674 5.713 1 C-N-CA 131.891 4.076 . . . . 0.0 109.954 -162.57 . . . . . . . . 4 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 64' ' ' VAL 0.357 5.4 m -94.92 154.05 3.42 Favored 'Isoleucine or valine' 1 C--N 1.477 6.132 0 C-N-CA 126.266 1.827 . . . . 0.0 112.921 -178.523 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.435 4.4 p-10 -83.13 93.09 7.56 Favored 'General case' 0 C--N 1.406 3.061 0 O-C-N 126.152 2.157 . . . . 0.0 114.54 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.468 27.7 m -94.85 -3.49 10.61 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.065 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 178.468 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -47.85 -27.66 2.2 Favored 'General case' 2 N--CA 1.595 6.807 0 C-N-CA 128.47 2.708 . . . . 0.0 116.341 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -150.87 81.7 1.33 Allowed 'General case' 1 C--N 1.452 5.05 0 C-N-CA 130.149 3.38 . . . . 0.0 109.305 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 1.578 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.271 22.1 m -141.94 169.03 14.22 Favored 'Isoleucine or valine' 1 N--CA 1.57 5.533 0 C-N-CA 126.316 1.846 . . . . 0.0 109.588 175.337 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 p -81.69 164.53 21.72 Favored 'General case' 1 N--CA 1.564 5.228 0 C-N-CA 127.957 2.503 . . . . 0.0 110.115 167.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.267 56.6 p-80 -53.02 -50.33 64.46 Favored 'General case' 3 N--CA 1.601 7.083 0 C-N-CA 125.102 1.361 . . . . 0.0 113.325 177.763 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.9 t -60.3 -31.3 70.14 Favored 'General case' 1 C--N 1.444 4.685 0 C-N-CA 127.639 2.375 . . . . 0.0 113.31 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.92 -20.05 50.29 Favored 'General case' 1 C--N 1.479 6.204 0 C-N-CA 126.885 2.074 . . . . 0.0 112.898 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.41 -33.41 19.1 Favored 'General case' 1 C--N 1.466 5.672 0 C-N-CA 126.71 2.004 . . . . 0.0 112.508 170.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.12 -39.28 73.82 Favored 'Isoleucine or valine' 3 N--CA 1.599 7.018 0 C-N-CA 127.725 2.41 . . . . 0.0 111.483 175.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.13 -13.77 50.35 Favored 'General case' 1 N--CA 1.592 6.67 0 C-N-CA 129.957 3.303 . . . . 0.0 115.347 175.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.99 -29.38 25.08 Favored 'General case' 0 CA--C 1.627 3.914 0 C-N-CA 126.79 2.036 . . . . 0.0 112.336 165.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.481 ' HA ' HG11 ' A' ' 88' ' ' VAL . 2.1 mt -92.37 -32.8 14.83 Favored 'General case' 2 C--N 1.462 5.48 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -90.35 -35.91 14.95 Favored 'General case' 1 N--CA 1.547 4.383 0 C-N-CA 126.958 2.103 . . . . 0.0 113.998 -174.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -78.88 -26.06 43.89 Favored 'General case' 2 CA--C 1.636 4.262 0 C-N-CA 128.414 2.685 . . . . 0.0 116.73 -178.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.07 -23.21 64.93 Favored 'General case' 2 C--N 1.464 5.546 0 CA-C-N 119.491 1.041 . . . . 0.0 113.747 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.23 -34.69 3.03 Favored Glycine 1 C--N 1.426 5.551 0 N-CA-C 121.747 3.459 . . . . 0.0 121.747 168.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.6 t -153.93 -34.39 0.11 Allowed 'General case' 0 N--CA 1.532 3.642 0 C-N-CA 127.044 2.138 . . . . 0.0 111.996 -169.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.295 39.1 mm -128.99 110.0 19.94 Favored 'Isoleucine or valine' 2 C--N 1.442 4.608 0 C-N-CA 125.008 1.323 . . . . 0.0 109.555 -175.302 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.274 0.0 OUTLIER -119.98 126.21 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.47 0 O-C-N 125.747 1.904 . . . . 0.0 113.569 -179.402 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.368 38.2 ptt180 -113.88 106.37 14.37 Favored 'General case' 1 N--CA 1.561 5.105 0 C-N-CA 126.143 1.777 . . . . 0.0 114.91 -176.587 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.8 140.54 34.94 Favored 'General case' 0 N--CA 1.533 3.687 0 C-N-CA 127.103 2.161 . . . . 0.0 114.389 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.87 111.16 17.19 Favored 'General case' 0 C--O 1.298 3.651 0 C-N-CA 126.587 1.955 . . . . 0.0 111.049 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 33.5 m -106.51 161.23 5.77 Favored 'Isoleucine or valine' 2 N--CA 1.57 5.535 0 O-C-N 126.659 2.474 . . . . 0.0 115.577 -175.038 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.277 19.0 ptp -120.78 122.06 39.53 Favored 'General case' 1 N--CA 1.57 5.556 0 C-N-CA 127.525 2.33 . . . . 0.0 114.087 -176.095 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -124.09 144.57 49.79 Favored 'General case' 0 N--CA 1.538 3.945 0 C-N-CA 127.659 2.384 . . . . 0.0 110.651 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -84.76 142.22 29.97 Favored 'General case' 1 N--CA 1.549 4.524 0 C-N-CA 127.07 2.148 . . . . 0.0 114.732 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.29 51.9 pttt -56.11 128.77 72.54 Favored Pre-proline 2 CA--C 1.674 5.743 0 C-N-CA 128.973 2.909 . . . . 0.0 117.098 -178.915 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.61 150.52 69.23 Favored 'Trans proline' 3 C--N 1.55 11.181 0 C-N-CA 124.044 3.162 . . . . 0.0 117.041 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -68.48 139.44 45.02 Favored 'Trans proline' 3 C--N 1.554 11.377 0 C-N-CA 124.008 3.139 . . . . 0.0 116.745 177.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.432 4.178 0 C-N-CA 126.551 1.94 . . . . 0.0 112.861 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.473 15.8 m . . . . . 0 N--CA 1.531 3.607 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.478 7.8 p -138.58 89.96 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.955 0 CA-C-N 112.423 -2.171 . . . . 0.0 109.732 167.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -91.94 41.73 1.08 Allowed 'General case' 2 N--CA 1.559 4.99 0 C-N-CA 128.205 2.602 . . . . 0.0 113.08 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -89.48 138.42 31.47 Favored 'General case' 1 C--N 1.43 4.109 0 C-N-CA 129.07 2.948 . . . . 0.0 113.905 -170.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.331 17.1 ptm180 -114.17 -37.47 4.41 Favored 'General case' 0 N--CA 1.532 3.644 0 C-N-CA 127.541 2.336 . . . . 0.0 111.608 167.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 1.598 ' CA ' ' CB ' ' B' ' 6' ' ' ILE 0.705 6.6 tp 59.7 -58.26 0.14 Allowed 'Isoleucine or valine' 2 N--CA 1.572 5.665 0 C-N-CA 130.771 3.628 . . . . 0.0 119.167 174.177 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.291 67.6 m -40.25 82.89 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.705 0 C-N-CA 128.615 2.766 . . . . 0.0 117.5 -172.621 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.488 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 69.7 m -132.0 -161.75 1.16 Allowed 'General case' 1 CA--C 1.635 4.243 0 C-N-CA 128.781 2.832 . . . . 0.0 111.284 -174.687 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 C--N 1.445 4.725 0 C-N-CA 126.76 2.024 . . . . 0.0 108.5 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 CA-C-O 119.523 -0.598 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.34 143.87 39.93 Favored 'General case' 1 N--CA 1.539 4.005 0 C-N-CA 126.52 1.928 . . . . 0.0 113.581 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.37 26.5 ptt? -102.42 165.25 11.21 Favored 'General case' 2 CA--C 1.634 4.197 0 C-N-CA 125.989 1.715 . . . . 0.0 113.319 173.768 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -120.2 177.75 4.9 Favored 'General case' 1 N--CA 1.552 4.629 0 C-N-CA 129.16 2.984 . . . . 0.0 111.107 -174.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.346 26.2 ptt? -71.79 157.8 37.25 Favored 'General case' 3 C--N 1.449 4.921 0 C-N-CA 126.906 2.082 . . . . 0.0 114.87 179.823 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.372 10.8 pt-20 -116.12 120.17 38.18 Favored 'General case' 1 N--CA 1.546 4.37 0 C-N-CA 126.171 1.788 . . . . 0.0 114.562 -169.277 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -104.03 141.24 36.54 Favored 'General case' 1 N--CA 1.542 4.146 0 C-N-CA 126.186 1.794 . . . . 0.0 112.833 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -126.79 127.35 44.89 Favored 'General case' 1 C--N 1.428 4.021 0 O-C-N 124.617 1.198 . . . . 0.0 111.353 -176.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.304 11.4 pt-20 -103.62 109.94 21.81 Favored 'General case' 0 C--N 1.42 3.654 0 C-N-CA 126.33 1.852 . . . . 0.0 112.514 174.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 mt -112.36 138.66 40.56 Favored 'Isoleucine or valine' 2 N--CA 1.551 4.602 0 C-N-CA 125.116 1.366 . . . . 0.0 109.424 -178.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -119.53 123.68 44.57 Favored 'General case' 1 N--CA 1.54 4.041 0 C-N-CA 126.433 1.893 . . . . 0.0 108.811 176.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -113.77 148.99 35.53 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 128.123 2.569 . . . . 0.0 113.783 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -106.29 125.59 51.18 Favored 'General case' 0 N--CA 1.535 3.803 0 C-N-CA 126.96 2.104 . . . . 0.0 106.645 168.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -50.97 114.75 1.26 Allowed 'General case' 1 N--CA 1.566 5.356 0 C-N-CA 129.39 3.076 . . . . 0.0 113.298 -175.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.29 169.03 10.64 Favored Glycine 3 N--CA 1.56 6.924 0 N-CA-C 118.587 2.195 . . . . 0.0 118.587 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.53 -33.29 73.85 Favored 'General case' 1 N--CA 1.58 6.041 0 C-N-CA 127.381 2.272 . . . . 0.0 115.205 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.1 p -103.09 -16.82 15.65 Favored 'General case' 2 CA--C 1.631 4.065 0 C-N-CA 127.381 2.272 . . . . 0.0 113.796 174.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.24 60.61 0.44 Allowed Glycine 1 C--N 1.447 6.733 0 C-N-CA 126.29 1.9 . . . . 0.0 111.294 -176.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.482 2.7 mm? 66.34 -67.46 0.15 Allowed 'General case' 2 C--N 1.449 4.931 0 C-N-CA 130.31 3.444 . . . . 0.0 116.466 -174.31 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.23 -70.94 0.3 Allowed Glycine 1 C--N 1.429 5.723 0 C-N-CA 125.52 1.533 . . . . 0.0 111.434 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -58.96 167.01 1.76 Allowed 'General case' 1 N--CA 1.566 5.328 0 C-N-CA 131.7 4.0 . . . . 0.0 112.8 -165.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.553 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.3 m -129.94 136.28 49.29 Favored 'General case' 1 C--N 1.435 4.322 0 CA-C-N 119.312 0.96 . . . . 0.0 112.547 175.002 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.641 2.3 pp -116.59 124.72 73.04 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.084 0 N-CA-C 119.648 3.203 . . . . 0.0 119.648 -176.927 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.65 118.4 36.7 Favored 'General case' 1 C--N 1.435 4.325 0 CA-C-N 112.993 -1.912 . . . . 0.0 111.795 -177.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.85 163.1 28.6 Favored Glycine 0 C--O 1.29 3.648 0 CA-C-N 113.677 -1.601 . . . . 0.0 114.186 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.44 123.93 0.82 Allowed Glycine 1 C--N 1.412 4.762 0 N-CA-C 119.848 2.699 . . . . 0.0 119.848 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 11.8 p -99.9 -31.13 11.64 Favored 'General case' 1 N--CA 1.553 4.701 0 C-N-CA 125.579 1.551 . . . . 0.0 112.241 159.431 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -112.75 -36.08 5.28 Favored 'General case' 1 C--N 1.439 4.485 0 C-N-CA 125.405 1.482 . . . . 0.0 113.338 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -101.53 115.59 64.76 Favored Pre-proline 2 C--N 1.445 4.743 0 C-N-CA 126.785 2.034 . . . . 0.0 114.775 -175.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.423 ' HB3' ' H ' ' A' ' 34' ' ' ASP . 4.1 Cg_exo -73.75 166.67 29.16 Favored 'Trans proline' 3 C--N 1.546 10.921 0 C-N-CA 124.02 3.147 . . . . 0.0 116.989 174.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.436 ' HE2' HG22 ' A' ' 41' ' ' THR . 74.5 t60 -125.53 -44.18 1.85 Allowed 'General case' 1 C--N 1.44 4.522 0 C-N-CA 126.891 2.076 . . . . 0.0 111.648 171.688 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.294 4.0 tp -113.92 -27.97 2.55 Favored 'Isoleucine or valine' 1 CA--C 1.653 4.927 0 C-N-CA 127.426 2.291 . . . . 0.0 112.902 -170.743 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.39 68.4 0.05 OUTLIER Glycine 0 C--N 1.391 3.61 0 C-N-CA 127.967 2.698 . . . . 0.0 112.633 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' H ' ' HB3' ' A' ' 30' ' ' PRO 0.467 8.5 m-20 65.34 76.77 0.32 Allowed 'General case' 2 N--CA 1.563 5.175 0 C-N-CA 130.563 3.545 . . . . 0.0 115.335 -177.805 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -100.11 121.8 52.6 Favored Pre-proline 1 CA--C 1.68 5.956 0 C-N-CA 126.914 2.086 . . . . 0.0 111.931 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.97 -32.97 2.99 Favored 'Trans proline' 3 C--N 1.552 11.253 0 C-N-CA 123.971 3.114 . . . . 0.0 118.732 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -94.23 153.81 17.87 Favored 'General case' 2 C--N 1.443 4.657 0 C-N-CA 126.814 2.046 . . . . 0.0 112.785 -175.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.447 HG12 HG11 ' A' ' 69' ' ' VAL 0.302 0.7 OUTLIER -92.85 116.07 33.12 Favored 'Isoleucine or valine' 3 C--N 1.451 4.985 0 C-N-CA 125.498 1.519 . . . . 0.0 109.799 -178.474 . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -122.38 147.94 45.67 Favored 'General case' 0 N--CA 1.538 3.955 0 C-N-CA 129.742 3.217 . . . . 0.0 111.846 -169.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.49 142.52 12.8 Favored 'Isoleucine or valine' 2 C--N 1.45 4.951 0 C-N-CA 125.517 1.527 . . . . 0.0 109.819 174.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.436 HG22 ' HE2' ' A' ' 31' ' ' HIS 0.3 17.8 p -144.32 -27.15 0.51 Allowed 'General case' 1 N--CA 1.557 4.893 0 C-N-CA 127.182 2.193 . . . . 0.0 113.206 -178.867 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.292 48.4 tptt -122.68 123.7 41.72 Favored 'General case' 1 C--N 1.468 5.749 0 C-N-CA 123.968 0.907 . . . . 0.0 113.155 178.752 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.46 HG12 HG21 ' A' ' 57' ' ' VAL 0.256 49.7 mm -128.66 129.56 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.669 0 C-N-CA 127.222 2.209 . . . . 0.0 108.154 172.655 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 1.533 ' CA ' ' CB ' ' A' ' 44' ' ' ILE 0.264 1.4 mp -84.96 131.99 47.19 Favored Pre-proline 2 CA--C 1.682 6.044 0 C-N-CA 128.752 2.821 . . . . 0.0 110.349 172.127 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.29 -19.46 62.06 Favored 'Trans proline' 3 C--N 1.541 10.672 0 C-N-CA 123.962 3.108 . . . . 0.0 117.32 176.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.84 36.51 2.33 Favored Glycine 1 C--N 1.431 5.81 0 CA-C-O 117.83 -1.539 . . . . 0.0 116.396 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.51 -178.56 42.57 Favored Glycine 3 C--N 1.447 6.729 0 C-N-CA 124.94 1.257 . . . . 0.0 115.813 173.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.0 -38.48 27.44 Favored 'General case' 1 N--CA 1.542 4.151 0 C-N-CA 128.292 2.637 . . . . 0.0 115.478 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.33 -21.96 38.84 Favored 'General case' 2 C--N 1.446 4.802 0 C-N-CA 126.554 1.941 . . . . 0.0 115.879 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.46 -43.24 12.94 Favored 'General case' 1 C--N 1.445 4.728 0 C-N-CA 127.313 2.245 . . . . 0.0 113.65 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -90.69 -54.6 3.91 Favored 'General case' 2 C--N 1.45 4.946 0 C-N-CA 127.169 2.188 . . . . 0.0 114.852 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.65 -31.24 16.71 Favored 'General case' 1 C--N 1.458 5.313 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -174.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.56 -52.61 2.79 Favored Glycine 2 C--N 1.444 6.534 0 N-CA-C 117.069 1.588 . . . . 0.0 117.069 -175.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.577 63.7 mtp180 91.53 55.91 0.0 OUTLIER 'General case' 2 N--CA 1.574 5.755 0 C-N-CA 130.866 3.666 . . . . 0.0 116.505 -178.832 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.76 131.89 54.66 Favored 'General case' 0 C--N 1.418 3.545 0 C-N-CA 128.06 2.544 . . . . 0.0 111.169 170.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.2 152.82 26.64 Favored 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 127.347 2.259 . . . . 0.0 110.581 171.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.46 HG21 HG12 ' A' ' 43' ' ' ILE . 5.7 p -55.4 -28.79 22.8 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.206 0 C-N-CA 128.938 2.895 . . . . 0.0 116.06 179.367 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.291 3.3 p-10 -91.51 8.62 35.6 Favored 'General case' 1 CA--C 1.655 5.007 0 C-N-CA 128.663 2.785 . . . . 0.0 113.829 178.099 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.263 1.6 m-20 -86.18 -31.44 21.76 Favored 'General case' 2 C--N 1.49 6.716 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 -179.22 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.3 m 45.89 119.74 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.735 0 C-N-CA 128.801 2.84 . . . . 0.0 116.451 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.505 HG22 HG11 ' A' ' 64' ' ' VAL 0.252 14.9 mt -84.46 129.78 37.09 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.871 0 C-N-CA 124.869 1.268 . . . . 0.0 110.718 -175.498 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.266 1.6 pt? -95.98 -46.23 6.6 Favored 'General case' 1 C--N 1.431 4.143 0 O-C-N 125.12 1.512 . . . . 0.0 112.327 168.566 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -132.21 136.15 46.82 Favored 'General case' 1 C--N 1.446 4.789 0 O-C-N 124.986 1.429 . . . . 0.0 113.035 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.505 HG11 HG22 ' A' ' 61' ' ' ILE 0.459 1.4 m -121.29 139.45 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.638 0 C-N-CA 124.382 1.073 . . . . 0.0 111.958 172.433 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 70.13 -1.4 2.44 Favored 'General case' 2 N--CA 1.594 6.731 0 C-N-CA 128.216 2.607 . . . . 0.0 115.191 177.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.418 46.2 mt-10 89.11 8.2 0.11 Allowed 'General case' 3 N--CA 1.586 6.355 0 C-N-CA 131.135 3.774 . . . . 0.0 112.44 -161.012 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.383 30.1 m -97.24 152.33 4.03 Favored 'Isoleucine or valine' 2 C--N 1.458 5.308 0 C-N-CA 127.993 2.517 . . . . 0.0 113.92 179.08 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.473 4.4 p30 -81.85 97.99 8.29 Favored 'General case' 0 C--N 1.412 3.305 0 C-N-CA 127.415 2.286 . . . . 0.0 115.684 -173.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG11 HG12 ' A' ' 38' ' ' ILE 0.373 0.9 OUTLIER -106.61 9.2 9.47 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.138 0 C-N-CA 128.252 2.621 . . . . 0.0 113.197 -178.611 . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -65.1 -23.66 67.21 Favored 'General case' 1 N--CA 1.574 5.757 0 C-N-CA 127.318 2.247 . . . . 0.0 113.843 173.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -154.61 84.95 1.11 Allowed 'General case' 1 C--N 1.458 5.302 0 C-N-CA 129.348 3.059 . . . . 0.0 110.052 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 1.537 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.267 32.6 m -143.68 171.4 8.23 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.212 0 C-N-CA 126.54 1.936 . . . . 0.0 109.236 174.413 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -82.3 162.78 22.15 Favored 'General case' 1 N--CA 1.563 5.224 0 C-N-CA 127.755 2.422 . . . . 0.0 109.634 167.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.281 50.7 p-80 -51.64 -50.67 59.85 Favored 'General case' 4 N--CA 1.605 7.306 0 C-N-CA 124.637 1.175 . . . . 0.0 113.489 178.103 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.1 m -59.13 -31.26 68.79 Favored 'General case' 2 C--N 1.442 4.603 0 C-N-CA 127.814 2.446 . . . . 0.0 114.209 177.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.12 -21.86 49.74 Favored 'General case' 1 C--N 1.475 6.044 0 C-N-CA 126.824 2.049 . . . . 0.0 113.178 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.61 -29.71 17.62 Favored 'General case' 1 C--N 1.469 5.778 0 C-N-CA 126.037 1.735 . . . . 0.0 113.32 171.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.5 t -73.09 -40.19 58.1 Favored 'Isoleucine or valine' 3 N--CA 1.597 6.903 0 C-N-CA 126.877 2.071 . . . . 0.0 111.18 174.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 8.0 mm-40 -67.34 -17.6 64.82 Favored 'General case' 1 N--CA 1.596 6.84 0 C-N-CA 128.544 2.737 . . . . 0.0 115.479 178.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.29 -28.81 47.62 Favored 'General case' 0 CA--C 1.62 3.655 0 C-N-CA 126.845 2.058 . . . . 0.0 111.207 166.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.434 ' HA ' HG23 ' A' ' 88' ' ' VAL 0.346 15.8 mt -92.84 -31.37 15.02 Favored 'General case' 1 C--N 1.471 5.881 0 N-CA-C 117.962 2.578 . . . . 0.0 117.962 -179.739 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -87.7 -34.54 18.36 Favored 'General case' 1 N--CA 1.541 4.123 0 C-N-CA 127.642 2.377 . . . . 0.0 114.037 175.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.292 39.4 mt-10 -86.41 -24.35 25.76 Favored 'General case' 2 N--CA 1.594 6.741 0 N-CA-C 119.965 3.321 . . . . 0.0 119.965 -177.934 . . . . . . . . 4 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.7 -23.32 51.1 Favored 'General case' 3 N--CA 1.594 6.725 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.31 -34.81 5.47 Favored Glycine 1 C--N 1.423 5.382 0 N-CA-C 119.804 2.681 . . . . 0.0 119.804 166.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.4 m -169.8 -34.86 0.02 OUTLIER 'General case' 1 N--CA 1.557 4.908 0 C-N-CA 128.625 2.77 . . . . 0.0 112.439 -171.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.286 24.1 mm -121.52 108.65 22.8 Favored 'Isoleucine or valine' 1 C--N 1.441 4.578 0 C-N-CA 125.86 1.664 . . . . 0.0 108.865 -174.159 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.434 HG23 ' HA ' ' A' ' 81' ' ' LEU 0.315 0.3 OUTLIER -118.93 119.68 61.69 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.561 0 CA-C-N 112.32 -2.218 . . . . 0.0 113.369 -176.46 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.415 34.2 ptt180 -107.96 131.0 55.01 Favored 'General case' 1 N--CA 1.554 4.774 0 C-N-CA 126.524 1.93 . . . . 0.0 114.822 -178.629 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -125.88 141.53 51.94 Favored 'General case' 0 N--CA 1.535 3.803 0 C-N-CA 128.464 2.706 . . . . 0.0 113.731 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -121.98 112.08 17.85 Favored 'General case' 1 C--O 1.315 4.544 0 C-N-CA 126.982 2.113 . . . . 0.0 110.818 177.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 30.1 m -106.59 159.85 6.27 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.382 0 O-C-N 126.818 2.574 . . . . 0.0 114.765 -176.407 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.292 25.7 ptt? -126.17 115.35 19.64 Favored 'General case' 1 N--CA 1.568 5.433 0 C-N-CA 127.734 2.413 . . . . 0.0 114.007 -176.467 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.334 16.7 ptm180 -125.9 125.38 42.7 Favored 'General case' 1 N--CA 1.546 4.337 0 C-N-CA 126.923 2.089 . . . . 0.0 112.271 178.411 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -71.36 150.89 44.62 Favored 'General case' 1 N--CA 1.56 5.04 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 -175.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -61.51 139.27 95.03 Favored Pre-proline 2 CA--C 1.675 5.77 0 C-N-CA 129.722 3.209 . . . . 0.0 115.979 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.94 -41.7 66.03 Favored 'Trans proline' 3 C--N 1.553 11.298 0 C-N-CA 124.435 3.424 . . . . 0.0 119.357 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -68.12 140.27 48.98 Favored 'Trans proline' 3 C--N 1.564 11.904 0 C-N-CA 123.614 2.876 . . . . 0.0 116.934 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.433 4.201 0 C-N-CA 126.643 1.977 . . . . 0.0 112.875 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . 0.47 ' H2 ' ' HB2' ' B' ' 4' ' ' GLU 0.495 12.7 m . . . . . 0 N--CA 1.526 3.351 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.27 4.7 m -110.87 -6.27 11.39 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.314 0 C-N-CA 128.21 2.604 . . . . 0.0 112.309 174.827 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p -142.13 12.9 2.02 Favored 'General case' 2 N--CA 1.562 5.157 0 C-N-CA 127.014 2.126 . . . . 0.0 114.865 -169.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.47 ' HB2' ' H2 ' ' B' ' 1' ' ' VAL . 19.1 tt0 -80.28 134.32 36.07 Favored 'General case' 1 C--N 1.44 4.51 0 C-N-CA 127.46 2.304 . . . . 0.0 115.171 -171.679 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.56 80.03 1.78 Allowed 'General case' 0 C--O 1.297 3.568 0 C-N-CA 128.53 2.732 . . . . 0.0 106.86 163.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.59 1.4 tt -100.83 72.22 0.44 Allowed 'Isoleucine or valine' 2 C--N 1.452 5.041 0 CA-C-O 122.893 1.33 . . . . 0.0 113.892 -179.517 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 17.3 t -107.37 29.94 6.69 Favored 'General case' 2 CA--C 1.662 5.288 0 CA-C-N 111.619 -2.537 . . . . 0.0 110.801 173.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.2 m -98.63 171.64 8.0 Favored 'General case' 1 C--N 1.429 4.037 0 C-N-CA 128.092 2.557 . . . . 0.0 114.911 -171.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 2 N--CA 1.546 4.335 0 C-N-CA 128.077 2.551 . . . . 0.0 104.787 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.547 0 CA-C-O 119.356 -0.691 . . . . 0.0 112.909 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.5 135.19 50.9 Favored 'General case' 0 C--N 1.424 3.82 0 C-N-CA 126.664 1.986 . . . . 0.0 112.908 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -103.39 136.57 42.9 Favored 'General case' 2 N--CA 1.545 4.295 0 C-N-CA 126.137 1.775 . . . . 0.0 113.895 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.381 10.9 pt-20 -114.06 154.83 27.04 Favored 'General case' 0 N--CA 1.537 3.878 0 C-N-CA 126.78 2.032 . . . . 0.0 115.684 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.314 22.3 ptp -74.79 166.42 23.64 Favored 'General case' 2 N--CA 1.551 4.614 0 C-N-CA 127.832 2.453 . . . . 0.0 115.553 -177.679 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.319 10.1 pt-20 -119.86 123.45 43.65 Favored 'General case' 1 N--CA 1.544 4.241 0 C-N-CA 127.425 2.29 . . . . 0.0 112.868 -175.223 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -103.4 143.49 32.63 Favored 'General case' 1 N--CA 1.546 4.343 0 C-N-CA 125.902 1.681 . . . . 0.0 113.656 -176.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -122.74 134.52 54.44 Favored 'General case' 1 N--CA 1.551 4.586 0 C-N-CA 126.041 1.736 . . . . 0.0 113.33 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.309 12.3 pt-20 -110.42 109.72 20.21 Favored 'General case' 0 C--N 1.425 3.869 0 C-N-CA 125.829 1.652 . . . . 0.0 112.131 173.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -112.07 138.22 41.79 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.828 0 C-N-CA 125.165 1.386 . . . . 0.0 109.59 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.417 HG21 ' HB3' ' A' ' 89' ' ' ARG . 2.0 m -116.76 118.88 33.75 Favored 'General case' 0 C--N 1.418 3.577 0 C-N-CA 125.838 1.655 . . . . 0.0 108.434 174.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -108.25 145.93 33.61 Favored 'General case' 0 N--CA 1.521 3.106 0 C-N-CA 127.608 2.363 . . . . 0.0 112.896 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -102.94 125.0 49.52 Favored 'General case' 0 C--N 1.421 3.677 0 C-N-CA 125.769 1.628 . . . . 0.0 107.365 168.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.16 114.64 2.72 Favored 'General case' 1 N--CA 1.561 5.118 0 C-N-CA 128.119 2.568 . . . . 0.0 113.933 -170.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.435 ' H ' HD11 ' A' ' 19' ' ' LEU . . . -69.17 156.9 53.57 Favored Glycine 2 N--CA 1.549 6.221 0 CA-C-N 113.009 -1.905 . . . . 0.0 117.585 -177.667 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.28 30.3 p30 -66.18 -31.92 73.04 Favored 'General case' 1 N--CA 1.576 5.873 0 C-N-CA 127.561 2.344 . . . . 0.0 116.249 -179.223 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.2 m -96.21 -19.55 19.24 Favored 'General case' 0 N--CA 1.537 3.913 0 C-N-CA 127.475 2.31 . . . . 0.0 113.324 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.81 60.5 0.43 Allowed Glycine 1 C--N 1.453 7.073 0 C-N-CA 125.992 1.758 . . . . 0.0 111.532 -178.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.435 HD11 ' H ' ' A' ' 15' ' ' GLY 0.528 2.8 mm? 66.82 -89.64 0.03 OUTLIER 'General case' 1 C--N 1.447 4.828 0 C-N-CA 129.999 3.32 . . . . 0.0 115.591 -173.44 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . 151.81 39.76 0.03 OUTLIER Glycine 1 C--N 1.401 4.173 0 C-N-CA 125.633 1.587 . . . . 0.0 114.224 -178.524 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -154.43 168.56 26.28 Favored 'General case' 2 C--N 1.438 4.449 0 C-N-CA 129.124 2.97 . . . . 0.0 108.533 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.523 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.1 m -135.17 146.28 48.58 Favored 'General case' 2 C--N 1.444 4.686 0 C-N-CA 123.993 0.917 . . . . 0.0 111.251 166.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.481 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.557 2.2 pp -118.84 123.58 71.74 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.945 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -175.223 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.562 ' HB3' HD11 ' B' ' 6' ' ' ILE . . . -102.71 116.69 33.07 Favored 'General case' 1 C--N 1.438 4.453 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.28 -179.71 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.78 154.9 24.97 Favored Glycine 1 N--CA 1.518 4.161 0 C-N-CA 125.718 1.628 . . . . 0.0 113.284 -173.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.02 149.93 7.53 Favored Glycine 2 N--CA 1.521 4.331 0 N-CA-C 118.263 2.065 . . . . 0.0 118.263 -170.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.251 8.5 p -104.74 -44.66 4.8 Favored 'General case' 1 N--CA 1.561 5.093 0 C-N-CA 126.003 1.721 . . . . 0.0 113.424 165.991 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -99.47 -31.99 11.36 Favored 'General case' 2 C--N 1.432 4.16 0 C-N-CA 126.556 1.943 . . . . 0.0 113.145 177.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -100.28 113.98 65.56 Favored Pre-proline 2 C--N 1.447 4.814 0 C-N-CA 127.102 2.161 . . . . 0.0 112.3 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -72.98 162.99 39.57 Favored 'Trans proline' 3 C--N 1.545 10.869 0 C-N-CA 123.841 3.027 . . . . 0.0 117.107 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -108.23 -57.36 2.13 Favored 'General case' 0 C--N 1.423 3.765 0 C-N-CA 126.765 2.026 . . . . 0.0 111.244 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.317 3.6 tp -119.58 7.0 6.56 Favored 'Isoleucine or valine' 1 CA--C 1.671 5.631 0 C-N-CA 126.646 1.979 . . . . 0.0 114.429 -167.55 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.66 -65.34 0.36 Allowed Glycine 0 C--N 1.394 3.797 0 C-N-CA 126.864 2.173 . . . . 0.0 111.694 -175.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -163.49 84.91 0.49 Allowed 'General case' 1 N--CA 1.542 4.164 1 C-N-CA 131.934 4.094 . . . . 0.0 107.52 176.392 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -100.83 116.51 64.02 Favored Pre-proline 2 CA--C 1.675 5.777 0 C-N-CA 125.525 1.53 . . . . 0.0 112.277 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.89 -30.83 3.44 Favored 'Trans proline' 3 C--N 1.549 11.088 0 C-N-CA 123.993 3.129 . . . . 0.0 118.405 177.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.0 p -92.89 153.88 18.54 Favored 'General case' 2 N--CA 1.552 4.654 0 C-N-CA 126.916 2.086 . . . . 0.0 114.502 -176.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.302 0.6 OUTLIER -94.5 111.78 25.99 Favored 'Isoleucine or valine' 3 C--N 1.451 4.991 0 C-N-CA 125.413 1.485 . . . . 0.0 109.594 -177.974 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -119.76 147.0 45.15 Favored 'General case' 1 N--CA 1.54 4.038 0 C-N-CA 129.886 3.274 . . . . 0.0 111.94 -171.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -86.72 138.58 18.79 Favored 'Isoleucine or valine' 2 C--N 1.448 4.852 0 C-N-CA 125.755 1.622 . . . . 0.0 109.886 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -141.72 -33.99 0.49 Allowed 'General case' 0 CA--C 1.624 3.807 0 C-N-CA 127.53 2.332 . . . . 0.0 109.443 -171.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.275 51.3 tptt -121.84 128.09 51.25 Favored 'General case' 1 C--N 1.464 5.561 0 C-N-CA 124.344 1.058 . . . . 0.0 113.163 179.721 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.649 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 46.1 mm -127.87 124.3 62.68 Favored 'Isoleucine or valine' 0 C--N 1.414 3.411 0 C-N-CA 127.425 2.29 . . . . 0.0 108.094 172.27 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.291 2.9 mp -82.39 131.24 56.28 Favored Pre-proline 2 CA--C 1.678 5.893 0 C-N-CA 127.158 2.183 . . . . 0.0 110.562 173.407 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.91 -19.28 63.97 Favored 'Trans proline' 3 C--N 1.539 10.564 0 C-N-CA 124.197 3.265 . . . . 0.0 117.485 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.86 39.16 1.82 Allowed Glycine 1 C--N 1.429 5.731 0 CA-C-O 117.989 -1.451 . . . . 0.0 115.885 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -94.78 -177.69 38.11 Favored Glycine 2 C--N 1.443 6.499 0 C-N-CA 125.34 1.447 . . . . 0.0 116.569 174.752 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -38.07 28.88 Favored 'General case' 1 N--CA 1.54 4.044 0 C-N-CA 128.748 2.819 . . . . 0.0 115.384 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.5 -24.08 36.92 Favored 'General case' 2 N--CA 1.555 4.811 0 C-N-CA 126.774 2.03 . . . . 0.0 116.073 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 -41.68 16.32 Favored 'General case' 1 C--N 1.444 4.692 0 C-N-CA 127.344 2.257 . . . . 0.0 113.468 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -91.08 -56.58 3.11 Favored 'General case' 2 C--N 1.448 4.872 0 C-N-CA 127.241 2.216 . . . . 0.0 115.06 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.76 -32.7 16.02 Favored 'General case' 2 C--N 1.459 5.345 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -173.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.23 -51.08 3.43 Favored Glycine 2 C--N 1.439 6.276 0 N-CA-C 117.627 1.811 . . . . 0.0 117.627 -172.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.556 86.9 mtm180 90.74 52.62 0.0 OUTLIER 'General case' 2 N--CA 1.577 5.908 0 C-N-CA 130.666 3.586 . . . . 0.0 116.232 -178.479 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.14 130.23 55.69 Favored 'General case' 0 C--N 1.419 3.623 0 C-N-CA 127.909 2.484 . . . . 0.0 111.575 171.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -111.33 154.8 24.02 Favored 'General case' 0 N--CA 1.528 3.434 0 C-N-CA 127.673 2.389 . . . . 0.0 110.651 170.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.479 HG22 HG12 ' A' ' 43' ' ' ILE 0.252 4.2 p -56.26 -28.38 25.75 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.002 0 C-N-CA 128.815 2.846 . . . . 0.0 116.302 -179.039 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -91.92 10.77 27.44 Favored 'General case' 1 CA--C 1.673 5.709 0 C-N-CA 128.627 2.771 . . . . 0.0 112.305 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.251 2.1 m-20 -89.22 -33.04 17.14 Favored 'General case' 2 C--N 1.486 6.514 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 179.652 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m 44.37 118.77 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.812 0 C-N-CA 129.401 3.08 . . . . 0.0 116.751 177.022 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mt -84.28 126.01 40.23 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.176 0 C-N-CA 124.7 1.2 . . . . 0.0 110.192 -175.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.264 1.5 pt? -91.44 -44.19 9.27 Favored 'General case' 1 C--N 1.431 4.115 0 C-N-CA 125.098 1.359 . . . . 0.0 112.027 171.124 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -129.68 125.81 36.86 Favored 'General case' 1 C--N 1.449 4.916 0 O-C-N 125.252 1.595 . . . . 0.0 113.406 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.447 HG23 HG23 ' A' ' 69' ' ' VAL . 37.9 t -112.02 130.06 66.35 Favored 'Isoleucine or valine' 1 N--CA 1.586 6.345 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -178.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.4 m120 71.77 -1.98 2.64 Favored 'General case' 3 N--CA 1.63 8.572 0 C-N-CA 128.577 2.751 . . . . 0.0 114.89 -176.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.395 47.4 mt-10 87.92 8.72 0.16 Allowed 'General case' 3 N--CA 1.583 6.182 0 C-N-CA 130.772 3.629 . . . . 0.0 111.73 -160.571 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.405 24.4 m -95.82 154.94 3.44 Favored 'Isoleucine or valine' 1 C--N 1.465 5.619 0 C-N-CA 127.191 2.196 . . . . 0.0 113.747 179.176 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.433 4.5 p-10 -81.88 98.56 8.58 Favored 'General case' 0 C--N 1.411 3.27 0 C-N-CA 127.177 2.191 . . . . 0.0 115.228 -173.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG23 HG23 ' A' ' 64' ' ' VAL 0.423 28.1 m -94.63 -13.97 8.19 Favored 'Isoleucine or valine' 1 N--CA 1.549 4.514 0 CA-C-N 113.084 -1.871 . . . . 0.0 115.246 176.767 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.33 38.8 ptt180 -47.96 -21.89 0.51 Allowed 'General case' 2 N--CA 1.584 6.249 0 N-CA-C 118.383 2.734 . . . . 0.0 118.383 179.791 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -150.95 74.77 1.17 Allowed 'General case' 1 C--N 1.436 4.36 0 C-N-CA 128.644 2.777 . . . . 0.0 107.242 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.293 18.6 m -140.91 160.7 23.47 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.649 0 C-N-CA 127.158 2.183 . . . . 0.0 110.783 177.529 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -77.25 162.71 27.14 Favored 'General case' 1 N--CA 1.561 5.08 0 C-N-CA 126.737 2.015 . . . . 0.0 112.3 166.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -47.25 -57.98 4.6 Favored 'General case' 3 N--CA 1.575 5.814 0 C-N-CA 129.189 2.996 . . . . 0.0 112.676 174.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.1 m -61.0 -34.01 74.14 Favored 'General case' 2 C--N 1.453 5.101 0 C-N-CA 126.576 1.95 . . . . 0.0 113.543 177.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.63 -22.44 62.52 Favored 'General case' 2 C--N 1.456 5.227 0 C-N-CA 128.365 2.666 . . . . 0.0 114.384 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.31 -35.42 15.26 Favored 'General case' 1 C--N 1.463 5.507 0 C-N-CA 126.393 1.877 . . . . 0.0 112.712 174.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.5 t -73.15 -41.95 58.66 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.833 0 C-N-CA 127.298 2.239 . . . . 0.0 111.5 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.15 -29.62 67.56 Favored 'General case' 2 N--CA 1.564 5.243 0 C-N-CA 128.719 2.808 . . . . 0.0 114.722 178.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.61 -28.23 65.76 Favored 'General case' 2 C--N 1.446 4.778 0 C-N-CA 127.252 2.221 . . . . 0.0 112.616 171.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.406 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.8 mt -91.11 -31.91 16.05 Favored 'General case' 2 C--N 1.452 5.05 0 C-N-CA 127.008 2.123 . . . . 0.0 113.6 178.764 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -83.46 -29.05 28.33 Favored 'General case' 0 C--N 1.427 3.942 0 C-N-CA 127.695 2.398 . . . . 0.0 113.832 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.387 10.1 pt-20 -70.36 -44.11 68.79 Favored 'General case' 2 N--CA 1.584 6.235 0 N-CA-C 118.437 2.755 . . . . 0.0 118.437 177.323 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.33 -20.77 66.55 Favored 'General case' 2 C--N 1.45 4.967 0 C-N-CA 125.843 1.657 . . . . 0.0 114.651 -176.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.23 -34.18 0.54 Allowed Glycine 1 C--N 1.425 5.475 0 N-CA-C 122.783 3.873 . . . . 0.0 122.783 169.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 m -143.41 -36.35 0.37 Allowed 'General case' 0 N--CA 1.516 2.831 0 C-N-CA 128.334 2.654 . . . . 0.0 112.703 -168.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.271 31.5 mm -133.38 109.49 13.69 Favored 'Isoleucine or valine' 2 C--N 1.446 4.798 0 C-N-CA 125.491 1.517 . . . . 0.0 109.246 -175.015 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.406 HG13 ' HA ' ' A' ' 81' ' ' LEU 0.299 0.0 OUTLIER -118.41 115.72 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.354 0 O-C-N 125.694 1.871 . . . . 0.0 113.297 -179.374 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.417 ' HB3' HG21 ' A' ' 11' ' ' THR 0.393 38.0 ptt180 -107.29 105.13 14.94 Favored 'General case' 1 N--CA 1.562 5.155 0 C-N-CA 126.25 1.82 . . . . 0.0 115.182 -176.236 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.84 143.47 32.41 Favored 'General case' 0 N--CA 1.533 3.694 0 C-N-CA 127.536 2.334 . . . . 0.0 114.224 -176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -121.88 111.83 17.58 Favored 'General case' 0 C--N 1.417 3.523 0 C-N-CA 126.722 2.009 . . . . 0.0 111.153 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.3 m -106.8 159.62 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.475 0 O-C-N 126.326 2.266 . . . . 0.0 115.147 -175.105 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.343 0.0 OUTLIER -126.82 112.2 15.09 Favored 'General case' 2 N--CA 1.554 4.757 0 C-N-CA 127.459 2.303 . . . . 0.0 113.68 -176.23 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.355 15.4 ptm180 -119.38 127.91 53.57 Favored 'General case' 0 N--CA 1.534 3.747 0 C-N-CA 126.379 1.872 . . . . 0.0 112.789 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -71.95 140.23 49.06 Favored 'General case' 1 N--CA 1.554 4.737 0 C-N-CA 127.384 2.274 . . . . 0.0 115.897 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.293 0.6 OUTLIER -54.39 126.8 55.93 Favored Pre-proline 2 CA--C 1.67 5.59 0 C-N-CA 129.972 3.309 . . . . 0.0 116.414 -178.214 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -65.92 138.69 53.79 Favored 'Trans proline' 3 C--N 1.55 11.136 0 C-N-CA 124.187 3.258 . . . . 0.0 118.29 -174.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.95 -32.33 11.33 Favored 'Trans proline' 3 C--N 1.552 11.275 0 C-N-CA 123.956 3.104 . . . . 0.0 117.24 175.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.449 4.904 0 C-N-CA 126.673 1.989 . . . . 0.0 112.769 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.287 6.3 t . . . . . 0 N--CA 1.529 3.505 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.318 6.3 m -65.57 -26.41 39.05 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.678 0 C-N-CA 129.729 3.212 . . . . 0.0 118.094 -175.007 . . . . . . . . 3 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 34.3 p -129.38 4.65 5.17 Favored 'General case' 2 N--CA 1.566 5.353 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.19 134.7 35.32 Favored 'General case' 1 C--N 1.431 4.139 0 C-N-CA 127.402 2.281 . . . . 0.0 115.081 -171.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -130.45 92.22 3.23 Favored 'General case' 0 C--N 1.41 3.22 0 C-N-CA 128.274 2.63 . . . . 0.0 107.42 166.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.562 HD11 ' HB3' ' A' ' 24' ' ' ALA 0.506 9.5 tp -107.62 42.97 0.21 Allowed 'Isoleucine or valine' 2 CA--C 1.637 4.301 0 CA-C-N 114.32 -1.309 . . . . 0.0 114.102 -177.86 . . . . . . . . 4 3 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 70.5 m -109.32 73.9 0.87 Allowed 'General case' 1 N--CA 1.542 4.17 0 C-N-CA 127.08 2.152 . . . . 0.0 110.103 171.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.481 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 68.5 m -136.98 -174.67 3.8 Favored 'General case' 2 N--CA 1.552 4.649 0 C-N-CA 127.334 2.254 . . . . 0.0 112.998 -173.196 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 C--N 1.451 5.001 0 C-N-CA 126.871 2.068 . . . . 0.0 107.302 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.461 0 CA-C-O 119.515 -0.603 . . . . 0.0 112.847 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.73 132.92 53.48 Favored 'General case' 0 C--N 1.425 3.874 0 C-N-CA 126.633 1.973 . . . . 0.0 112.689 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 46.1 mtt -105.35 123.44 47.87 Favored 'General case' 2 N--CA 1.546 4.35 0 C-N-CA 126.039 1.736 . . . . 0.0 114.295 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.305 9.7 pt-20 -119.53 157.21 28.81 Favored 'General case' 0 N--CA 1.536 3.858 0 C-N-CA 128.094 2.558 . . . . 0.0 114.076 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.359 25.0 ptt? -71.89 154.55 41.17 Favored 'General case' 2 N--CA 1.556 4.856 0 C-N-CA 127.03 2.132 . . . . 0.0 114.889 -179.839 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.391 10.4 pt-20 -115.06 119.81 37.73 Favored 'General case' 1 N--CA 1.542 4.156 0 C-N-CA 125.799 1.64 . . . . 0.0 114.843 -168.141 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -108.52 145.61 34.49 Favored 'General case' 0 N--CA 1.538 3.964 0 C-N-CA 126.439 1.895 . . . . 0.0 113.225 -177.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -124.52 130.9 53.32 Favored 'General case' 1 N--CA 1.543 4.203 0 C-N-CA 125.848 1.659 . . . . 0.0 113.182 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.301 11.8 pt-20 -106.46 109.24 21.11 Favored 'General case' 0 C--N 1.423 3.799 0 C-N-CA 125.765 1.626 . . . . 0.0 111.952 172.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 6.9 mt -109.74 139.28 33.55 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.813 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -178.925 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.254 0.2 OUTLIER -110.72 120.15 41.47 Favored 'General case' 0 N--CA 1.533 3.702 0 C-N-CA 126.455 1.902 . . . . 0.0 112.456 171.5 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 mt -117.69 144.81 44.9 Favored 'General case' 0 C--N 1.402 2.868 0 C-N-CA 127.076 2.15 . . . . 0.0 112.793 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -97.44 124.92 41.8 Favored 'General case' 1 N--CA 1.543 4.18 0 C-N-CA 126.352 1.861 . . . . 0.0 108.09 172.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -56.86 108.0 0.46 Allowed 'General case' 2 N--CA 1.56 5.065 0 C-N-CA 128.384 2.673 . . . . 0.0 112.924 -173.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.76 150.58 43.2 Favored Glycine 2 N--CA 1.541 5.633 0 N-CA-C 118.601 2.2 . . . . 0.0 118.601 -172.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -81.56 -26.89 34.64 Favored 'General case' 1 N--CA 1.566 5.326 0 C-N-CA 127.454 2.302 . . . . 0.0 113.919 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.6 m -88.73 -21.26 23.94 Favored 'General case' 2 C--N 1.441 4.578 0 C-N-CA 127.032 2.133 . . . . 0.0 112.862 172.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.05 51.82 0.55 Allowed Glycine 1 C--N 1.452 7.006 0 C-N-CA 125.824 1.678 . . . . 0.0 114.048 173.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.517 3.7 mm? 65.07 -41.42 0.3 Allowed 'General case' 2 C--N 1.451 5.02 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 -179.253 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.06 25.29 6.51 Favored Glycine 2 N--CA 1.523 4.485 0 C-N-CA 125.613 1.578 . . . . 0.0 115.975 178.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -154.64 169.02 24.86 Favored 'General case' 1 C--N 1.44 4.534 0 C-N-CA 128.528 2.731 . . . . 0.0 109.505 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.551 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 58.8 m -135.02 144.12 47.15 Favored 'General case' 1 C--N 1.448 4.89 0 C-N-CA 124.089 0.956 . . . . 0.0 110.948 166.221 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.446 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.494 2.0 pp -120.68 129.0 76.1 Favored 'Isoleucine or valine' 2 N--CA 1.565 5.276 0 N-CA-C 119.23 3.048 . . . . 0.0 119.23 -175.361 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.65 118.23 36.37 Favored 'General case' 1 C--N 1.438 4.429 0 CA-C-N 113.2 -1.818 . . . . 0.0 111.853 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.91 159.04 24.47 Favored Glycine 0 N--CA 1.512 3.753 0 C-N-CA 126.226 1.869 . . . . 0.0 112.967 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.86 120.87 0.66 Allowed Glycine 1 C--N 1.414 4.868 0 N-CA-C 120.19 2.836 . . . . 0.0 120.19 -176.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.294 12.0 p -104.44 -37.42 7.19 Favored 'General case' 1 N--CA 1.555 4.817 0 O-C-N 125.757 1.504 . . . . 0.0 113.397 161.336 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -106.36 -35.65 7.07 Favored 'General case' 2 C--N 1.435 4.314 0 C-N-CA 125.286 1.435 . . . . 0.0 113.34 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -101.44 118.99 58.78 Favored Pre-proline 2 C--N 1.441 4.568 0 C-N-CA 127.135 2.174 . . . . 0.0 113.624 -178.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HB2' ' HB2' ' B' ' 3' ' ' SER . 14.9 Cg_exo -66.3 151.25 83.82 Favored 'Trans proline' 3 C--N 1.552 11.274 0 C-N-CA 123.919 3.079 . . . . 0.0 117.409 176.057 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -105.13 -49.66 3.42 Favored 'General case' 1 CA--C 1.629 4.017 0 C-N-CA 128.395 2.678 . . . . 0.0 113.148 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.539 ' HA ' HG11 ' B' ' 1' ' ' VAL 0.348 2.7 pp -131.26 -51.76 0.88 Allowed 'Isoleucine or valine' 1 N--CA 1.573 5.69 0 C-N-CA 126.167 1.787 . . . . 0.0 114.212 -165.45 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.93 33.34 0.3 Allowed Glycine 0 N--CA 1.497 2.744 0 C-N-CA 128.827 3.108 . . . . 0.0 112.972 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.41 12.1 t70 80.42 72.5 0.03 OUTLIER 'General case' 2 N--CA 1.571 5.593 0 C-N-CA 130.736 3.614 . . . . 0.0 110.432 -177.861 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.69 126.14 56.97 Favored Pre-proline 1 CA--C 1.677 5.863 0 CA-C-N 112.215 -2.266 . . . . 0.0 114.272 -176.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -76.8 -28.68 6.13 Favored 'Trans proline' 3 C--N 1.553 11.318 0 C-N-CA 124.187 3.258 . . . . 0.0 118.112 175.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m -91.74 152.65 20.08 Favored 'General case' 2 N--CA 1.557 4.896 0 C-N-CA 127.06 2.144 . . . . 0.0 114.009 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 1.592 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.291 0.6 OUTLIER -92.66 119.46 40.3 Favored 'Isoleucine or valine' 3 C--N 1.452 5.052 0 C-N-CA 125.529 1.532 . . . . 0.0 110.142 -177.709 . . . . . . . . 5 4 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -121.36 155.1 35.51 Favored 'General case' 1 N--CA 1.546 4.335 0 C-N-CA 127.686 2.395 . . . . 0.0 112.183 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -90.44 141.7 14.0 Favored 'Isoleucine or valine' 1 C--N 1.456 5.199 0 C-N-CA 125.938 1.695 . . . . 0.0 108.787 168.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.302 20.3 p -142.4 -28.16 0.6 Allowed 'General case' 1 N--CA 1.563 5.187 0 C-N-CA 127.065 2.146 . . . . 0.0 112.907 -179.626 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.287 51.9 tptt -119.8 126.39 50.89 Favored 'General case' 1 C--N 1.466 5.643 0 C-N-CA 124.103 0.961 . . . . 0.0 112.823 178.322 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.651 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 45.0 mm -127.43 124.39 63.67 Favored 'Isoleucine or valine' 0 C--N 1.411 3.266 0 C-N-CA 127.411 2.284 . . . . 0.0 107.951 172.28 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.299 3.0 mp -81.04 128.95 69.33 Favored Pre-proline 2 CA--C 1.68 5.97 0 C-N-CA 127.243 2.217 . . . . 0.0 110.913 173.455 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.63 -21.98 70.24 Favored 'Trans proline' 3 C--N 1.541 10.659 0 C-N-CA 124.315 3.343 . . . . 0.0 117.645 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.14 37.44 2.2 Favored Glycine 1 C--N 1.43 5.758 0 CA-C-O 117.891 -1.505 . . . . 0.0 115.963 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.05 -178.05 39.07 Favored Glycine 2 C--N 1.445 6.632 0 C-N-CA 125.152 1.358 . . . . 0.0 116.149 174.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.03 -35.34 31.98 Favored 'General case' 0 N--CA 1.537 3.888 0 C-N-CA 128.384 2.674 . . . . 0.0 115.706 -177.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.64 -24.03 36.6 Favored 'General case' 2 N--CA 1.565 5.31 0 C-N-CA 126.945 2.098 . . . . 0.0 116.193 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.35 -41.65 16.55 Favored 'General case' 1 C--N 1.441 4.551 0 C-N-CA 127.266 2.226 . . . . 0.0 113.31 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -91.14 -56.7 3.06 Favored 'General case' 1 C--N 1.45 4.955 0 C-N-CA 127.251 2.22 . . . . 0.0 115.039 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.68 -32.96 15.99 Favored 'General case' 2 C--N 1.461 5.417 0 N-CA-C 117.805 2.52 . . . . 0.0 117.805 -173.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.32 -49.07 4.08 Favored Glycine 2 C--N 1.437 6.165 0 N-CA-C 117.573 1.789 . . . . 0.0 117.573 -172.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.577 84.3 mtm180 88.28 54.72 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.793 0 C-N-CA 130.597 3.559 . . . . 0.0 116.809 -179.168 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tp -111.15 132.33 54.39 Favored 'General case' 0 C--N 1.417 3.51 0 C-N-CA 127.609 2.364 . . . . 0.0 111.637 171.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -111.45 153.18 26.5 Favored 'General case' 0 N--CA 1.526 3.363 0 C-N-CA 127.66 2.384 . . . . 0.0 110.563 170.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.467 HG21 HG12 ' A' ' 43' ' ' ILE . 6.0 p -56.41 -27.69 25.08 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.061 0 C-N-CA 129.008 2.923 . . . . 0.0 115.996 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -91.72 9.33 32.96 Favored 'General case' 1 CA--C 1.67 5.591 0 C-N-CA 128.748 2.819 . . . . 0.0 112.253 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.25 1.8 m-20 -84.77 -31.91 23.69 Favored 'General case' 2 C--N 1.491 6.754 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 179.472 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.5 t 45.18 122.77 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.677 0 C-N-CA 129.379 3.072 . . . . 0.0 115.978 176.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 64' ' ' VAL 0.256 28.4 mt -84.04 130.98 34.98 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.928 0 C-N-CA 125.283 1.433 . . . . 0.0 111.011 -176.529 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.5 pt? -97.75 -45.48 6.33 Favored 'General case' 1 C--N 1.432 4.189 0 O-C-N 125.218 1.574 . . . . 0.0 112.152 166.493 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -133.36 137.44 45.89 Favored 'General case' 1 C--N 1.448 4.888 0 O-C-N 124.981 1.426 . . . . 0.0 112.988 -176.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 61' ' ' ILE 0.466 1.3 m -121.02 139.59 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.789 0 C-N-CA 124.754 1.221 . . . . 0.0 112.112 171.66 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 69.24 -5.34 1.11 Allowed 'General case' 2 N--CA 1.598 6.946 0 C-N-CA 128.838 2.855 . . . . 0.0 115.673 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.416 11.8 mm-40 92.54 7.77 0.04 OUTLIER 'General case' 3 N--CA 1.58 6.053 0 C-N-CA 131.451 3.9 . . . . 0.0 111.994 -160.254 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.386 28.4 m -95.51 151.6 3.89 Favored 'Isoleucine or valine' 1 C--N 1.463 5.535 0 C-N-CA 127.931 2.493 . . . . 0.0 113.723 178.01 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.431 4.4 p30 -84.33 101.95 12.34 Favored 'General case' 0 C--N 1.404 2.945 0 C-N-CA 127.36 2.264 . . . . 0.0 115.455 -173.138 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.476 27.8 m -97.83 -3.72 9.85 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.229 0 CA-C-N 112.878 -1.965 . . . . 0.0 115.574 176.277 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -46.06 -28.47 1.19 Allowed 'General case' 3 N--CA 1.596 6.844 0 C-N-CA 128.62 2.768 . . . . 0.0 116.625 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -151.85 82.1 1.28 Allowed 'General case' 1 C--N 1.459 5.365 0 C-N-CA 129.651 3.181 . . . . 0.0 108.741 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 1.561 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.293 17.6 m -141.89 163.81 19.21 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.613 0 C-N-CA 126.616 1.966 . . . . 0.0 111.015 178.399 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 p -78.88 163.98 24.84 Favored 'General case' 1 N--CA 1.57 5.532 0 C-N-CA 126.729 2.012 . . . . 0.0 111.364 166.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.279 55.9 p-80 -54.07 -52.05 62.15 Favored 'General case' 2 N--CA 1.597 6.922 0 C-N-CA 125.518 1.527 . . . . 0.0 114.24 177.081 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -60.66 -33.73 73.25 Favored 'General case' 2 N--CA 1.556 4.867 0 C-N-CA 126.979 2.112 . . . . 0.0 112.958 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.26 -24.37 63.97 Favored 'General case' 2 C--N 1.452 5.037 0 C-N-CA 128.327 2.651 . . . . 0.0 114.145 174.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.67 -31.83 16.45 Favored 'General case' 1 C--N 1.461 5.429 0 C-N-CA 126.744 2.017 . . . . 0.0 113.192 174.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.0 t -74.55 -41.54 48.87 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.736 0 C-N-CA 127.589 2.356 . . . . 0.0 111.488 176.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.08 -20.3 66.12 Favored 'General case' 1 N--CA 1.597 6.892 0 C-N-CA 128.575 2.75 . . . . 0.0 115.224 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.73 -29.65 62.37 Favored 'General case' 1 C--N 1.431 4.131 0 C-N-CA 126.626 1.97 . . . . 0.0 111.321 166.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.254 12.5 mt -93.04 -31.24 14.93 Favored 'General case' 1 C--N 1.456 5.23 0 C-N-CA 126.904 2.082 . . . . 0.0 116.107 -178.768 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -85.01 -38.54 19.1 Favored 'General case' 1 N--CA 1.544 4.257 0 C-N-CA 127.341 2.256 . . . . 0.0 113.104 176.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.268 39.2 mt-10 -90.0 -17.23 28.23 Favored 'General case' 2 N--CA 1.59 6.544 0 N-CA-C 120.011 3.337 . . . . 0.0 120.011 -175.809 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.49 -22.93 46.99 Favored 'General case' 3 N--CA 1.592 6.641 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.83 -35.12 5.2 Favored Glycine 1 C--N 1.423 5.379 0 N-CA-C 119.822 2.689 . . . . 0.0 119.822 165.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 t -173.42 -30.96 0.01 OUTLIER 'General case' 1 N--CA 1.566 5.365 0 C-N-CA 128.324 2.65 . . . . 0.0 111.016 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.276 23.4 mm -123.1 124.83 71.04 Favored 'Isoleucine or valine' 1 C--N 1.437 4.41 0 C-N-CA 125.545 1.538 . . . . 0.0 109.563 -178.96 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.371 23.3 m -124.57 121.54 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.758 0 C-N-CA 127.906 2.483 . . . . 0.0 111.945 178.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.406 37.0 ptt180 -113.46 99.69 7.95 Favored 'General case' 1 N--CA 1.556 4.829 0 C-N-CA 125.824 1.649 . . . . 0.0 115.302 -176.054 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.26 137.04 32.68 Favored 'General case' 0 N--CA 1.533 3.715 0 C-N-CA 127.321 2.248 . . . . 0.0 114.144 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -118.6 110.38 17.28 Favored 'General case' 1 C--O 1.318 4.666 0 C-N-CA 126.694 1.998 . . . . 0.0 110.57 177.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 31.3 m -106.48 159.39 6.35 Favored 'Isoleucine or valine' 2 CA--C 1.659 5.144 0 O-C-N 127.106 2.754 . . . . 0.0 114.793 -176.398 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.286 25.8 ptt? -128.15 120.97 28.41 Favored 'General case' 1 N--CA 1.572 5.66 0 C-N-CA 127.467 2.307 . . . . 0.0 114.644 -175.21 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.354 35.4 ptt180 -124.55 125.89 44.92 Favored 'General case' 1 N--CA 1.54 4.029 0 C-N-CA 127.007 2.123 . . . . 0.0 112.099 175.926 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -75.8 139.7 41.92 Favored 'General case' 1 N--CA 1.558 4.971 0 C-N-CA 127.265 2.226 . . . . 0.0 116.355 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.288 2.0 pptp? -68.63 128.58 92.93 Favored Pre-proline 2 CA--C 1.666 5.422 0 C-N-CA 128.564 2.746 . . . . 0.0 116.438 -178.674 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -72.7 144.95 40.45 Favored 'Trans proline' 3 C--N 1.548 11.039 0 C-N-CA 123.563 2.842 . . . . 0.0 116.334 176.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -68.45 136.75 37.61 Favored 'Trans proline' 3 C--N 1.552 11.252 0 C-N-CA 123.821 3.014 . . . . 0.0 116.763 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.431 4.139 0 C-N-CA 126.491 1.916 . . . . 0.0 112.866 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 32' ' ' ILE 0.467 5.9 m . . . . . 0 N--CA 1.535 3.813 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.427 14.8 m -103.14 -38.41 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.451 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -176.021 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 30' ' ' PRO 0.255 67.3 m -130.83 -53.12 1.06 Allowed 'General case' 2 C--N 1.454 5.111 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -172.462 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.399 18.6 tt0 60.39 -78.48 0.02 OUTLIER 'General case' 2 C--N 1.465 5.601 0 C-N-CA 130.6 3.56 . . . . 0.0 114.556 -176.85 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.412 97.8 mtt180 45.31 65.2 1.17 Allowed 'General case' 2 N--CA 1.578 5.965 0 C-N-CA 128.708 2.803 . . . . 0.0 114.65 -173.199 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.537 11.1 tt -90.9 -100.33 0.04 OUTLIER 'Isoleucine or valine' 2 CA--C 1.639 4.397 0 CA-C-N 113.178 -1.828 . . . . 0.0 113.101 -173.606 . . . . . . . . 3 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 67.9 m 47.48 24.65 0.51 Allowed 'General case' 3 N--CA 1.623 8.19 0 C-N-CA 128.414 2.686 . . . . 0.0 115.544 -175.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.446 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 71.2 m -80.89 -171.23 3.07 Favored 'General case' 2 CA--C 1.633 4.157 0 C-N-CA 129.303 3.041 . . . . 0.0 115.574 -168.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 1 C--N 1.433 4.213 0 C-N-CA 127.077 2.151 . . . . 0.0 109.513 -173.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 CA-C-O 119.437 -0.646 . . . . 0.0 112.985 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.42 133.9 53.39 Favored 'General case' 0 N--CA 1.536 3.852 0 C-N-CA 126.486 1.914 . . . . 0.0 113.283 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.2 mmt -111.93 144.79 40.68 Favored 'General case' 0 C--N 1.428 3.982 0 C-N-CA 126.243 1.817 . . . . 0.0 113.981 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -105.97 165.99 10.81 Favored 'General case' 1 N--CA 1.541 4.106 0 C-N-CA 126.75 2.02 . . . . 0.0 113.769 -177.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.268 17.5 ptt? -108.78 158.58 17.51 Favored 'General case' 0 CA--C 1.625 3.833 0 C-N-CA 128.91 2.884 . . . . 0.0 114.181 -178.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -127.75 124.79 38.62 Favored 'General case' 1 N--CA 1.558 4.934 0 C-N-CA 127.792 2.437 . . . . 0.0 111.65 -177.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -104.22 144.1 32.06 Favored 'General case' 1 N--CA 1.55 4.553 0 C-N-CA 126.495 1.918 . . . . 0.0 113.051 -177.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -130.62 133.07 45.84 Favored 'General case' 2 N--CA 1.552 4.664 0 C-N-CA 124.58 1.152 . . . . 0.0 111.578 -177.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.287 11.5 pt-20 -106.23 113.03 26.31 Favored 'General case' 2 N--CA 1.541 4.098 0 C-N-CA 126.501 1.92 . . . . 0.0 112.661 175.393 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -114.96 146.9 18.8 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.1 0 C-N-CA 125.306 1.442 . . . . 0.0 110.634 -176.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.28 127.23 55.33 Favored 'General case' 2 N--CA 1.552 4.675 0 C-N-CA 127.246 2.218 . . . . 0.0 113.571 172.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.37 149.55 51.1 Favored 'General case' 0 N--CA 1.536 3.851 0 C-N-CA 126.798 2.039 . . . . 0.0 113.258 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -96.77 122.95 40.28 Favored 'General case' 2 N--CA 1.55 4.564 0 C-N-CA 126.796 2.039 . . . . 0.0 109.628 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -92.58 134.85 34.59 Favored 'General case' 0 N--CA 1.529 3.506 0 C-N-CA 127.542 2.337 . . . . 0.0 114.428 -174.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.39 -57.89 4.19 Favored Glycine 2 N--CA 1.547 6.083 0 O-C-N 126.104 2.128 . . . . 0.0 117.81 165.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -65.18 -25.16 67.6 Favored 'General case' 1 N--CA 1.571 5.591 0 C-N-CA 127.714 2.406 . . . . 0.0 115.23 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.9 p -102.24 -23.81 13.97 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 125.614 1.566 . . . . 0.0 114.352 174.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.19 61.98 1.61 Allowed Glycine 2 C--N 1.49 9.139 0 CA-C-O 118.273 -1.293 . . . . 0.0 114.069 172.627 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 95.3 mt -41.54 121.69 1.75 Allowed 'General case' 2 N--CA 1.568 5.47 0 C-N-CA 128.403 2.681 . . . . 0.0 117.029 -172.286 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.557 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . -104.17 60.82 0.43 Allowed Glycine 1 C--N 1.418 5.119 0 C-N-CA 126.436 1.969 . . . . 0.0 117.211 -167.273 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -158.95 165.05 34.99 Favored 'General case' 0 CA--C 1.624 3.796 0 C-N-CA 128.774 2.83 . . . . 0.0 108.561 167.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.563 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 75.7 m -131.31 139.25 49.52 Favored 'General case' 1 C--N 1.437 4.404 0 C-N-CA 125.645 1.578 . . . . 0.0 110.098 170.426 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.512 2.1 pp -113.97 122.74 68.68 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.256 0 N-CA-C 119.216 3.043 . . . . 0.0 119.216 -174.025 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' B' ' 6' ' ' ILE . . . -104.53 117.61 34.56 Favored 'General case' 0 C--N 1.427 3.953 0 CA-C-N 113.505 -1.68 . . . . 0.0 111.464 -176.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.72 153.26 14.54 Favored Glycine 0 C--N 1.382 3.133 0 CA-C-N 113.399 -1.728 . . . . 0.0 113.089 -174.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.05 147.66 6.32 Favored Glycine 0 N--CA 1.514 3.861 0 N-CA-C 117.794 1.877 . . . . 0.0 117.794 -169.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.253 6.1 p -96.78 -33.27 11.74 Favored 'General case' 1 N--CA 1.56 5.073 0 C-N-CA 126.433 1.893 . . . . 0.0 113.268 167.629 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.72 -38.56 7.02 Favored 'General case' 1 C--N 1.432 4.164 0 C-N-CA 125.915 1.686 . . . . 0.0 112.473 175.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -101.67 99.4 11.62 Favored Pre-proline 2 CA--C 1.689 6.296 0 C-N-CA 126.568 1.947 . . . . 0.0 110.552 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.482 ' HB2' ' HB2' ' B' ' 3' ' ' SER . 23.1 Cg_exo -69.28 164.64 33.28 Favored 'Trans proline' 3 C--N 1.542 10.719 0 C-N-CA 124.269 3.313 . . . . 0.0 117.814 178.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -119.79 -41.81 2.65 Favored 'General case' 1 C--N 1.431 4.128 0 C-N-CA 127.309 2.244 . . . . 0.0 111.964 171.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.322 3.5 tp -113.29 16.15 8.12 Favored 'Isoleucine or valine' 1 CA--C 1.671 5.604 0 C-N-CA 126.513 1.925 . . . . 0.0 113.783 -168.866 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.88 -72.05 0.48 Allowed Glycine 1 C--N 1.406 4.434 0 C-N-CA 125.722 1.63 . . . . 0.0 113.328 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.27 4.6 p-10 -156.84 14.25 0.27 Allowed 'General case' 3 N--CA 1.575 5.804 0 C-N-CA 128.056 2.543 . . . . 0.0 114.997 -176.332 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -88.68 145.25 34.7 Favored Pre-proline 3 CA--C 1.655 5.013 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 -170.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.87 -13.24 26.58 Favored 'Trans proline' 3 C--N 1.562 11.812 0 C-N-CA 124.62 3.547 . . . . 0.0 120.064 -177.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.6 t -75.0 141.42 43.96 Favored 'General case' 3 N--CA 1.566 5.34 0 C-N-CA 126.712 2.005 . . . . 0.0 114.599 -173.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 1.605 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.261 0.7 OUTLIER -98.18 129.09 48.92 Favored 'Isoleucine or valine' 3 C--N 1.444 4.677 0 C-N-CA 126.15 1.78 . . . . 0.0 109.835 -178.744 . . . . . . . . 5 4 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -134.99 158.94 43.05 Favored 'General case' 1 N--CA 1.557 4.88 0 C-N-CA 128.281 2.632 . . . . 0.0 111.312 -176.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -90.31 144.43 9.13 Favored 'Isoleucine or valine' 2 C--N 1.462 5.459 0 C-N-CA 125.998 1.719 . . . . 0.0 109.766 172.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.432 14.0 t -145.52 -28.09 0.45 Allowed 'General case' 1 N--CA 1.555 4.782 0 C-N-CA 126.453 1.901 . . . . 0.0 113.627 179.632 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 11.3 tmtt? -122.96 125.62 45.64 Favored 'General case' 1 C--N 1.459 5.35 0 O-C-N 124.163 0.914 . . . . 0.0 110.702 -179.051 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.608 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 41.1 mm -122.15 128.67 75.61 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.167 0 C-N-CA 127.119 2.168 . . . . 0.0 108.442 174.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.29 3.9 mp -83.58 130.24 56.73 Favored Pre-proline 1 CA--C 1.682 6.034 0 C-N-CA 125.689 1.596 . . . . 0.0 109.951 172.705 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.65 -22.02 70.13 Favored 'Trans proline' 3 C--N 1.536 10.408 0 C-N-CA 124.401 3.4 . . . . 0.0 117.706 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.57 46.06 1.09 Allowed Glycine 1 C--N 1.428 5.668 0 O-C-N 124.753 1.283 . . . . 0.0 115.292 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.557 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -99.24 -177.37 31.64 Favored Glycine 2 C--N 1.434 6.002 0 C-N-CA 125.832 1.682 . . . . 0.0 115.093 173.678 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.72 -39.09 27.63 Favored 'General case' 1 N--CA 1.546 4.332 0 C-N-CA 126.842 2.057 . . . . 0.0 116.445 -176.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.27 -24.72 37.1 Favored 'General case' 2 N--CA 1.557 4.895 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.19 -46.2 12.13 Favored 'General case' 1 C--N 1.45 4.947 0 C-N-CA 127.674 2.389 . . . . 0.0 113.785 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -90.65 -53.04 4.59 Favored 'General case' 1 C--N 1.45 4.943 0 C-N-CA 127.649 2.38 . . . . 0.0 114.913 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.91 -35.7 14.59 Favored 'General case' 1 C--N 1.455 5.172 0 N-CA-C 117.947 2.573 . . . . 0.0 117.947 -172.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.3 -74.68 1.29 Allowed Glycine 2 C--N 1.463 7.616 0 N-CA-C 118.187 2.035 . . . . 0.0 118.187 -170.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 173.79 -25.87 0.0 OUTLIER 'General case' 2 N--CA 1.623 8.188 0 C-N-CA 129.217 3.007 . . . . 0.0 114.215 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . 0.29 2.0 tt -77.92 128.78 34.47 Favored 'General case' 1 C--N 1.453 5.069 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -161.996 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -111.32 155.4 23.11 Favored 'General case' 0 CA--C 1.612 3.36 0 C-N-CA 129.156 2.983 . . . . 0.0 110.57 170.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.505 HG21 HG12 ' A' ' 43' ' ' ILE . 5.8 p -54.23 -27.18 16.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.41 0 C-N-CA 129.626 3.17 . . . . 0.0 116.138 179.231 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -91.32 8.9 33.8 Favored 'General case' 1 CA--C 1.668 5.483 0 C-N-CA 128.586 2.754 . . . . 0.0 112.395 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.98 -35.52 17.57 Favored 'General case' 2 C--N 1.484 6.43 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.271 70.3 m 44.74 118.47 0.0 OUTLIER 'General case' 2 N--CA 1.591 6.59 0 C-N-CA 129.557 3.143 . . . . 0.0 117.044 177.27 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mt -85.26 127.77 39.67 Favored 'Isoleucine or valine' 1 N--CA 1.565 5.296 0 C-N-CA 125.062 1.345 . . . . 0.0 110.376 -175.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.5 pt? -93.36 -43.36 8.82 Favored 'General case' 0 C--N 1.428 3.985 0 O-C-N 125.063 1.477 . . . . 0.0 112.652 170.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -129.82 127.32 40.04 Favored 'General case' 2 C--N 1.447 4.819 0 O-C-N 125.108 1.505 . . . . 0.0 113.517 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.418 HG21 HG21 ' A' ' 69' ' ' VAL . 14.3 t -115.04 129.86 70.52 Favored 'Isoleucine or valine' 1 N--CA 1.593 6.694 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 -178.72 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 74.43 -4.95 2.2 Favored 'General case' 2 N--CA 1.629 8.504 0 C-N-CA 128.625 2.77 . . . . 0.0 114.597 -174.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.399 46.8 mt-10 89.12 7.9 0.11 Allowed 'General case' 3 N--CA 1.582 6.145 0 C-N-CA 130.976 3.711 . . . . 0.0 111.654 -159.621 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.401 21.4 m -94.62 156.01 3.19 Favored 'Isoleucine or valine' 1 C--N 1.468 5.75 0 C-N-CA 126.74 2.016 . . . . 0.0 113.841 178.972 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.442 4.5 p-10 -82.02 98.0 8.4 Favored 'General case' 0 C--N 1.414 3.393 0 C-N-CA 127.095 2.158 . . . . 0.0 115.21 -173.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.418 HG21 HG21 ' A' ' 64' ' ' VAL 0.422 26.4 m -91.61 -15.31 8.35 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.208 0 CA-C-N 112.741 -2.027 . . . . 0.0 115.124 176.548 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.307 17.0 ptm180 -44.66 -26.51 0.39 Allowed 'General case' 3 N--CA 1.583 6.179 0 C-N-CA 128.582 2.753 . . . . 0.0 118.173 -179.61 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -145.88 73.69 1.35 Allowed 'General case' 1 C--N 1.442 4.623 0 C-N-CA 129.443 3.097 . . . . 0.0 108.982 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 1.587 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.293 16.7 m -142.78 159.99 18.52 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.628 0 C-N-CA 126.756 2.022 . . . . 0.0 110.635 178.051 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -77.6 163.68 26.03 Favored 'General case' 1 N--CA 1.575 5.818 0 C-N-CA 126.59 1.956 . . . . 0.0 111.8 167.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.319 26.4 p-80 -51.0 -52.68 40.36 Favored 'General case' 2 N--CA 1.595 6.777 0 C-N-CA 125.933 1.693 . . . . 0.0 114.635 175.61 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 m -59.24 -35.94 74.56 Favored 'General case' 2 N--CA 1.567 5.394 0 C-N-CA 126.963 2.105 . . . . 0.0 113.538 176.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.38 -22.71 61.84 Favored 'General case' 2 C--N 1.452 5.031 0 C-N-CA 128.643 2.777 . . . . 0.0 114.303 174.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.6 -32.61 16.19 Favored 'General case' 1 C--N 1.46 5.386 0 C-N-CA 126.971 2.108 . . . . 0.0 112.78 175.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -75.23 -39.91 43.06 Favored 'Isoleucine or valine' 3 N--CA 1.588 6.428 0 C-N-CA 128.209 2.604 . . . . 0.0 110.721 175.67 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.8 mt-10 -65.56 -16.96 64.21 Favored 'General case' 2 N--CA 1.591 6.591 0 C-N-CA 128.019 2.528 . . . . 0.0 114.587 175.198 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.83 -28.02 55.36 Favored 'General case' 0 CA--C 1.629 3.999 0 C-N-CA 127.28 2.232 . . . . 0.0 111.748 166.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.488 ' HA ' HG13 ' A' ' 88' ' ' VAL . 1.3 mt -91.1 -45.89 8.43 Favored 'General case' 1 C--N 1.46 5.396 0 C-N-CA 126.091 1.756 . . . . 0.0 114.534 177.102 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.01 -32.83 61.72 Favored 'General case' 1 N--CA 1.547 4.4 0 C-N-CA 127.838 2.455 . . . . 0.0 114.333 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.277 40.2 mt-10 -89.8 -17.67 27.72 Favored 'General case' 2 N--CA 1.587 6.413 0 N-CA-C 119.698 3.221 . . . . 0.0 119.698 -178.116 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.76 -24.77 64.33 Favored 'General case' 3 N--CA 1.597 6.918 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.674 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.9 -34.95 4.84 Favored Glycine 1 C--N 1.421 5.272 0 N-CA-C 119.02 2.368 . . . . 0.0 119.02 165.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.3 t -177.18 -30.11 0.01 OUTLIER 'General case' 2 N--CA 1.567 5.392 0 C-N-CA 128.596 2.758 . . . . 0.0 111.032 -175.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.285 21.8 mm -123.83 116.1 47.07 Favored 'Isoleucine or valine' 1 C--N 1.442 4.599 0 C-N-CA 125.846 1.658 . . . . 0.0 109.071 -175.588 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.488 HG13 ' HA ' ' A' ' 81' ' ' LEU 0.275 0.0 OUTLIER -119.8 122.71 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.027 0 CA-C-N 111.99 -2.368 . . . . 0.0 113.362 -177.167 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.385 36.4 ptt180 -109.5 103.71 12.65 Favored 'General case' 1 N--CA 1.551 4.607 0 C-N-CA 126.958 2.103 . . . . 0.0 114.875 -178.079 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.0 141.36 32.92 Favored 'General case' 0 N--CA 1.532 3.638 0 C-N-CA 127.69 2.396 . . . . 0.0 113.69 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -120.14 112.33 18.96 Favored 'General case' 0 C--O 1.3 3.717 0 C-N-CA 126.708 2.003 . . . . 0.0 111.525 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.254 33.4 m -105.3 160.12 5.45 Favored 'Isoleucine or valine' 2 N--CA 1.572 5.641 0 O-C-N 126.458 2.349 . . . . 0.0 115.25 -175.781 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.302 25.5 ptt? -127.13 116.77 21.18 Favored 'General case' 2 N--CA 1.563 5.198 0 C-N-CA 127.809 2.444 . . . . 0.0 114.017 -175.164 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -130.9 156.63 44.74 Favored 'General case' 0 CA--C 1.628 3.96 0 C-N-CA 126.999 2.119 . . . . 0.0 109.788 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -100.26 146.66 26.64 Favored 'General case' 1 N--CA 1.55 4.575 0 C-N-CA 127.316 2.246 . . . . 0.0 113.869 177.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -64.42 123.06 81.64 Favored Pre-proline 3 N--CA 1.571 5.603 0 C-N-CA 127.91 2.484 . . . . 0.0 115.417 -179.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -74.72 141.45 27.55 Favored 'Trans proline' 3 C--N 1.55 11.146 0 C-N-CA 123.62 2.88 . . . . 0.0 116.552 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -69.06 -32.42 21.54 Favored 'Trans proline' 3 C--N 1.548 11.027 0 C-N-CA 123.841 3.027 . . . . 0.0 117.538 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.449 4.904 0 C-N-CA 126.514 1.925 . . . . 0.0 112.688 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.367 7.6 p . . . . . 0 N--CA 1.513 2.705 0 CA-C-O 118.603 -0.713 . . . . 0.0 112.675 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.57 12.1 m -103.52 62.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.534 3.772 0 CA-C-O 123.302 1.525 . . . . 0.0 111.971 167.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.482 ' HB2' ' HB2' ' A' ' 30' ' ' PRO 0.35 74.7 m -57.16 8.72 0.01 OUTLIER 'General case' 2 N--CA 1.561 5.104 0 N-CA-C 121.588 3.922 . . . . 0.0 121.588 -177.463 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.297 0.0 OUTLIER -108.82 156.41 19.67 Favored 'General case' 0 C--N 1.419 3.603 0 N-CA-C 116.734 2.124 . . . . 0.0 116.734 179.52 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -87.55 -30.45 20.53 Favored 'General case' 2 CA--C 1.64 4.413 0 C-N-CA 128.516 2.726 . . . . 0.0 113.452 171.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' A' ' 24' ' ' ALA 0.629 10.4 tp 56.66 76.57 0.08 OUTLIER 'Isoleucine or valine' 2 N--CA 1.575 5.821 0 C-N-CA 130.518 3.527 . . . . 0.0 115.56 -179.383 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 73.2 m -124.01 19.04 9.25 Favored 'General case' 2 N--CA 1.583 6.183 0 CA-C-N 112.082 -2.326 . . . . 0.0 115.046 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 48.9 m -94.05 -178.53 4.67 Favored 'General case' 2 N--CA 1.549 4.509 0 C-N-CA 126.807 2.043 . . . . 0.0 116.035 -170.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 1.546 ' CA ' ' CB ' ' B' ' 9' ' ' VAL . 3.3 t . . . . . 3 C--N 1.461 5.416 0 C-N-CA 126.848 2.059 . . . . 0.0 107.596 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.58 0 CA-C-O 119.469 -0.628 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.38 124.71 53.09 Favored 'General case' 0 C--N 1.426 3.914 0 C-N-CA 126.276 1.831 . . . . 0.0 112.874 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -114.62 140.25 48.97 Favored 'General case' 1 N--CA 1.539 4.012 0 C-N-CA 126.343 1.857 . . . . 0.0 113.574 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -109.07 166.82 10.55 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 126.777 2.031 . . . . 0.0 112.785 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.274 18.1 ptt? -106.01 160.02 15.61 Favored 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 128.72 2.808 . . . . 0.0 114.013 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.324 10.4 pt-20 -127.27 122.18 33.18 Favored 'General case' 1 N--CA 1.551 4.618 0 C-N-CA 127.206 2.202 . . . . 0.0 112.891 -176.576 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -102.19 142.73 32.96 Favored 'General case' 1 N--CA 1.549 4.501 0 C-N-CA 126.145 1.778 . . . . 0.0 113.043 -177.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -126.96 131.49 51.06 Favored 'General case' 1 C--N 1.434 4.251 0 C-N-CA 124.712 1.205 . . . . 0.0 110.884 -177.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.295 11.6 pt-20 -105.97 113.25 26.69 Favored 'General case' 0 C--N 1.422 3.728 0 C-N-CA 126.454 1.902 . . . . 0.0 112.407 175.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -111.46 136.59 47.08 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.284 0 C-N-CA 124.742 1.217 . . . . 0.0 109.136 -178.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -121.95 116.19 23.9 Favored 'General case' 0 N--CA 1.528 3.448 0 C-N-CA 125.76 1.624 . . . . 0.0 107.694 173.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.12 145.59 44.77 Favored 'General case' 0 C--N 1.406 3.035 0 C-N-CA 126.949 2.1 . . . . 0.0 112.012 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -93.96 122.57 36.6 Favored 'General case' 1 N--CA 1.545 4.277 0 C-N-CA 126.571 1.948 . . . . 0.0 107.409 172.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.338 53.4 mtp180 -55.18 114.24 1.7 Allowed 'General case' 1 N--CA 1.551 4.614 0 C-N-CA 128.514 2.726 . . . . 0.0 117.622 -172.013 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.501 ' H ' HD11 ' A' ' 19' ' ' LEU . . . -67.54 159.45 50.42 Favored Glycine 3 N--CA 1.552 6.426 0 CA-C-N 113.015 -1.902 . . . . 0.0 117.755 -177.773 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.293 30.3 p30 -68.55 -30.17 68.89 Favored 'General case' 1 N--CA 1.575 5.789 0 C-N-CA 127.386 2.274 . . . . 0.0 116.232 -179.328 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.3 m -95.78 -19.68 19.44 Favored 'General case' 0 N--CA 1.538 3.957 0 C-N-CA 127.467 2.307 . . . . 0.0 113.249 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.81 60.45 0.43 Allowed Glycine 1 C--N 1.453 7.031 0 C-N-CA 126.199 1.857 . . . . 0.0 110.79 -177.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD11 ' H ' ' A' ' 15' ' ' GLY 0.516 2.6 mm? 70.5 -86.2 0.03 OUTLIER 'General case' 1 C--N 1.447 4.82 0 C-N-CA 130.258 3.423 . . . . 0.0 114.709 -171.952 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.43 38.03 0.02 OUTLIER Glycine 0 C--N 1.395 3.806 0 C-N-CA 126.066 1.793 . . . . 0.0 113.401 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -156.19 170.28 22.6 Favored 'General case' 1 C--N 1.449 4.918 0 C-N-CA 128.547 2.739 . . . . 0.0 109.133 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 67.3 m -137.13 145.28 43.64 Favored 'General case' 1 C--N 1.444 4.69 0 C-N-CA 125.057 1.343 . . . . 0.0 111.028 169.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.503 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.545 2.3 pp -119.37 124.57 73.25 Favored 'Isoleucine or valine' 2 N--CA 1.57 5.533 0 N-CA-C 119.389 3.107 . . . . 0.0 119.389 -174.588 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.501 ' HB3' HD11 ' B' ' 6' ' ' ILE . . . -107.17 117.72 34.8 Favored 'General case' 1 C--N 1.44 4.518 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.006 -176.682 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.34 158.67 31.52 Favored Glycine 0 N--CA 1.512 3.709 0 C-N-CA 125.909 1.718 . . . . 0.0 113.229 -175.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.31 147.5 6.29 Favored Glycine 1 C--N 1.399 4.044 0 N-CA-C 118.366 2.106 . . . . 0.0 118.366 -171.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.251 8.5 p -101.87 -38.08 7.98 Favored 'General case' 1 N--CA 1.559 4.982 0 C-N-CA 126.342 1.857 . . . . 0.0 113.219 166.349 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -103.23 -36.29 8.14 Favored 'General case' 1 C--N 1.432 4.185 0 C-N-CA 125.885 1.674 . . . . 0.0 112.548 176.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.254 45.7 m-80 -101.42 101.3 16.55 Favored Pre-proline 2 CA--C 1.655 4.999 0 C-N-CA 127.238 2.215 . . . . 0.0 112.641 179.651 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.66 160.46 46.37 Favored 'Trans proline' 3 C--N 1.548 11.06 0 C-N-CA 124.175 3.25 . . . . 0.0 118.223 -176.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . 0.282 71.7 t60 -112.51 -43.1 3.54 Favored 'General case' 1 C--N 1.444 4.683 0 C-N-CA 125.18 1.392 . . . . 0.0 113.193 167.989 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.389 5.4 tp -126.09 23.43 3.21 Favored 'Isoleucine or valine' 1 CA--C 1.665 5.382 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -173.597 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.05 -70.2 0.41 Allowed Glycine 1 C--N 1.407 4.514 0 C-N-CA 125.554 1.55 . . . . 0.0 113.612 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -161.34 17.99 0.11 Allowed 'General case' 2 N--CA 1.572 5.67 0 C-N-CA 129.418 3.087 . . . . 0.0 113.36 -178.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.38 131.46 88.38 Favored Pre-proline 3 CA--C 1.656 5.046 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -170.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -73.93 -18.76 21.34 Favored 'Trans proline' 3 C--N 1.559 11.618 0 C-N-CA 124.442 3.428 . . . . 0.0 119.345 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.2 t -80.5 142.1 34.53 Favored 'General case' 2 N--CA 1.556 4.864 0 C-N-CA 126.792 2.037 . . . . 0.0 113.708 -175.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.278 0.7 OUTLIER -97.87 120.72 47.57 Favored 'Isoleucine or valine' 3 C--N 1.442 4.589 0 C-N-CA 125.844 1.658 . . . . 0.0 109.716 -177.401 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -126.83 149.25 49.8 Favored 'General case' 1 N--CA 1.54 4.068 0 C-N-CA 129.467 3.107 . . . . 0.0 112.002 -170.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -88.14 141.12 14.75 Favored 'Isoleucine or valine' 2 C--N 1.453 5.101 0 C-N-CA 125.93 1.692 . . . . 0.0 109.967 175.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.315 9.6 p -143.44 -29.43 0.52 Allowed 'General case' 1 N--CA 1.554 4.766 0 C-N-CA 127.363 2.265 . . . . 0.0 114.0 -177.837 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.9 tmtt? -121.38 125.05 46.01 Favored 'General case' 1 C--N 1.466 5.659 0 O-C-N 123.917 0.76 . . . . 0.0 111.206 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 1.63 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 43.4 mm -123.87 127.71 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.606 3.1 0 C-N-CA 126.988 2.115 . . . . 0.0 108.012 174.195 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.1 mp -83.74 124.1 75.43 Favored Pre-proline 1 CA--C 1.679 5.921 0 C-N-CA 126.163 1.785 . . . . 0.0 109.672 173.698 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.28 -19.96 66.11 Favored 'Trans proline' 3 C--N 1.54 10.612 0 C-N-CA 124.509 3.473 . . . . 0.0 117.779 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.97 41.23 1.53 Allowed Glycine 1 C--N 1.425 5.515 0 CA-C-O 118.272 -1.293 . . . . 0.0 115.601 176.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.71 -178.02 39.56 Favored Glycine 2 C--N 1.443 6.526 0 C-N-CA 125.333 1.444 . . . . 0.0 115.436 173.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.0 -38.58 27.29 Favored 'General case' 1 N--CA 1.543 4.218 0 C-N-CA 127.932 2.493 . . . . 0.0 116.104 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.44 -25.36 36.19 Favored 'General case' 2 N--CA 1.556 4.855 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 177.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.23 -45.85 11.6 Favored 'General case' 1 C--N 1.453 5.087 0 C-N-CA 127.81 2.444 . . . . 0.0 114.036 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -90.33 -51.45 5.42 Favored 'General case' 1 C--N 1.451 4.999 0 C-N-CA 127.584 2.354 . . . . 0.0 114.938 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.73 -31.37 16.59 Favored 'General case' 1 C--N 1.455 5.165 0 N-CA-C 117.071 2.248 . . . . 0.0 117.071 -174.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.64 -74.16 1.28 Allowed Glycine 2 C--N 1.468 7.892 0 CA-C-O 117.412 -1.771 . . . . 0.0 117.199 -175.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.251 43.8 mtp180 166.25 -23.06 0.0 OUTLIER 'General case' 2 N--CA 1.621 8.086 0 C-N-CA 130.437 3.495 . . . . 0.0 114.019 178.686 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.64 128.5 36.47 Favored 'General case' 1 C--N 1.458 5.301 0 N-CA-C 117.325 2.343 . . . . 0.0 117.325 -163.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.64 153.43 26.38 Favored 'General case' 0 N--CA 1.523 3.196 0 C-N-CA 128.939 2.896 . . . . 0.0 111.068 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.49 HG21 HG12 ' A' ' 43' ' ' ILE . 7.3 p -55.56 -25.63 18.21 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.452 0 C-N-CA 129.794 3.237 . . . . 0.0 116.112 179.087 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -91.61 8.47 36.59 Favored 'General case' 1 CA--C 1.664 5.354 0 C-N-CA 128.783 2.833 . . . . 0.0 112.382 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.19 -36.41 24.7 Favored 'General case' 2 C--N 1.488 6.588 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.251 50.7 m 45.44 118.71 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.798 0 C-N-CA 129.279 3.032 . . . . 0.0 116.619 178.45 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.501 HG21 HG22 ' A' ' 64' ' ' VAL . 6.7 mt -85.53 128.94 38.72 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.267 0 C-N-CA 124.845 1.258 . . . . 0.0 110.716 -174.77 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.25 1.5 pt? -95.92 -42.84 8.1 Favored 'General case' 0 C--N 1.425 3.877 0 O-C-N 125.162 1.539 . . . . 0.0 112.767 169.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -132.35 123.39 26.7 Favored 'General case' 1 C--N 1.451 4.987 0 O-C-N 124.867 1.354 . . . . 0.0 113.125 -176.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.504 ' O ' HG21 ' A' ' 67' ' ' VAL 0.375 2.8 p -120.9 129.71 75.4 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.26 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.348 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t30 74.87 0.53 3.57 Favored 'General case' 2 N--CA 1.627 8.417 0 C-N-CA 128.752 2.821 . . . . 0.0 111.089 -171.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.389 11.8 mm-40 86.57 15.33 0.11 Allowed 'General case' 3 N--CA 1.571 5.591 0 C-N-CA 131.452 3.901 . . . . 0.0 111.845 -161.115 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 64' ' ' VAL 0.353 5.0 m -93.15 155.12 3.16 Favored 'Isoleucine or valine' 1 C--N 1.477 6.12 0 C-N-CA 126.498 1.919 . . . . 0.0 113.05 -177.822 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.438 4.4 p30 -83.75 92.71 7.79 Favored 'General case' 0 C--N 1.403 2.909 0 O-C-N 126.063 2.102 . . . . 0.0 114.544 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.486 30.2 m -89.84 -7.32 10.82 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.273 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 177.251 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.292 17.0 ptm180 -46.97 -25.94 0.9 Allowed 'General case' 2 N--CA 1.582 6.137 0 C-N-CA 128.521 2.728 . . . . 0.0 118.192 178.294 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.12 77.13 1.07 Allowed 'General case' 1 C--N 1.445 4.754 0 C-N-CA 128.562 2.745 . . . . 0.0 107.325 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 18.8 m -142.56 162.68 18.37 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.902 0 C-N-CA 127.166 2.186 . . . . 0.0 110.935 178.586 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 p -78.66 165.23 23.88 Favored 'General case' 1 N--CA 1.572 5.654 0 C-N-CA 126.966 2.106 . . . . 0.0 111.822 166.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.269 54.3 p-80 -51.25 -53.23 37.39 Favored 'General case' 2 N--CA 1.6 7.06 0 C-N-CA 126.371 1.868 . . . . 0.0 114.218 175.532 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -57.71 -38.12 74.7 Favored 'General case' 2 N--CA 1.563 5.199 0 C-N-CA 127.028 2.131 . . . . 0.0 114.084 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.32 -23.0 63.73 Favored 'General case' 1 C--N 1.445 4.74 0 C-N-CA 129.039 2.935 . . . . 0.0 114.39 175.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.62 -33.99 15.63 Favored 'General case' 1 C--N 1.461 5.449 0 C-N-CA 126.75 2.02 . . . . 0.0 113.164 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.81 -42.8 53.96 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.728 0 C-N-CA 127.512 2.325 . . . . 0.0 111.549 177.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.87 -19.12 65.77 Favored 'General case' 1 N--CA 1.571 5.605 0 C-N-CA 128.931 2.892 . . . . 0.0 115.069 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.67 60.4 Favored 'General case' 1 C--N 1.435 4.298 0 C-N-CA 127.789 2.436 . . . . 0.0 112.356 168.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -91.42 -34.89 14.67 Favored 'General case' 2 C--N 1.458 5.317 0 C-N-CA 127.285 2.234 . . . . 0.0 113.261 176.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -78.76 -24.89 44.46 Favored 'General case' 1 C--N 1.431 4.141 0 C-N-CA 127.805 2.442 . . . . 0.0 113.294 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.358 11.1 pt-20 -70.09 -43.0 71.98 Favored 'General case' 2 N--CA 1.575 5.794 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 174.132 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HB1' HG22 ' A' ' 88' ' ' VAL . . . -63.01 -23.12 67.3 Favored 'General case' 1 C--N 1.454 5.13 0 C-N-CA 126.051 1.74 . . . . 0.0 114.898 -176.519 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.03 -34.31 1.7 Allowed Glycine 1 C--N 1.423 5.416 0 N-CA-C 121.788 3.475 . . . . 0.0 121.788 170.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -156.67 -30.83 0.09 Allowed 'General case' 0 N--CA 1.535 3.81 0 C-N-CA 127.473 2.309 . . . . 0.0 111.886 -169.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.276 30.3 mm -130.88 99.91 4.42 Favored 'Isoleucine or valine' 2 C--N 1.44 4.516 0 C-N-CA 125.781 1.632 . . . . 0.0 108.236 -173.983 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.409 HG22 ' HB1' ' A' ' 84' ' ' ALA 0.313 0.8 OUTLIER -107.0 126.54 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.353 0 O-C-N 125.941 2.026 . . . . 0.0 114.123 -177.23 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.398 37.9 ptt180 -115.51 99.65 7.51 Favored 'General case' 1 N--CA 1.557 4.922 0 C-N-CA 125.997 1.719 . . . . 0.0 115.134 -176.797 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.59 141.01 31.96 Favored 'General case' 0 N--CA 1.529 3.49 0 C-N-CA 128.044 2.538 . . . . 0.0 113.588 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -120.96 113.0 19.47 Favored 'General case' 0 C--O 1.298 3.612 0 C-N-CA 126.81 2.044 . . . . 0.0 111.142 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 33.1 m -107.32 159.36 6.95 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.27 0 O-C-N 126.684 2.49 . . . . 0.0 115.131 -174.546 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.36 0.0 OUTLIER -124.67 119.21 28.34 Favored 'General case' 2 N--CA 1.562 5.154 0 C-N-CA 127.1 2.16 . . . . 0.0 114.748 -176.498 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -126.51 158.61 35.7 Favored 'General case' 0 N--CA 1.538 3.938 0 C-N-CA 128.477 2.711 . . . . 0.0 110.926 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -100.29 152.81 19.87 Favored 'General case' 1 N--CA 1.543 4.223 0 C-N-CA 126.99 2.116 . . . . 0.0 113.918 174.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -84.64 125.37 71.51 Favored Pre-proline 2 CA--C 1.648 4.734 0 C-N-CA 127.014 2.126 . . . . 0.0 114.036 -177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -74.06 139.81 27.42 Favored 'Trans proline' 3 C--N 1.552 11.253 0 C-N-CA 123.611 2.874 . . . . 0.0 116.408 176.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -71.14 137.08 30.75 Favored 'Trans proline' 3 C--N 1.55 11.166 0 C-N-CA 123.779 2.986 . . . . 0.0 116.568 176.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.432 4.178 0 C-N-CA 126.41 1.884 . . . . 0.0 112.801 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.376 9.3 p . . . . . 0 CA--C 1.614 3.406 0 CA-C-O 121.36 0.6 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.301 6.3 m -67.69 -20.97 26.84 Favored 'Isoleucine or valine' 2 N--CA 1.582 6.161 0 C-N-CA 129.05 2.94 . . . . 0.0 116.591 -179.68 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.8 p -136.87 94.9 3.03 Favored 'General case' 1 C--N 1.432 4.182 0 C-N-CA 127.959 2.504 . . . . 0.0 109.935 -174.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -143.92 115.44 8.11 Favored 'General case' 2 C--N 1.44 4.536 0 C-N-CA 124.455 1.102 . . . . 0.0 112.674 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.255 98.1 mtt180 -130.53 86.67 2.41 Favored 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 127.494 2.317 . . . . 0.0 107.691 164.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 1.622 ' CA ' ' CB ' ' B' ' 6' ' ' ILE 0.483 10.8 tp -100.36 -112.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.628 3.961 0 CA-C-N 112.879 -1.964 . . . . 0.0 112.036 -174.555 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.29 79.9 p 42.98 20.65 0.02 OUTLIER 'General case' 3 N--CA 1.621 8.117 0 C-N-CA 128.851 2.86 . . . . 0.0 117.716 -179.021 . . . . . . . . 3 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.503 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 72.4 m -84.48 -165.82 1.28 Allowed 'General case' 2 CA--C 1.642 4.489 0 C-N-CA 129.029 2.931 . . . . 0.0 115.087 -170.773 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 1.538 ' CA ' ' CB ' ' B' ' 9' ' ' VAL 0.262 3.2 t . . . . . 2 C--N 1.449 4.926 0 C-N-CA 126.492 1.917 . . . . 0.0 108.611 -174.767 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.303 10.8 pt-20 . . . . . 1 N--CA 1.55 4.567 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 . . . . . . . . . 2 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -100.08 143.64 30.05 Favored 'General case' 1 N--CA 1.552 4.65 0 C-N-CA 126.085 1.754 . . . . 0.0 113.539 -174.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -129.39 131.42 46.81 Favored 'General case' 2 C--N 1.439 4.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.46 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.296 11.4 pt-20 -104.93 111.59 24.41 Favored 'General case' 0 C--N 1.423 3.761 0 C-N-CA 126.496 1.918 . . . . 0.0 112.465 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -113.63 142.1 27.31 Favored 'Isoleucine or valine' 2 N--CA 1.549 4.478 0 C-N-CA 125.552 1.541 . . . . 0.0 108.756 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 m -117.14 120.96 39.91 Favored 'General case' 0 N--CA 1.536 3.837 0 C-N-CA 125.9 1.68 . . . . 0.0 108.836 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.522 3.146 0 C-N-CA 127.475 2.31 . . . . 0.0 113.758 178.836 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.524 4.56 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -156.22 172.41 18.5 Favored 'General case' 2 C--N 1.434 4.253 0 C-N-CA 128.985 2.914 . . . . 0.0 109.124 176.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 73.7 m -138.86 144.51 39.25 Favored 'General case' 1 C--N 1.445 4.749 0 C-N-CA 125.076 1.35 . . . . 0.0 110.883 168.158 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.605 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.631 2.0 pp -115.47 127.35 73.08 Favored 'Isoleucine or valine' 2 N--CA 1.553 4.723 0 N-CA-C 119.92 3.304 . . . . 0.0 119.92 -175.15 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.34 117.52 34.22 Favored 'General case' 1 C--N 1.448 4.89 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.12 -178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.84 161.16 26.6 Favored Glycine 0 N--CA 1.512 3.719 0 O-C-N 124.552 1.157 . . . . 0.0 114.699 -174.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.29 162.27 26.29 Favored Glycine 0 C--N 1.397 3.918 0 N-CA-C 117.042 1.577 . . . . 0.0 117.042 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.3 p -104.62 -38.35 6.77 Favored 'General case' 1 N--CA 1.556 4.868 0 C-N-CA 127.098 2.159 . . . . 0.0 111.902 164.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.09 -30.34 9.33 Favored 'General case' 1 C--N 1.436 4.328 0 C-N-CA 126.568 1.947 . . . . 0.0 113.183 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 . . . . . 2 CA--C 1.661 5.231 0 C-N-CA 127.011 2.124 . . . . 0.0 113.101 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 p . . . . . 1 N--CA 1.549 4.507 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.273 1.0 OUTLIER -96.34 119.27 44.18 Favored 'Isoleucine or valine' 3 C--N 1.451 5.013 0 C-N-CA 125.797 1.639 . . . . 0.0 109.611 -178.276 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -121.25 147.13 46.06 Favored 'General case' 1 N--CA 1.542 4.142 0 C-N-CA 129.585 3.154 . . . . 0.0 112.079 -170.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.59 139.64 17.05 Favored 'Isoleucine or valine' 2 C--N 1.45 4.977 0 C-N-CA 125.873 1.669 . . . . 0.0 110.349 176.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.384 13.8 p -145.81 -24.95 0.46 Allowed 'General case' 1 N--CA 1.556 4.86 0 C-N-CA 127.239 2.216 . . . . 0.0 114.239 -179.598 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.1 tmtm? -121.38 125.63 47.43 Favored 'General case' 1 C--N 1.472 5.907 0 CA-C-N 118.439 0.563 . . . . 0.0 111.043 177.719 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.636 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 43.2 mm -123.92 129.62 74.24 Favored 'Isoleucine or valine' 0 C--N 1.415 3.431 0 C-N-CA 126.867 2.067 . . . . 0.0 108.647 173.676 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.291 3.2 mp -83.86 131.02 52.98 Favored Pre-proline 2 CA--C 1.678 5.903 0 C-N-CA 126.391 1.877 . . . . 0.0 110.517 172.62 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.96 -21.44 63.83 Favored 'Trans proline' 3 C--N 1.538 10.503 0 C-N-CA 124.168 3.245 . . . . 0.0 117.649 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.58 38.7 1.95 Allowed Glycine 1 C--N 1.429 5.723 0 CA-C-O 117.911 -1.494 . . . . 0.0 116.397 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.53 -178.12 38.37 Favored Glycine 2 C--N 1.444 6.536 0 C-N-CA 124.937 1.256 . . . . 0.0 115.898 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.01 -37.63 28.85 Favored 'General case' 0 N--CA 1.539 3.977 0 C-N-CA 128.472 2.709 . . . . 0.0 115.778 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.42 -23.61 37.43 Favored 'General case' 2 N--CA 1.56 5.037 0 C-N-CA 126.755 2.022 . . . . 0.0 116.069 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.04 -42.89 16.94 Favored 'General case' 1 C--N 1.447 4.825 0 C-N-CA 127.403 2.281 . . . . 0.0 113.242 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -91.24 -57.24 2.86 Favored 'General case' 1 C--N 1.451 4.987 0 C-N-CA 127.309 2.244 . . . . 0.0 115.215 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.71 -33.15 15.88 Favored 'General case' 2 C--N 1.46 5.37 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 -172.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.52 -50.8 3.88 Favored Glycine 2 C--N 1.438 6.225 0 N-CA-C 117.308 1.683 . . . . 0.0 117.308 -173.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.593 99.3 mtt180 91.61 53.0 0.0 OUTLIER 'General case' 2 N--CA 1.574 5.725 0 C-N-CA 130.707 3.603 . . . . 0.0 116.745 -179.31 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.25 129.19 56.05 Favored 'General case' 0 C--N 1.415 3.454 0 C-N-CA 127.712 2.405 . . . . 0.0 111.21 170.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -111.1 154.39 24.34 Favored 'General case' 0 N--CA 1.525 3.321 0 C-N-CA 127.513 2.325 . . . . 0.0 110.794 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.52 -28.87 16.3 Favored 'Isoleucine or valine' 2 N--CA 1.569 5.478 0 C-N-CA 129.476 3.11 . . . . 0.0 115.983 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.283 9.7 p30 -91.13 8.62 34.71 Favored 'General case' 1 CA--C 1.656 5.054 0 C-N-CA 128.613 2.765 . . . . 0.0 113.798 178.612 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 2.0 m-20 -87.64 -31.87 19.55 Favored 'General case' 2 C--N 1.487 6.583 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -179.213 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m 46.84 121.02 0.0 OUTLIER 'General case' 2 N--CA 1.599 6.982 0 C-N-CA 129.098 2.959 . . . . 0.0 116.289 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.481 HG21 HG13 ' A' ' 64' ' ' VAL 0.278 35.1 mt -85.95 131.34 34.72 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.949 0 C-N-CA 124.371 1.068 . . . . 0.0 111.159 -175.441 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.272 1.6 pt? -98.67 -46.91 5.53 Favored 'General case' 0 C--N 1.425 3.871 0 O-C-N 124.975 1.422 . . . . 0.0 112.018 167.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -131.26 134.95 46.92 Favored 'General case' 1 C--N 1.447 4.81 0 O-C-N 125.143 1.527 . . . . 0.0 112.7 -176.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.481 HG13 HG21 ' A' ' 61' ' ' ILE 0.434 0.4 OUTLIER -121.62 141.59 41.43 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.12 0 C-N-CA 124.735 1.214 . . . . 0.0 110.987 172.347 . . . . . . . . 5 4 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 73.87 -5.3 2.06 Favored 'General case' 2 N--CA 1.606 7.37 0 C-N-CA 127.679 2.391 . . . . 0.0 114.975 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.556 12.7 pt-20 82.48 12.61 0.54 Allowed 'General case' 3 N--CA 1.578 5.958 1 C-N-CA 131.775 4.03 . . . . 0.0 112.043 -156.914 . . . . . . . . 4 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 64' ' ' VAL 0.276 0.3 OUTLIER -98.43 150.38 4.9 Favored 'Isoleucine or valine' 1 C--N 1.451 4.991 0 C-N-CA 129.593 3.157 . . . . 0.0 111.214 -177.941 . . . . . . . . 5 4 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.375 4.3 p-10 -84.61 96.26 9.13 Favored 'General case' 0 C--N 1.407 3.069 0 C-N-CA 127.923 2.489 . . . . 0.0 114.108 -173.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.498 HG22 HG21 ' A' ' 72' ' ' VAL 0.348 0.6 OUTLIER -99.65 -2.59 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.691 0 CA-C-N 111.33 -2.668 . . . . 0.0 113.215 179.292 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -58.0 -21.12 43.26 Favored 'General case' 2 N--CA 1.578 5.949 0 C-N-CA 127.691 2.396 . . . . 0.0 115.609 175.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -155.85 81.41 1.01 Allowed 'General case' 1 C--N 1.457 5.261 0 C-N-CA 129.131 2.972 . . . . 0.0 109.503 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.498 HG21 HG22 ' A' ' 69' ' ' VAL . 35.5 m -146.46 163.35 9.29 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.432 0 C-N-CA 127.982 2.513 . . . . 0.0 109.94 178.709 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 p -76.11 161.94 28.43 Favored 'General case' 1 N--CA 1.563 5.221 0 C-N-CA 125.897 1.679 . . . . 0.0 111.97 164.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -46.22 -56.73 5.31 Favored 'General case' 4 N--CA 1.583 6.217 0 C-N-CA 128.855 2.862 . . . . 0.0 112.287 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.7 p -58.58 -34.76 71.45 Favored 'General case' 2 C--N 1.455 5.181 0 C-N-CA 127.23 2.212 . . . . 0.0 114.382 176.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.47 -23.73 61.09 Favored 'General case' 1 C--N 1.444 4.715 0 C-N-CA 128.807 2.843 . . . . 0.0 114.401 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.81 -29.24 17.69 Favored 'General case' 1 C--N 1.467 5.706 0 C-N-CA 125.949 1.7 . . . . 0.0 113.195 172.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.4 t -73.19 -39.97 57.11 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.762 0 C-N-CA 127.043 2.137 . . . . 0.0 111.199 172.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 7.9 mm-40 -67.69 -16.03 63.94 Favored 'General case' 1 N--CA 1.597 6.88 0 C-N-CA 128.464 2.706 . . . . 0.0 115.512 177.576 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.56 -29.37 52.14 Favored 'General case' 0 CA--C 1.625 3.859 0 C-N-CA 126.629 1.972 . . . . 0.0 111.373 165.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.548 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.269 11.7 mt -92.78 -33.95 14.08 Favored 'General case' 1 C--N 1.459 5.368 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -178.489 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -87.2 -36.47 17.98 Favored 'General case' 1 N--CA 1.54 4.063 0 C-N-CA 127.751 2.421 . . . . 0.0 114.244 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.274 37.3 mt-10 -85.16 -22.42 28.8 Favored 'General case' 2 N--CA 1.588 6.473 0 N-CA-C 119.197 3.036 . . . . 0.0 119.197 -178.045 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -22.18 62.08 Favored 'General case' 3 N--CA 1.583 6.216 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.79 -34.99 5.05 Favored Glycine 1 C--N 1.427 5.628 0 N-CA-C 120.488 2.955 . . . . 0.0 120.488 164.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 t -167.17 -30.39 0.02 OUTLIER 'General case' 1 N--CA 1.555 4.777 0 C-N-CA 127.965 2.506 . . . . 0.0 111.218 -173.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.267 28.4 mm -125.64 122.54 62.59 Favored 'Isoleucine or valine' 1 C--N 1.439 4.469 0 C-N-CA 125.375 1.47 . . . . 0.0 109.812 -177.92 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.391 21.9 m -124.26 118.15 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.916 0 C-N-CA 127.155 2.182 . . . . 0.0 112.176 176.686 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.419 37.9 ptt180 -110.39 100.06 8.97 Favored 'General case' 1 N--CA 1.561 5.112 0 C-N-CA 125.941 1.696 . . . . 0.0 115.005 -175.22 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -96.59 139.27 32.93 Favored 'General case' 0 N--CA 1.533 3.682 0 C-N-CA 128.012 2.525 . . . . 0.0 115.081 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -119.78 112.8 19.71 Favored 'General case' 1 C--O 1.324 5.021 0 C-N-CA 127.051 2.14 . . . . 0.0 111.14 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.263 32.4 m -106.4 158.0 6.66 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.109 0 O-C-N 127.08 2.737 . . . . 0.0 114.91 -176.903 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.29 25.8 ptt? -128.03 115.96 19.28 Favored 'General case' 1 N--CA 1.563 5.216 0 C-N-CA 128.094 2.558 . . . . 0.0 114.09 -176.04 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.343 38.4 ptt180 . . . . . 1 N--CA 1.554 4.743 0 C-N-CA 126.357 1.863 . . . . 0.0 113.247 179.613 . . . . . . . . 2 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.605 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 69.0 m . . . . . 0 CA--C 1.629 3.988 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.439 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.25 3.4 t . . . . . 1 C--N 1.435 4.325 0 C-N-CA 127.157 2.183 . . . . 0.0 109.364 -177.11 . . . . . . . . 2 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.339 10.6 pt-20 . . . . . 1 N--CA 1.549 4.477 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 2 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -104.66 145.15 30.75 Favored 'General case' 1 N--CA 1.545 4.313 0 C-N-CA 126.2 1.8 . . . . 0.0 113.358 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -123.47 131.99 53.8 Favored 'General case' 2 N--CA 1.549 4.521 0 C-N-CA 125.6 1.56 . . . . 0.0 114.007 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.299 12.0 pt-20 -108.75 109.04 20.09 Favored 'General case' 0 C--N 1.427 3.952 0 C-N-CA 125.738 1.615 . . . . 0.0 111.874 173.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -114.57 142.42 27.39 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.026 0 O-C-N 124.755 1.284 . . . . 0.0 110.84 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.253 0.8 OUTLIER -113.62 125.93 54.71 Favored 'General case' 2 N--CA 1.55 4.557 0 C-N-CA 127.084 2.153 . . . . 0.0 114.061 173.521 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.534 3.738 0 C-N-CA 127.362 2.265 . . . . 0.0 113.433 176.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.062 0 N-CA-C 118.163 2.025 . . . . 0.0 118.163 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -161.56 168.86 22.8 Favored 'General case' 3 N--CA 1.543 4.218 0 C-N-CA 128.576 2.75 . . . . 0.0 109.329 169.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.3 m -134.93 144.77 47.65 Favored 'General case' 1 C--N 1.448 4.857 0 C-N-CA 125.463 1.505 . . . . 0.0 110.809 169.409 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.482 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.572 2.2 pp -120.99 129.9 75.23 Favored 'Isoleucine or valine' 2 N--CA 1.576 5.855 0 N-CA-C 120.283 3.438 . . . . 0.0 120.283 -174.083 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.11 119.1 38.25 Favored 'General case' 1 C--N 1.445 4.722 0 CA-C-N 113.492 -1.686 . . . . 0.0 111.856 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.42 162.42 30.65 Favored Glycine 0 C--N 1.394 3.792 0 O-C-N 124.922 1.389 . . . . 0.0 114.734 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.65 132.14 1.55 Allowed Glycine 1 C--N 1.413 4.829 0 N-CA-C 119.094 2.398 . . . . 0.0 119.094 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.315 7.9 p -97.58 -33.58 11.29 Favored 'General case' 1 N--CA 1.561 5.076 0 C-N-CA 125.005 1.322 . . . . 0.0 113.247 161.0 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.43 2.2 p30 -113.01 -29.03 7.48 Favored 'General case' 1 C--N 1.445 4.753 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 174.137 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 2 CA--C 1.649 4.762 0 C-N-CA 126.587 1.955 . . . . 0.0 113.239 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 1 N--CA 1.554 4.731 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.269 0.8 OUTLIER -97.36 120.92 47.31 Favored 'Isoleucine or valine' 3 C--N 1.443 4.661 0 C-N-CA 125.465 1.506 . . . . 0.0 109.696 -178.042 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -125.63 158.85 33.66 Favored 'General case' 3 N--CA 1.547 4.387 0 C-N-CA 127.456 2.302 . . . . 0.0 111.746 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -88.55 142.84 12.34 Favored 'Isoleucine or valine' 1 C--N 1.46 5.4 0 C-N-CA 126.139 1.776 . . . . 0.0 109.449 172.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.304 2.9 p -145.29 -26.5 0.47 Allowed 'General case' 1 N--CA 1.559 5.005 0 C-N-CA 127.554 2.342 . . . . 0.0 113.771 -177.261 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.9 tmtm? -126.33 129.73 49.42 Favored 'General case' 1 C--N 1.468 5.732 0 C-N-CA 123.538 0.735 . . . . 0.0 110.833 178.304 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.627 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 43.7 mm -124.91 131.21 72.89 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.313 0 C-N-CA 127.142 2.177 . . . . 0.0 108.805 174.53 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.297 3.7 mp -82.13 131.26 56.96 Favored Pre-proline 2 CA--C 1.678 5.898 0 C-N-CA 125.993 1.717 . . . . 0.0 110.775 171.812 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.94 -22.66 55.43 Favored 'Trans proline' 3 C--N 1.536 10.431 0 C-N-CA 124.228 3.285 . . . . 0.0 117.451 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.7 43.45 1.29 Allowed Glycine 1 C--N 1.429 5.696 0 O-C-N 124.795 1.309 . . . . 0.0 115.625 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.65 -177.84 32.43 Favored Glycine 2 C--N 1.437 6.189 0 C-N-CA 125.514 1.531 . . . . 0.0 115.284 174.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.72 -35.74 33.06 Favored 'General case' 1 N--CA 1.54 4.074 0 C-N-CA 127.711 2.404 . . . . 0.0 115.718 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.05 -25.83 36.8 Favored 'General case' 2 C--N 1.445 4.753 0 C-N-CA 126.792 2.037 . . . . 0.0 116.144 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.39 -42.35 15.79 Favored 'General case' 1 C--N 1.446 4.796 0 C-N-CA 127.272 2.229 . . . . 0.0 113.527 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -90.91 -57.11 2.92 Favored 'General case' 1 C--N 1.449 4.931 0 C-N-CA 127.286 2.234 . . . . 0.0 114.924 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.8 -33.73 15.59 Favored 'General case' 1 C--N 1.46 5.388 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 -173.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.7 -47.46 5.35 Favored Glycine 2 C--N 1.443 6.513 0 N-CA-C 117.343 1.697 . . . . 0.0 117.343 -174.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.56 99.0 mtt180 88.44 52.62 0.01 OUTLIER 'General case' 2 N--CA 1.576 5.873 0 C-N-CA 130.534 3.534 . . . . 0.0 116.218 -178.558 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.09 131.45 55.07 Favored 'General case' 0 C--N 1.417 3.514 0 C-N-CA 127.927 2.491 . . . . 0.0 111.528 171.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.35 156.12 22.05 Favored 'General case' 0 N--CA 1.529 3.518 0 C-N-CA 127.786 2.434 . . . . 0.0 110.463 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 p -57.04 -28.2 28.68 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.083 0 C-N-CA 128.775 2.83 . . . . 0.0 115.583 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -91.88 9.98 30.66 Favored 'General case' 1 CA--C 1.674 5.717 0 C-N-CA 128.889 2.875 . . . . 0.0 112.321 177.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.39 -34.0 18.92 Favored 'General case' 2 C--N 1.487 6.551 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.25 69.5 m 44.83 120.06 0.0 OUTLIER 'General case' 2 N--CA 1.588 6.43 0 C-N-CA 129.41 3.084 . . . . 0.0 116.878 176.387 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mt -84.98 126.46 40.31 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.973 0 C-N-CA 124.666 1.186 . . . . 0.0 110.106 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.26 1.2 pt? -91.38 -46.17 8.17 Favored 'General case' 1 C--N 1.43 4.071 0 C-N-CA 125.443 1.497 . . . . 0.0 111.837 170.691 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -129.08 128.38 43.41 Favored 'General case' 1 C--N 1.449 4.925 0 O-C-N 125.164 1.54 . . . . 0.0 113.257 -177.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.489 HG23 HG11 ' A' ' 69' ' ' VAL 0.253 3.5 t -116.07 130.51 70.67 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.086 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 -179.932 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 72.27 -1.38 2.93 Favored 'General case' 2 N--CA 1.612 7.658 0 C-N-CA 129.306 3.042 . . . . 0.0 114.902 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.396 12.0 mm-40 87.85 7.3 0.2 Allowed 'General case' 3 N--CA 1.579 6.019 0 C-N-CA 130.584 3.554 . . . . 0.0 111.717 -160.236 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.412 27.0 m -94.12 155.6 3.19 Favored 'Isoleucine or valine' 1 C--N 1.469 5.792 0 C-N-CA 127.048 2.139 . . . . 0.0 113.619 178.651 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.268 13.5 t70 -86.02 102.55 13.9 Favored 'General case' 0 C--N 1.42 3.647 0 C-N-CA 127.119 2.168 . . . . 0.0 112.013 -171.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.489 HG11 HG23 ' A' ' 64' ' ' VAL 0.315 1.0 OUTLIER -102.93 -16.75 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.438 0 CA-C-N 110.006 -3.27 . . . . 0.0 114.093 -177.94 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.338 38.7 ptt180 -52.53 -20.04 2.68 Favored 'General case' 2 N--CA 1.578 5.938 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 -179.155 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -149.28 76.85 1.34 Allowed 'General case' 1 C--N 1.436 4.365 0 C-N-CA 129.18 2.992 . . . . 0.0 109.492 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 27.9 m -143.97 167.06 12.75 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.253 0 C-N-CA 127.354 2.262 . . . . 0.0 110.272 177.772 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -79.37 162.76 25.35 Favored 'General case' 1 N--CA 1.562 5.144 0 C-N-CA 126.429 1.892 . . . . 0.0 111.522 166.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.286 56.2 p-80 -51.12 -54.18 27.56 Favored 'General case' 2 N--CA 1.6 7.038 0 C-N-CA 125.393 1.477 . . . . 0.0 114.327 176.839 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 t -61.37 -31.83 71.73 Favored 'General case' 3 N--CA 1.555 4.816 0 C-N-CA 127.232 2.213 . . . . 0.0 113.06 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.88 -23.17 60.69 Favored 'General case' 1 C--N 1.452 5.063 0 C-N-CA 128.278 2.631 . . . . 0.0 113.936 175.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.76 -33.03 15.89 Favored 'General case' 1 C--N 1.465 5.595 0 C-N-CA 126.237 1.815 . . . . 0.0 112.775 173.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.87 -40.46 78.91 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.745 0 C-N-CA 127.777 2.431 . . . . 0.0 111.124 174.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.9 mt-10 -63.33 -20.83 65.84 Favored 'General case' 2 N--CA 1.599 6.994 0 C-N-CA 127.971 2.509 . . . . 0.0 114.986 176.435 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.29 -28.25 53.33 Favored 'General case' 1 CA--C 1.632 4.097 0 C-N-CA 127.213 2.205 . . . . 0.0 112.396 168.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.49 -34.01 14.26 Favored 'General case' 2 C--N 1.457 5.249 0 C-N-CA 126.568 1.947 . . . . 0.0 114.848 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -85.93 -40.23 16.11 Favored 'General case' 1 N--CA 1.541 4.098 0 C-N-CA 127.276 2.23 . . . . 0.0 114.047 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 40.8 mt-10 -91.01 -5.09 55.82 Favored 'General case' 2 N--CA 1.583 6.189 0 N-CA-C 118.757 2.873 . . . . 0.0 118.757 -177.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.563 ' HB3' HG22 ' A' ' 88' ' ' VAL . . . -58.82 -21.84 57.39 Favored 'General case' 3 N--CA 1.588 6.47 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 178.337 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.26 -35.18 4.58 Favored Glycine 1 C--N 1.428 5.668 0 C-N-CA 126.442 1.972 . . . . 0.0 117.802 167.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.6 p 176.17 -37.71 0.01 OUTLIER 'General case' 2 N--CA 1.567 5.397 0 C-N-CA 130.17 3.388 . . . . 0.0 112.391 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.266 31.5 mm -119.01 113.13 40.53 Favored 'Isoleucine or valine' 0 C--N 1.427 3.945 0 C-N-CA 127.325 2.25 . . . . 0.0 107.901 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 84' ' ' ALA . 94.8 t -113.66 138.13 44.43 Favored 'Isoleucine or valine' 1 CA--C 1.641 4.449 0 C-N-CA 128.512 2.725 . . . . 0.0 108.769 -174.166 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.362 0.0 OUTLIER -120.49 128.13 52.85 Favored 'General case' 1 N--CA 1.545 4.297 0 C-N-CA 126.899 2.08 . . . . 0.0 113.448 176.728 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -119.79 139.97 51.49 Favored 'General case' 0 N--CA 1.536 3.833 0 C-N-CA 127.688 2.395 . . . . 0.0 112.942 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -120.25 110.45 16.59 Favored 'General case' 0 C--O 1.299 3.692 0 C-N-CA 126.326 1.85 . . . . 0.0 111.178 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.258 27.2 m -106.01 160.83 5.64 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.714 0 O-C-N 126.632 2.457 . . . . 0.0 115.272 -175.362 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.284 18.5 ptp -119.92 125.84 49.43 Favored 'General case' 1 N--CA 1.57 5.54 0 C-N-CA 127.481 2.313 . . . . 0.0 114.889 -176.741 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 1 N--CA 1.545 4.291 0 C-N-CA 127.746 2.418 . . . . 0.0 110.907 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.482 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 62.4 m . . . . . 2 N--CA 1.548 4.432 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 2 C--N 1.446 4.776 0 C-N-CA 125.831 1.652 . . . . 0.0 107.803 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.304 10.4 pt-20 . . . . . 1 N--CA 1.548 4.439 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 . . . . . . . . . 2 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.51 145.31 30.21 Favored 'General case' 1 N--CA 1.554 4.763 0 C-N-CA 125.966 1.706 . . . . 0.0 113.913 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -130.9 133.05 45.52 Favored 'General case' 2 C--N 1.444 4.699 0 C-N-CA 124.735 1.214 . . . . 0.0 111.615 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.291 11.5 pt-20 -106.46 112.86 26.05 Favored 'General case' 0 C--N 1.427 3.955 0 C-N-CA 126.378 1.871 . . . . 0.0 112.682 174.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -114.53 146.52 18.91 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.121 0 C-N-CA 125.346 1.458 . . . . 0.0 109.675 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.481 HG23 ' HB3' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -119.87 127.73 53.0 Favored 'General case' 2 N--CA 1.547 4.385 0 C-N-CA 126.291 1.837 . . . . 0.0 109.932 177.575 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 1 N--CA 1.541 4.101 0 C-N-CA 127.997 2.519 . . . . 0.0 113.868 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.537 5.38 0 N-CA-C 119.502 2.561 . . . . 0.0 119.502 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -156.45 172.66 18.13 Favored 'General case' 3 N--CA 1.548 4.472 0 C-N-CA 127.617 2.367 . . . . 0.0 109.92 176.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.508 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.2 m -137.5 142.99 41.48 Favored 'General case' 1 C--N 1.446 4.795 0 C-N-CA 125.491 1.516 . . . . 0.0 110.316 168.599 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.514 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.578 2.0 pp -119.28 131.79 70.95 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.396 0 N-CA-C 120.693 3.59 . . . . 0.0 120.693 -174.211 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.02 117.85 35.27 Favored 'General case' 1 C--N 1.446 4.787 0 CA-C-N 113.251 -1.795 . . . . 0.0 110.296 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.28 154.21 25.28 Favored Glycine 0 N--CA 1.515 3.949 0 C-N-CA 125.405 1.478 . . . . 0.0 113.61 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.3 142.61 4.37 Favored Glycine 1 C--N 1.411 4.703 0 N-CA-C 119.206 2.442 . . . . 0.0 119.206 -172.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 p -104.75 -41.22 5.72 Favored 'General case' 1 N--CA 1.553 4.71 0 C-N-CA 126.591 1.956 . . . . 0.0 112.476 163.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.99 -30.98 9.94 Favored 'General case' 1 C--N 1.434 4.254 0 C-N-CA 126.582 1.953 . . . . 0.0 113.308 177.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 2 CA--C 1.655 4.997 0 C-N-CA 127.077 2.151 . . . . 0.0 112.546 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 1 N--CA 1.558 4.968 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.306 0.6 OUTLIER -93.04 113.87 28.75 Favored 'Isoleucine or valine' 3 C--N 1.455 5.195 0 C-N-CA 125.23 1.412 . . . . 0.0 109.694 -178.121 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -122.76 144.87 48.88 Favored 'General case' 0 C--O 1.303 3.909 0 C-N-CA 129.636 3.175 . . . . 0.0 111.848 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -87.55 141.15 14.72 Favored 'Isoleucine or valine' 2 C--N 1.445 4.718 0 C-N-CA 126.049 1.74 . . . . 0.0 110.196 176.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.311 5.7 p -144.79 -28.16 0.48 Allowed 'General case' 1 N--CA 1.553 4.693 0 C-N-CA 127.316 2.246 . . . . 0.0 114.14 -176.512 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 10.5 tmtt? -125.19 126.26 44.95 Favored 'General case' 1 C--N 1.471 5.864 0 O-C-N 123.652 0.595 . . . . 0.0 111.006 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.644 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.276 44.1 mm -123.5 128.68 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.259 0 C-N-CA 127.002 2.121 . . . . 0.0 108.438 175.083 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.303 3.2 mp -83.42 130.73 55.23 Favored Pre-proline 2 CA--C 1.681 6.003 0 C-N-CA 126.156 1.783 . . . . 0.0 110.924 174.597 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.81 -23.22 69.01 Favored 'Trans proline' 3 C--N 1.54 10.644 0 C-N-CA 124.439 3.426 . . . . 0.0 117.562 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.47 41.89 1.47 Allowed Glycine 1 C--N 1.43 5.76 0 CA-C-O 118.234 -1.315 . . . . 0.0 115.651 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.67 -177.49 33.9 Favored Glycine 2 C--N 1.439 6.258 0 C-N-CA 125.491 1.52 . . . . 0.0 115.587 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.67 -36.26 32.63 Favored 'General case' 1 N--CA 1.543 4.186 0 C-N-CA 127.726 2.411 . . . . 0.0 115.814 -177.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.28 -25.42 36.55 Favored 'General case' 2 C--N 1.442 4.602 0 C-N-CA 126.861 2.064 . . . . 0.0 116.146 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 -42.23 15.77 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 127.186 2.195 . . . . 0.0 113.537 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -90.94 -56.71 3.07 Favored 'General case' 2 C--N 1.448 4.883 0 C-N-CA 127.233 2.213 . . . . 0.0 115.005 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.79 -34.22 15.4 Favored 'General case' 1 C--N 1.459 5.338 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 -172.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.77 -52.41 3.15 Favored Glycine 2 C--N 1.443 6.475 0 N-CA-C 117.369 1.708 . . . . 0.0 117.369 -173.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.571 99.3 mtt180 92.73 55.2 0.0 OUTLIER 'General case' 2 N--CA 1.576 5.832 0 C-N-CA 130.796 3.638 . . . . 0.0 116.338 -178.476 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.01 131.34 55.13 Favored 'General case' 0 C--N 1.417 3.518 0 C-N-CA 127.919 2.488 . . . . 0.0 111.057 171.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -111.21 153.64 25.54 Favored 'General case' 0 N--CA 1.525 3.278 0 C-N-CA 127.482 2.313 . . . . 0.0 110.498 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -55.98 -28.31 24.45 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.005 0 C-N-CA 129.147 2.979 . . . . 0.0 115.929 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.94 9.94 30.93 Favored 'General case' 1 CA--C 1.671 5.601 0 C-N-CA 128.924 2.889 . . . . 0.0 112.194 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.272 1.6 m-20 -88.01 -32.28 18.89 Favored 'General case' 2 C--N 1.489 6.661 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -179.762 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 m 43.95 120.18 0.0 OUTLIER 'General case' 2 N--CA 1.599 6.98 0 C-N-CA 129.089 2.955 . . . . 0.0 116.733 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.575 HG21 HG23 ' A' ' 64' ' ' VAL . 8.3 mt -85.41 130.23 36.6 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.027 0 C-N-CA 124.709 1.203 . . . . 0.0 110.723 -174.813 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.258 1.5 pt? -96.11 -45.92 6.68 Favored 'General case' 1 C--N 1.431 4.144 0 O-C-N 125.134 1.521 . . . . 0.0 112.463 169.776 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -132.31 130.57 40.99 Favored 'General case' 1 C--N 1.45 4.959 0 O-C-N 125.081 1.488 . . . . 0.0 112.698 -175.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.575 HG23 HG21 ' A' ' 61' ' ' ILE 0.398 0.4 OUTLIER -120.52 140.97 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.639 0 O-C-N 123.795 0.685 . . . . 0.0 112.822 179.58 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.281 4.9 m-20 71.64 -75.56 0.07 Allowed 'General case' 1 N--CA 1.586 6.369 0 C-N-CA 127.949 2.5 . . . . 0.0 111.627 -175.935 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -159.0 7.89 0.11 Allowed 'General case' 2 CA--C 1.637 4.314 1 C-N-CA 133.259 4.624 . . . . 0.0 108.232 171.129 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.344 27.6 m -105.11 157.34 5.99 Favored 'Isoleucine or valine' 1 C--N 1.463 5.518 0 C-N-CA 126.668 1.987 . . . . 0.0 115.78 -165.104 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.371 4.3 p-10 -88.15 94.93 9.97 Favored 'General case' 0 C--N 1.417 3.515 0 C-N-CA 127.817 2.447 . . . . 0.0 113.121 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.452 21.7 m -87.62 -8.42 10.98 Favored 'Isoleucine or valine' 1 N--CA 1.562 5.139 0 CA-C-N 113.156 -1.838 . . . . 0.0 114.637 174.457 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -48.95 -26.86 2.73 Favored 'General case' 2 N--CA 1.594 6.757 0 C-N-CA 128.229 2.612 . . . . 0.0 116.177 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -148.14 78.96 1.45 Allowed 'General case' 1 C--N 1.448 4.887 0 C-N-CA 130.064 3.345 . . . . 0.0 109.523 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.589 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.275 19.2 m -141.2 165.32 19.33 Favored 'Isoleucine or valine' 1 N--CA 1.566 5.35 0 C-N-CA 126.543 1.937 . . . . 0.0 109.147 174.4 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 p -79.7 165.35 22.93 Favored 'General case' 1 N--CA 1.557 4.911 0 C-N-CA 127.808 2.443 . . . . 0.0 111.198 168.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -49.59 -54.84 15.99 Favored 'General case' 3 N--CA 1.579 5.994 0 C-N-CA 128.304 2.642 . . . . 0.0 111.537 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 t -64.14 -27.5 69.12 Favored 'General case' 1 C--N 1.451 5.007 0 C-N-CA 126.872 2.069 . . . . 0.0 113.399 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.66 -19.68 48.49 Favored 'General case' 1 C--N 1.476 6.106 0 C-N-CA 126.294 1.838 . . . . 0.0 112.695 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.09 -34.3 16.8 Favored 'General case' 1 C--N 1.465 5.625 0 C-N-CA 126.774 2.03 . . . . 0.0 112.914 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -74.88 -42.23 46.54 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.834 0 C-N-CA 126.903 2.081 . . . . 0.0 111.187 175.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.8 mt-10 -63.88 -22.89 67.13 Favored 'General case' 2 N--CA 1.607 7.419 0 C-N-CA 127.89 2.476 . . . . 0.0 115.079 178.259 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.47 -28.05 56.36 Favored 'General case' 0 CA--C 1.627 3.918 0 C-N-CA 126.825 2.05 . . . . 0.0 112.143 168.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 mt -92.99 -29.48 15.82 Favored 'General case' 1 C--N 1.463 5.506 0 C-N-CA 126.714 2.006 . . . . 0.0 115.543 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -88.0 -41.98 12.75 Favored 'General case' 1 N--CA 1.541 4.095 0 C-N-CA 127.227 2.211 . . . . 0.0 113.416 175.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.251 41.3 mt-10 -91.53 3.19 55.6 Favored 'General case' 2 N--CA 1.586 6.36 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -178.332 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.493 ' HB3' HG22 ' A' ' 88' ' ' VAL . . . -62.6 -25.65 68.2 Favored 'General case' 2 N--CA 1.586 6.357 0 C-N-CA 125.094 1.358 . . . . 0.0 114.257 175.279 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.94 -34.47 5.08 Favored Glycine 1 C--N 1.424 5.419 0 C-N-CA 126.972 2.225 . . . . 0.0 118.155 166.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.4 m 178.04 -31.68 0.01 OUTLIER 'General case' 1 N--CA 1.576 5.869 0 C-N-CA 130.139 3.376 . . . . 0.0 111.52 -173.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.267 31.0 mm -124.49 120.08 58.09 Favored 'Isoleucine or valine' 1 C--N 1.442 4.602 0 C-N-CA 126.792 2.037 . . . . 0.0 108.626 -177.012 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.493 HG22 ' HB3' ' A' ' 84' ' ' ALA . 33.2 t -121.44 121.63 65.13 Favored 'Isoleucine or valine' 0 CA--C 1.625 3.829 0 C-N-CA 127.585 2.354 . . . . 0.0 106.967 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.481 ' HB3' HG23 ' A' ' 11' ' ' THR 0.406 35.7 ptt180 -118.95 107.45 13.57 Favored 'General case' 1 N--CA 1.563 5.21 0 C-N-CA 126.424 1.89 . . . . 0.0 114.655 -176.579 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 pp -100.29 141.52 33.01 Favored 'General case' 0 N--CA 1.537 3.902 0 C-N-CA 127.97 2.508 . . . . 0.0 114.987 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -119.07 111.96 18.95 Favored 'General case' 1 C--O 1.308 4.177 0 C-N-CA 126.715 2.006 . . . . 0.0 110.959 177.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.254 33.8 m -105.97 159.43 6.03 Favored 'Isoleucine or valine' 2 N--CA 1.569 5.475 0 O-C-N 126.656 2.472 . . . . 0.0 115.089 -175.884 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 3.8 ppp? -125.47 117.57 23.93 Favored 'General case' 1 N--CA 1.557 4.899 0 C-N-CA 127.769 2.428 . . . . 0.0 114.261 -176.291 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.349 37.9 ptt180 . . . . . 1 N--CA 1.546 4.363 0 C-N-CA 126.362 1.865 . . . . 0.0 113.008 179.124 . . . . . . . . 2 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.514 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 60.2 m . . . . . 2 N--CA 1.548 4.446 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 2 C--N 1.438 4.446 0 C-N-CA 127.189 2.195 . . . . 0.0 109.704 -173.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 . . . . . 1 N--CA 1.542 4.168 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -104.38 141.81 35.69 Favored 'General case' 1 N--CA 1.539 4.008 0 C-N-CA 126.845 2.058 . . . . 0.0 112.57 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -127.37 133.6 50.02 Favored 'General case' 1 N--CA 1.544 4.241 0 C-N-CA 124.856 1.263 . . . . 0.0 111.092 -176.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.291 11.7 pt-20 -106.74 112.61 25.67 Favored 'General case' 0 C--N 1.421 3.697 0 C-N-CA 126.492 1.917 . . . . 0.0 112.323 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.11 141.46 25.36 Favored 'Isoleucine or valine' 2 N--CA 1.556 4.844 0 C-N-CA 124.93 1.292 . . . . 0.0 109.969 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -114.4 122.58 47.08 Favored 'General case' 0 N--CA 1.536 3.837 0 C-N-CA 126.471 1.908 . . . . 0.0 112.926 171.032 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 N--CA 1.523 3.178 0 C-N-CA 126.755 2.022 . . . . 0.0 112.057 175.825 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.359 0 N-CA-C 117.592 1.797 . . . . 0.0 117.592 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -155.81 165.19 37.26 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 127.568 2.347 . . . . 0.0 110.401 176.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 72.1 m -132.37 142.44 49.31 Favored 'General case' 1 C--N 1.451 5.018 0 C-N-CA 125.497 1.519 . . . . 0.0 110.812 171.336 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.419 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.549 2.2 pp -119.67 124.57 73.12 Favored 'Isoleucine or valine' 2 N--CA 1.581 6.116 0 N-CA-C 119.963 3.32 . . . . 0.0 119.963 -174.753 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.42 117.93 35.61 Favored 'General case' 1 C--N 1.433 4.232 0 CA-C-N 113.373 -1.74 . . . . 0.0 111.391 -177.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.94 159.56 32.69 Favored Glycine 0 N--CA 1.508 3.452 0 C-N-CA 125.633 1.587 . . . . 0.0 113.673 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.81 145.92 5.7 Favored Glycine 1 C--N 1.401 4.163 0 N-CA-C 118.969 2.348 . . . . 0.0 118.969 -172.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.306 7.1 p -100.49 -36.48 9.18 Favored 'General case' 1 N--CA 1.554 4.733 0 C-N-CA 125.765 1.626 . . . . 0.0 113.237 163.583 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.431 2.0 p30 -110.47 -29.03 8.26 Favored 'General case' 1 C--N 1.444 4.713 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 173.814 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 . . . . . 2 CA--C 1.654 4.977 0 C-N-CA 126.566 1.947 . . . . 0.0 112.449 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 1 N--CA 1.546 4.33 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.292 0.9 OUTLIER -90.93 124.3 43.44 Favored 'Isoleucine or valine' 3 N--CA 1.549 4.496 0 C-N-CA 125.392 1.477 . . . . 0.0 110.584 -174.007 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -121.41 153.27 38.06 Favored 'General case' 1 N--CA 1.544 4.268 0 C-N-CA 127.964 2.506 . . . . 0.0 111.987 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -87.97 144.25 9.59 Favored 'Isoleucine or valine' 2 C--N 1.449 4.918 0 C-N-CA 125.947 1.699 . . . . 0.0 109.104 169.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.45 11.1 t -147.88 -25.77 0.36 Allowed 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 126.632 1.973 . . . . 0.0 113.721 -179.594 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 9.7 tmtt? -125.04 124.09 41.21 Favored 'General case' 1 C--N 1.462 5.493 0 O-C-N 124.015 0.822 . . . . 0.0 111.238 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.605 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 43.6 mm -121.94 129.51 75.36 Favored 'Isoleucine or valine' 0 C--N 1.41 3.199 0 C-N-CA 127.083 2.153 . . . . 0.0 108.063 173.646 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.298 3.2 mp -84.31 129.17 59.04 Favored Pre-proline 1 CA--C 1.68 5.976 0 C-N-CA 126.29 1.836 . . . . 0.0 110.408 174.446 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.92 -21.84 73.43 Favored 'Trans proline' 3 C--N 1.54 10.638 0 C-N-CA 124.464 3.443 . . . . 0.0 117.756 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.58 40.5 1.65 Allowed Glycine 1 C--N 1.428 5.69 0 CA-C-O 118.172 -1.349 . . . . 0.0 115.81 177.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.15 -177.84 36.07 Favored Glycine 2 C--N 1.442 6.446 0 C-N-CA 125.335 1.445 . . . . 0.0 115.713 173.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.79 -35.16 33.46 Favored 'General case' 1 N--CA 1.545 4.303 0 C-N-CA 127.571 2.348 . . . . 0.0 116.332 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.65 -25.41 35.63 Favored 'General case' 2 N--CA 1.556 4.863 0 C-N-CA 126.998 2.119 . . . . 0.0 115.989 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.47 -45.04 11.5 Favored 'General case' 1 C--N 1.449 4.901 0 C-N-CA 127.675 2.39 . . . . 0.0 113.868 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -51.02 5.61 Favored 'General case' 1 C--N 1.448 4.879 0 C-N-CA 127.383 2.273 . . . . 0.0 114.64 178.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.77 -31.94 16.32 Favored 'General case' 1 C--N 1.456 5.23 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -175.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.3 -74.18 1.28 Allowed Glycine 2 C--N 1.463 7.613 0 CA-C-O 117.45 -1.75 . . . . 0.0 117.167 -173.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 161.64 -22.02 0.0 OUTLIER 'General case' 2 N--CA 1.628 8.433 0 C-N-CA 130.917 3.687 . . . . 0.0 113.621 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.67 127.45 32.8 Favored 'General case' 1 C--N 1.452 5.053 0 N-CA-C 117.738 2.495 . . . . 0.0 117.738 -163.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.26 158.64 19.47 Favored 'General case' 0 N--CA 1.533 3.689 0 C-N-CA 129.097 2.959 . . . . 0.0 111.01 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.568 HG13 HG12 ' A' ' 43' ' ' ILE 0.259 2.5 m -53.09 -28.49 14.47 Favored 'Isoleucine or valine' 1 N--CA 1.633 8.711 0 C-N-CA 128.003 2.521 . . . . 0.0 116.125 174.906 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -90.05 7.59 36.92 Favored 'General case' 1 CA--C 1.664 5.33 0 C-N-CA 128.959 2.904 . . . . 0.0 112.051 -177.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.48 -39.6 16.12 Favored 'General case' 2 C--N 1.487 6.586 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 177.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.26 22.9 t 45.41 119.3 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.761 0 C-N-CA 129.432 3.093 . . . . 0.0 115.855 178.865 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.52 HG21 HG23 ' A' ' 64' ' ' VAL . 5.7 mt -85.72 127.5 40.06 Favored 'Isoleucine or valine' 1 N--CA 1.565 5.298 0 C-N-CA 124.861 1.264 . . . . 0.0 110.306 -176.528 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.4 pt? -94.23 -43.13 8.59 Favored 'General case' 0 C--N 1.421 3.701 0 O-C-N 125.127 1.517 . . . . 0.0 112.924 169.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -133.21 127.11 33.05 Favored 'General case' 2 C--N 1.449 4.904 0 O-C-N 124.862 1.351 . . . . 0.0 113.356 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.747 ' O ' ' HB ' ' A' ' 67' ' ' VAL 0.313 3.5 p -120.8 125.74 74.42 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.083 0 CA-C-O 118.952 -0.547 . . . . 0.0 112.328 179.946 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.263 46.1 m-80 78.96 -5.21 2.03 Favored 'General case' 2 N--CA 1.623 8.18 0 C-N-CA 129.083 2.953 . . . . 0.0 114.191 -166.736 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.327 5.8 tp10 86.53 23.97 0.06 Allowed 'General case' 3 N--CA 1.591 6.607 0 C-N-CA 131.547 3.939 . . . . 0.0 108.837 -159.579 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 64' ' ' VAL . 1.2 t -97.57 145.75 8.83 Favored 'Isoleucine or valine' 1 C--N 1.446 4.785 0 C-N-CA 129.766 3.226 . . . . 0.0 110.522 -178.36 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.436 4.4 p-10 -82.61 93.79 7.4 Favored 'General case' 0 C--N 1.405 3.0 0 O-C-N 125.682 1.864 . . . . 0.0 114.941 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.46 26.2 m -90.49 -8.6 10.6 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.947 0 CA-C-N 113.374 -1.739 . . . . 0.0 115.666 176.361 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -46.46 -26.15 0.8 Allowed 'General case' 2 N--CA 1.596 6.832 0 C-N-CA 128.203 2.601 . . . . 0.0 117.18 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -152.29 80.11 1.24 Allowed 'General case' 1 C--N 1.456 5.206 0 C-N-CA 129.739 3.216 . . . . 0.0 108.823 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.565 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.273 19.2 m -143.83 162.2 15.78 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.699 0 C-N-CA 127.062 2.145 . . . . 0.0 110.295 178.013 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -77.4 164.59 25.34 Favored 'General case' 1 N--CA 1.576 5.835 0 C-N-CA 126.461 1.904 . . . . 0.0 111.626 167.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.34 9.2 p-80 -53.64 -52.38 60.1 Favored 'General case' 2 N--CA 1.593 6.714 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 176.627 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -58.97 -34.76 72.18 Favored 'General case' 2 N--CA 1.571 5.602 0 C-N-CA 127.101 2.16 . . . . 0.0 113.883 176.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.77 -22.88 62.33 Favored 'General case' 1 C--N 1.454 5.147 0 C-N-CA 128.682 2.793 . . . . 0.0 114.073 175.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -35.84 14.88 Favored 'General case' 1 C--N 1.461 5.43 0 C-N-CA 126.666 1.986 . . . . 0.0 112.292 174.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.4 t -70.69 -40.61 77.15 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.532 0 C-N-CA 127.816 2.446 . . . . 0.0 111.869 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.3 mt-10 -64.2 -16.67 62.44 Favored 'General case' 1 N--CA 1.597 6.881 0 C-N-CA 127.954 2.501 . . . . 0.0 115.042 177.186 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.74 -29.51 32.86 Favored 'General case' 1 CA--C 1.634 4.181 0 C-N-CA 126.764 2.025 . . . . 0.0 112.439 167.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.33 -32.91 14.81 Favored 'General case' 2 C--N 1.459 5.335 0 N-CA-C 116.242 1.942 . . . . 0.0 116.242 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -86.91 -39.8 15.44 Favored 'General case' 0 N--CA 1.533 3.705 0 C-N-CA 127.508 2.323 . . . . 0.0 113.895 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.273 40.7 mt-10 -91.05 -11.57 38.34 Favored 'General case' 2 N--CA 1.58 6.063 0 N-CA-C 119.886 3.291 . . . . 0.0 119.886 -175.817 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.99 -24.0 56.36 Favored 'General case' 3 N--CA 1.598 6.929 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.09 -34.59 5.24 Favored Glycine 1 C--N 1.423 5.383 0 N-CA-C 119.651 2.62 . . . . 0.0 119.651 164.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 m -172.06 -34.32 0.01 OUTLIER 'General case' 1 N--CA 1.565 5.31 0 C-N-CA 129.102 2.961 . . . . 0.0 111.621 -172.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.261 23.6 mm -124.73 125.26 69.62 Favored 'Isoleucine or valine' 1 C--N 1.442 4.621 0 C-N-CA 126.168 1.787 . . . . 0.0 109.33 -176.741 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.368 18.9 m -122.79 121.98 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.931 0 C-N-CA 127.475 2.31 . . . . 0.0 112.462 176.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.378 36.9 ptt180 -113.26 98.88 7.4 Favored 'General case' 1 N--CA 1.549 4.517 0 C-N-CA 126.075 1.75 . . . . 0.0 114.369 -178.561 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.34 137.28 32.8 Favored 'General case' 0 N--CA 1.527 3.389 0 C-N-CA 127.494 2.318 . . . . 0.0 113.637 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -117.87 112.26 20.12 Favored 'General case' 0 C--O 1.299 3.658 0 C-N-CA 126.443 1.897 . . . . 0.0 111.15 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.6 m -106.7 159.92 6.31 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.067 0 O-C-N 127.0 2.688 . . . . 0.0 115.466 -174.753 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 4.0 ppp? -123.16 116.62 23.74 Favored 'General case' 1 N--CA 1.566 5.333 0 C-N-CA 127.717 2.407 . . . . 0.0 114.08 -176.106 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 . . . . . 0 N--CA 1.533 3.684 0 C-N-CA 128.075 2.55 . . . . 0.0 111.313 179.43 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.419 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 50.7 m . . . . . 1 CA--C 1.635 4.225 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 2 C--N 1.45 4.978 0 C-N-CA 126.368 1.867 . . . . 0.0 107.537 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.393 11.2 pt-20 . . . . . 1 N--CA 1.546 4.354 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 . . . . . . . . . 2 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.18 142.74 32.18 Favored 'General case' 0 N--CA 1.535 3.815 0 C-N-CA 126.614 1.966 . . . . 0.0 113.172 -176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -122.74 129.83 52.22 Favored 'General case' 1 N--CA 1.544 4.228 0 C-N-CA 125.465 1.506 . . . . 0.0 114.186 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.28 10.9 pt-20 -107.11 108.75 20.37 Favored 'General case' 0 C--N 1.421 3.684 0 C-N-CA 126.072 1.749 . . . . 0.0 111.841 174.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -116.54 133.72 62.27 Favored 'Isoleucine or valine' 2 N--CA 1.55 4.555 0 O-C-N 124.769 1.293 . . . . 0.0 111.179 -177.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.24 125.85 51.66 Favored 'General case' 1 N--CA 1.549 4.523 0 C-N-CA 127.89 2.476 . . . . 0.0 113.997 171.586 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 1 N--CA 1.54 4.06 0 C-N-CA 127.817 2.447 . . . . 0.0 112.065 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 115.961 1.144 . . . . 0.0 115.961 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -159.55 167.19 29.16 Favored 'General case' 1 CA--C 1.629 4.014 0 C-N-CA 129.571 3.148 . . . . 0.0 108.466 169.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.497 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.5 m -134.72 139.41 45.18 Favored 'General case' 1 C--N 1.455 5.18 0 CA-C-N 119.227 0.922 . . . . 0.0 111.297 166.43 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.477 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.447 2.0 pp -114.47 129.68 70.1 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.688 0 N-CA-C 118.829 2.899 . . . . 0.0 118.829 -172.877 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.72 118.04 36.03 Favored 'General case' 1 C--N 1.431 4.141 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.192 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.5 156.66 24.77 Favored Glycine 0 C--O 1.293 3.835 0 C-N-CA 125.896 1.712 . . . . 0.0 113.324 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.88 124.59 0.86 Allowed Glycine 1 C--N 1.42 5.211 0 N-CA-C 121.143 3.217 . . . . 0.0 121.143 -175.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.253 6.9 p -102.41 -34.34 9.2 Favored 'General case' 1 N--CA 1.548 4.443 0 O-C-N 126.356 1.856 . . . . 0.0 112.252 160.6 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -107.51 -36.2 6.54 Favored 'General case' 1 C--N 1.439 4.483 0 C-N-CA 125.73 1.612 . . . . 0.0 112.719 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.5 m120 . . . . . 2 C--N 1.447 4.824 0 C-N-CA 126.851 2.06 . . . . 0.0 113.697 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 p . . . . . 1 N--CA 1.556 4.836 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.619 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.313 0.8 OUTLIER -90.44 113.13 25.92 Favored 'Isoleucine or valine' 3 C--N 1.455 5.185 0 C-N-CA 125.53 1.532 . . . . 0.0 109.983 -177.646 . . . . . . . . 5 4 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -120.53 145.78 46.97 Favored 'General case' 0 N--CA 1.534 3.734 0 C-N-CA 129.165 2.986 . . . . 0.0 111.576 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mm -87.18 144.91 8.32 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.94 0 C-N-CA 126.148 1.779 . . . . 0.0 111.376 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.387 15.1 t -142.73 -33.38 0.46 Allowed 'General case' 1 N--CA 1.548 4.454 0 C-N-CA 126.528 1.931 . . . . 0.0 112.889 175.77 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.274 53.8 tptt -113.41 126.71 55.65 Favored 'General case' 1 C--N 1.459 5.341 0 O-C-N 124.442 1.089 . . . . 0.0 112.657 -179.05 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.628 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.272 37.9 mm -127.12 121.83 58.68 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.488 0 C-N-CA 127.329 2.252 . . . . 0.0 107.715 172.008 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.8 mp -79.09 134.0 60.25 Favored Pre-proline 2 CA--C 1.682 6.049 0 C-N-CA 126.523 1.929 . . . . 0.0 110.735 172.255 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.48 -20.48 60.85 Favored 'Trans proline' 3 C--N 1.535 10.352 0 C-N-CA 124.24 3.293 . . . . 0.0 117.731 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.71 43.23 1.31 Allowed Glycine 1 C--N 1.43 5.794 0 CA-C-O 118.178 -1.345 . . . . 0.0 116.308 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.46 -178.1 32.68 Favored Glycine 2 C--N 1.438 6.204 0 C-N-CA 125.168 1.365 . . . . 0.0 115.171 172.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.03 -37.53 28.97 Favored 'General case' 1 N--CA 1.54 4.071 0 C-N-CA 127.746 2.418 . . . . 0.0 115.503 -178.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.81 -22.59 39.88 Favored 'General case' 2 C--N 1.445 4.725 0 C-N-CA 126.807 2.043 . . . . 0.0 115.853 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.87 -42.06 13.53 Favored 'General case' 1 C--N 1.446 4.788 0 C-N-CA 127.121 2.168 . . . . 0.0 113.69 177.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -90.63 -55.32 3.62 Favored 'General case' 1 C--N 1.447 4.838 0 C-N-CA 127.106 2.162 . . . . 0.0 114.62 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.06 -32.25 15.96 Favored 'General case' 1 C--N 1.459 5.333 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -175.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.24 -47.31 4.72 Favored Glycine 2 C--N 1.443 6.499 0 N-CA-C 117.876 1.91 . . . . 0.0 117.876 -173.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.534 99.3 mtt180 87.05 52.13 0.01 OUTLIER 'General case' 2 N--CA 1.58 6.068 0 C-N-CA 130.357 3.463 . . . . 0.0 115.977 -178.36 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.89 127.05 55.31 Favored 'General case' 0 C--N 1.418 3.553 0 C-N-CA 127.944 2.497 . . . . 0.0 112.31 171.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -111.84 161.93 15.83 Favored 'General case' 0 N--CA 1.536 3.841 0 C-N-CA 128.392 2.677 . . . . 0.0 110.683 171.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 43' ' ' ILE 0.277 2.9 m -52.82 -29.86 14.95 Favored 'Isoleucine or valine' 1 N--CA 1.63 8.558 0 C-N-CA 127.794 2.437 . . . . 0.0 116.174 175.284 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -90.43 7.96 36.11 Favored 'General case' 1 CA--C 1.668 5.505 0 C-N-CA 129.11 2.964 . . . . 0.0 112.046 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 1.9 m-20 -88.94 -36.06 16.11 Favored 'General case' 2 C--N 1.485 6.496 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 178.752 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.4 m 45.43 118.78 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.824 0 C-N-CA 128.559 2.744 . . . . 0.0 116.578 177.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mt -86.39 126.65 40.69 Favored 'Isoleucine or valine' 1 N--CA 1.561 5.123 0 C-N-CA 124.714 1.206 . . . . 0.0 110.216 -175.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.257 1.5 pt? -92.17 -44.6 8.7 Favored 'General case' 1 C--N 1.431 4.128 0 O-C-N 124.817 1.323 . . . . 0.0 112.434 170.764 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -131.79 134.25 45.62 Favored 'General case' 2 C--N 1.447 4.834 0 O-C-N 125.1 1.5 . . . . 0.0 113.201 -176.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.297 14.3 t -116.36 137.28 50.63 Favored 'Isoleucine or valine' 1 N--CA 1.575 5.822 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.455 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.316 11.1 m120 76.0 -79.86 0.04 OUTLIER 'General case' 2 N--CA 1.586 6.372 0 C-N-CA 128.902 2.881 . . . . 0.0 111.602 -176.751 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -160.08 8.66 0.1 Allowed 'General case' 2 CA--C 1.637 4.297 1 C-N-CA 134.83 5.252 . . . . 0.0 106.813 170.804 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.369 25.1 m -103.43 155.25 5.5 Favored 'Isoleucine or valine' 1 C--N 1.46 5.37 0 C-N-CA 127.601 2.36 . . . . 0.0 115.319 -166.86 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.418 4.4 p30 -86.07 98.28 10.77 Favored 'General case' 0 C--N 1.412 3.291 0 C-N-CA 127.696 2.398 . . . . 0.0 114.504 -176.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.392 19.1 m -91.41 -18.68 7.3 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.324 0 CA-C-N 112.649 -2.069 . . . . 0.0 114.631 176.228 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.306 16.9 ptm180 -43.46 -27.67 0.29 Allowed 'General case' 3 N--CA 1.586 6.372 0 C-N-CA 128.69 2.796 . . . . 0.0 117.548 -178.404 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -140.84 75.48 1.51 Allowed 'General case' 1 C--N 1.436 4.327 0 C-N-CA 129.489 3.116 . . . . 0.0 109.695 174.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.54 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.277 18.3 m -142.75 166.85 15.06 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.419 0 C-N-CA 126.825 2.05 . . . . 0.0 109.07 174.903 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 p -80.92 164.94 22.23 Favored 'General case' 1 N--CA 1.564 5.258 0 C-N-CA 127.725 2.41 . . . . 0.0 110.293 168.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.281 6.1 p80 -52.7 -49.66 64.91 Favored 'General case' 2 N--CA 1.601 7.118 0 C-N-CA 125.235 1.414 . . . . 0.0 113.193 176.681 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.9 p -55.64 -37.21 67.93 Favored 'General case' 2 C--N 1.44 4.513 0 C-N-CA 128.199 2.6 . . . . 0.0 114.832 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.74 -20.36 53.6 Favored 'General case' 1 C--N 1.464 5.583 0 C-N-CA 127.488 2.315 . . . . 0.0 113.277 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.67 -34.31 18.48 Favored 'General case' 1 C--N 1.467 5.71 0 C-N-CA 126.507 1.923 . . . . 0.0 112.693 172.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -72.69 -39.85 60.92 Favored 'Isoleucine or valine' 3 N--CA 1.595 6.781 0 C-N-CA 127.449 2.3 . . . . 0.0 111.245 176.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.7 mt-10 -62.69 -19.46 63.9 Favored 'General case' 2 N--CA 1.596 6.869 0 C-N-CA 128.286 2.634 . . . . 0.0 115.367 176.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.96 -28.62 39.59 Favored 'General case' 1 CA--C 1.632 4.1 0 C-N-CA 126.93 2.092 . . . . 0.0 112.026 168.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.67 -28.48 16.64 Favored 'General case' 2 C--N 1.457 5.267 0 C-N-CA 127.223 2.209 . . . . 0.0 116.482 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -90.45 -37.12 14.15 Favored 'General case' 1 N--CA 1.542 4.15 0 C-N-CA 127.557 2.343 . . . . 0.0 114.247 175.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.283 39.7 mt-10 -91.18 -15.73 28.85 Favored 'General case' 2 N--CA 1.591 6.602 0 N-CA-C 120.488 3.514 . . . . 0.0 120.488 -177.666 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.24 -24.43 18.58 Favored 'General case' 3 N--CA 1.605 7.301 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.24 -35.36 4.8 Favored Glycine 1 C--N 1.424 5.43 0 N-CA-C 119.245 2.458 . . . . 0.0 119.245 166.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.3 p -171.84 -34.31 0.02 OUTLIER 'General case' 1 N--CA 1.56 5.031 0 C-N-CA 128.03 2.532 . . . . 0.0 113.243 -174.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.298 42.2 mm -128.53 121.26 54.75 Favored 'Isoleucine or valine' 1 C--N 1.434 4.255 0 C-N-CA 126.177 1.791 . . . . 0.0 108.65 -176.257 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.13 122.15 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.041 0 C-N-CA 127.892 2.477 . . . . 0.0 111.955 -175.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -109.55 135.35 50.67 Favored 'General case' 1 N--CA 1.54 4.053 0 C-N-CA 126.41 1.884 . . . . 0.0 111.496 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -122.77 138.13 54.72 Favored 'General case' 0 N--CA 1.528 3.447 0 C-N-CA 128.106 2.563 . . . . 0.0 112.467 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -118.95 110.74 17.5 Favored 'General case' 0 C--O 1.304 3.955 0 C-N-CA 126.406 1.882 . . . . 0.0 110.58 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.264 23.2 m -105.78 159.9 5.79 Favored 'Isoleucine or valine' 2 N--CA 1.574 5.744 0 O-C-N 126.657 2.473 . . . . 0.0 115.088 -175.178 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.276 24.5 ptt? -128.59 121.89 29.73 Favored 'General case' 2 N--CA 1.578 5.939 0 C-N-CA 127.543 2.337 . . . . 0.0 114.686 -174.679 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 . . . . . 1 N--CA 1.557 4.891 0 C-N-CA 127.462 2.305 . . . . 0.0 110.989 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.477 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 60.2 m . . . . . 1 N--CA 1.539 4.011 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.253 2.4 t . . . . . 1 C--N 1.444 4.702 0 C-N-CA 125.581 1.552 . . . . 0.0 108.348 -177.908 . . . . . . . . 2 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.43 10.9 pt-20 . . . . . 1 N--CA 1.55 4.565 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 . . . . . . . . . 2 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -110.59 145.14 38.36 Favored 'General case' 1 N--CA 1.544 4.271 0 C-N-CA 126.51 1.924 . . . . 0.0 113.159 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -126.27 132.37 51.69 Favored 'General case' 1 N--CA 1.552 4.629 0 C-N-CA 125.728 1.611 . . . . 0.0 114.112 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.297 11.9 pt-20 -108.56 108.98 20.1 Favored 'General case' 1 C--N 1.428 4.001 0 C-N-CA 125.744 1.617 . . . . 0.0 111.904 172.813 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -113.93 145.36 19.88 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.262 0 C-N-CA 125.018 1.327 . . . . 0.0 111.088 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.41 127.23 55.61 Favored 'General case' 2 N--CA 1.554 4.739 0 C-N-CA 127.252 2.221 . . . . 0.0 113.75 172.813 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.534 3.768 0 C-N-CA 127.333 2.253 . . . . 0.0 113.01 175.699 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.216 0 N-CA-C 117.858 1.903 . . . . 0.0 117.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -160.15 172.21 17.86 Favored 'General case' 3 CA--C 1.635 4.236 0 C-N-CA 128.506 2.723 . . . . 0.0 109.005 168.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.553 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 70.0 m -137.01 142.4 42.51 Favored 'General case' 1 C--N 1.441 4.572 0 C-N-CA 125.534 1.533 . . . . 0.0 109.734 167.477 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.46 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.54 2.0 pp -118.35 126.12 74.82 Favored 'Isoleucine or valine' 2 N--CA 1.566 5.345 0 N-CA-C 119.56 3.171 . . . . 0.0 119.56 -175.286 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.82 117.52 34.53 Favored 'General case' 1 C--N 1.434 4.269 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.826 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.63 164.95 28.43 Favored Glycine 0 N--CA 1.512 3.74 0 C-N-CA 125.77 1.652 . . . . 0.0 113.702 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.44 134.38 1.95 Allowed Glycine 1 C--N 1.411 4.704 0 N-CA-C 119.576 2.59 . . . . 0.0 119.576 -176.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.297 12.3 p -108.88 -39.32 5.36 Favored 'General case' 1 N--CA 1.554 4.742 0 C-N-CA 125.382 1.473 . . . . 0.0 113.36 160.286 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.47 -36.69 7.46 Favored 'General case' 2 C--N 1.434 4.269 0 C-N-CA 125.398 1.479 . . . . 0.0 113.427 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 . . . . . 2 CA--C 1.67 5.586 0 C-N-CA 126.988 2.115 . . . . 0.0 111.038 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.9 p . . . . . 1 N--CA 1.547 4.413 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.566 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.268 1.2 mm -92.38 127.35 44.63 Favored 'Isoleucine or valine' 3 C--N 1.454 5.151 0 C-N-CA 125.803 1.641 . . . . 0.0 109.429 -179.755 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -126.01 153.9 43.72 Favored 'General case' 1 N--CA 1.545 4.278 0 C-N-CA 127.419 2.288 . . . . 0.0 111.912 -173.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -90.33 141.81 13.84 Favored 'Isoleucine or valine' 1 C--N 1.453 5.091 0 C-N-CA 125.973 1.709 . . . . 0.0 109.071 171.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.321 2.2 p -145.05 -26.73 0.48 Allowed 'General case' 1 N--CA 1.556 4.839 0 C-N-CA 127.344 2.257 . . . . 0.0 113.973 -176.64 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 11.7 tmtt? -126.83 127.9 45.71 Favored 'General case' 1 C--N 1.469 5.793 0 C-N-CA 123.431 0.692 . . . . 0.0 110.753 178.684 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.621 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.277 42.1 mm -124.44 129.82 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.158 0 C-N-CA 127.126 2.171 . . . . 0.0 108.554 175.31 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.307 4.0 mp -82.97 130.38 57.81 Favored Pre-proline 2 CA--C 1.681 5.985 0 C-N-CA 125.611 1.564 . . . . 0.0 110.733 172.875 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.36 -22.79 65.91 Favored 'Trans proline' 3 C--N 1.538 10.521 0 C-N-CA 124.396 3.398 . . . . 0.0 117.483 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.27 44.58 1.2 Allowed Glycine 1 C--N 1.429 5.706 0 C-N-CA 125.001 1.286 . . . . 0.0 115.354 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.34 -177.63 30.11 Favored Glycine 2 C--N 1.436 6.13 0 C-N-CA 125.508 1.528 . . . . 0.0 115.353 174.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.73 -35.38 33.48 Favored 'General case' 1 N--CA 1.54 4.047 0 C-N-CA 127.69 2.396 . . . . 0.0 115.744 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.14 -26.17 36.31 Favored 'General case' 2 C--N 1.445 4.739 0 C-N-CA 126.703 2.001 . . . . 0.0 116.239 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 -42.45 16.38 Favored 'General case' 1 C--N 1.444 4.695 0 C-N-CA 127.228 2.211 . . . . 0.0 113.481 177.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -90.95 -56.99 2.96 Favored 'General case' 1 C--N 1.448 4.889 0 C-N-CA 127.297 2.239 . . . . 0.0 115.086 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.89 -33.59 15.57 Favored 'General case' 1 C--N 1.46 5.389 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 -172.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.65 -49.84 4.2 Favored Glycine 2 C--N 1.443 6.501 0 N-CA-C 117.437 1.735 . . . . 0.0 117.437 -173.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.581 0.3 OUTLIER 90.26 53.84 0.01 OUTLIER 'General case' 2 N--CA 1.568 5.461 0 C-N-CA 130.551 3.541 . . . . 0.0 116.359 -178.149 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.01 131.13 55.31 Favored 'General case' 0 C--N 1.419 3.593 0 C-N-CA 127.856 2.462 . . . . 0.0 111.175 170.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.14 153.97 24.97 Favored 'General case' 0 N--CA 1.525 3.305 0 C-N-CA 127.532 2.333 . . . . 0.0 110.328 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.3 p -56.39 -27.95 25.48 Favored 'Isoleucine or valine' 2 CA--C 1.655 5.001 0 C-N-CA 128.847 2.859 . . . . 0.0 115.79 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -91.91 9.22 33.89 Favored 'General case' 1 CA--C 1.673 5.71 0 C-N-CA 128.937 2.895 . . . . 0.0 112.419 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.257 1.4 m-20 -87.29 -31.08 20.41 Favored 'General case' 2 C--N 1.487 6.549 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -179.769 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.5 t 44.56 122.84 0.0 OUTLIER 'General case' 2 N--CA 1.592 6.641 0 C-N-CA 129.536 3.134 . . . . 0.0 116.113 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.492 HG21 HG13 ' A' ' 64' ' ' VAL . 15.6 mt -84.79 130.55 35.85 Favored 'Isoleucine or valine' 2 N--CA 1.559 4.976 0 C-N-CA 125.029 1.332 . . . . 0.0 110.55 -176.652 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.256 1.5 pt? -96.02 -46.03 6.67 Favored 'General case' 1 C--N 1.43 4.068 0 O-C-N 125.071 1.482 . . . . 0.0 112.082 168.109 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -132.99 135.94 45.77 Favored 'General case' 1 C--N 1.45 4.978 0 O-C-N 125.05 1.469 . . . . 0.0 113.273 -176.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.492 HG13 HG21 ' A' ' 61' ' ' ILE 0.514 0.5 OUTLIER -119.37 142.07 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.769 0 C-N-CA 124.438 1.095 . . . . 0.0 112.957 173.646 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.306 86.1 m-20 73.6 -81.2 0.03 OUTLIER 'General case' 3 N--CA 1.57 5.546 0 C-N-CA 128.822 2.849 . . . . 0.0 111.045 -176.547 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -156.4 9.01 0.23 Allowed 'General case' 2 CA--C 1.638 4.349 1 C-N-CA 133.812 4.845 . . . . 0.0 107.231 170.089 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.377 28.3 m -104.89 154.04 6.49 Favored 'Isoleucine or valine' 1 C--N 1.454 5.147 0 C-N-CA 128.407 2.683 . . . . 0.0 115.614 -166.637 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -89.26 110.58 21.34 Favored 'General case' 0 C--N 1.415 3.448 0 CA-C-N 111.272 -2.694 . . . . 0.0 111.397 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.499 20.2 m -103.06 -16.17 7.64 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.393 0 CA-C-N 111.467 -2.606 . . . . 0.0 116.263 176.625 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.38 39.0 ptt180 -50.89 -19.24 0.94 Allowed 'General case' 2 N--CA 1.586 6.347 0 N-CA-C 118.689 2.848 . . . . 0.0 118.689 -178.797 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -147.17 73.53 1.3 Allowed 'General case' 1 C--N 1.435 4.319 0 C-N-CA 128.219 2.608 . . . . 0.0 107.55 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.559 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.288 15.6 m -142.11 162.94 19.34 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.692 0 C-N-CA 127.355 2.262 . . . . 0.0 110.792 177.846 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 p -79.13 163.81 24.77 Favored 'General case' 1 N--CA 1.571 5.586 0 C-N-CA 126.789 2.036 . . . . 0.0 111.566 166.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.282 3.3 p80 -54.66 -50.67 67.64 Favored 'General case' 2 N--CA 1.597 6.902 0 C-N-CA 125.824 1.649 . . . . 0.0 114.488 176.889 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.0 m -58.73 -35.56 72.9 Favored 'General case' 2 N--CA 1.565 5.284 0 C-N-CA 126.95 2.1 . . . . 0.0 113.58 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.08 61.86 Favored 'General case' 1 C--N 1.456 5.213 0 C-N-CA 128.706 2.803 . . . . 0.0 114.375 174.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.04 -29.64 18.26 Favored 'General case' 1 C--N 1.461 5.446 0 C-N-CA 126.711 2.004 . . . . 0.0 112.994 175.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.4 t -75.25 -41.58 43.9 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.843 0 C-N-CA 127.776 2.431 . . . . 0.0 110.162 172.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.85 -23.92 66.58 Favored 'General case' 2 N--CA 1.596 6.859 0 C-N-CA 128.898 2.879 . . . . 0.0 115.612 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.96 -28.57 61.56 Favored 'General case' 0 C--N 1.426 3.909 0 C-N-CA 127.089 2.155 . . . . 0.0 111.823 168.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.505 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.254 12.0 mt -93.01 -34.03 13.89 Favored 'General case' 1 C--N 1.453 5.099 0 C-N-CA 127.263 2.225 . . . . 0.0 115.758 179.624 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -83.65 -36.2 24.0 Favored 'General case' 1 N--CA 1.546 4.36 0 C-N-CA 128.115 2.566 . . . . 0.0 113.203 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.267 40.6 mt-10 -87.93 -18.99 27.92 Favored 'General case' 2 N--CA 1.592 6.66 0 N-CA-C 119.601 3.185 . . . . 0.0 119.601 -177.537 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.47 -23.15 62.49 Favored 'General case' 3 N--CA 1.59 6.545 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.9 -34.91 5.38 Favored Glycine 1 C--N 1.425 5.49 0 N-CA-C 119.979 2.751 . . . . 0.0 119.979 165.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.5 t -172.59 -30.55 0.01 OUTLIER 'General case' 1 N--CA 1.567 5.388 0 C-N-CA 128.193 2.597 . . . . 0.0 111.147 -173.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.274 24.7 mm -124.25 124.26 68.26 Favored 'Isoleucine or valine' 1 C--N 1.439 4.466 0 C-N-CA 125.61 1.564 . . . . 0.0 109.578 -178.639 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.378 19.7 m -125.12 122.34 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.855 0 C-N-CA 127.666 2.387 . . . . 0.0 112.8 178.583 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.433 33.8 ptt180 -114.68 105.78 13.45 Favored 'General case' 1 N--CA 1.552 4.673 0 C-N-CA 126.201 1.801 . . . . 0.0 115.157 -177.578 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.26 137.66 35.01 Favored 'General case' 0 N--CA 1.531 3.61 0 C-N-CA 128.2 2.6 . . . . 0.0 114.543 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -117.38 110.88 18.58 Favored 'General case' 1 C--O 1.312 4.388 0 C-N-CA 126.372 1.869 . . . . 0.0 111.003 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 27.2 m -105.83 159.77 5.86 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.449 0 O-C-N 127.001 2.688 . . . . 0.0 114.908 -176.699 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.286 23.7 ptm -127.0 119.63 27.11 Favored 'General case' 1 N--CA 1.565 5.32 0 C-N-CA 127.817 2.447 . . . . 0.0 114.51 -175.464 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 . . . . . 0 C--N 1.417 3.521 0 C-N-CA 127.25 2.22 . . . . 0.0 107.986 176.872 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.46 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 55.1 m . . . . . 2 CA--C 1.65 4.817 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 N--CA 1.555 4.817 0 C-N-CA 126.965 2.106 . . . . 0.0 109.378 -173.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 1 N--CA 1.55 4.541 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -107.07 144.55 33.59 Favored 'General case' 1 N--CA 1.548 4.448 0 C-N-CA 126.121 1.769 . . . . 0.0 113.237 -176.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -128.58 132.81 48.23 Favored 'General case' 1 C--N 1.437 4.384 0 C-N-CA 124.87 1.268 . . . . 0.0 110.892 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.292 11.6 pt-20 -106.7 113.44 26.94 Favored 'General case' 0 C--N 1.419 3.608 0 C-N-CA 126.469 1.908 . . . . 0.0 112.648 176.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -112.8 139.48 37.63 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.589 0 C-N-CA 124.738 1.215 . . . . 0.0 108.921 -179.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.9 m -120.21 121.55 38.99 Favored 'General case' 0 N--CA 1.529 3.524 0 C-N-CA 125.662 1.585 . . . . 0.0 108.704 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.518 2.941 0 C-N-CA 127.302 2.241 . . . . 0.0 112.417 178.71 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.909 0 CA-C-O 118.929 -0.929 . . . . 0.0 113.947 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -158.57 168.43 26.92 Favored 'General case' 1 C--N 1.452 5.045 0 C-N-CA 128.057 2.543 . . . . 0.0 109.882 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -135.42 141.36 45.43 Favored 'General case' 1 C--N 1.452 5.024 0 C-N-CA 124.906 1.282 . . . . 0.0 110.55 168.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.421 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.469 2.4 pp -117.04 126.23 74.33 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.412 0 N-CA-C 119.133 3.012 . . . . 0.0 119.133 -173.302 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.17 117.52 34.96 Favored 'General case' 1 C--N 1.432 4.162 0 CA-C-N 113.281 -1.782 . . . . 0.0 110.7 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.07 158.47 28.38 Favored Glycine 1 N--CA 1.519 4.19 0 C-N-CA 125.682 1.61 . . . . 0.0 113.432 -175.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.97 140.24 3.4 Favored Glycine 1 C--N 1.41 4.68 0 N-CA-C 119.667 2.627 . . . . 0.0 119.667 -173.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.278 5.5 p -100.62 -40.13 7.55 Favored 'General case' 1 N--CA 1.551 4.612 0 C-N-CA 126.004 1.722 . . . . 0.0 112.782 162.763 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.422 2.0 p30 -107.14 -28.33 10.03 Favored 'General case' 1 C--N 1.443 4.669 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 174.188 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 . . . . . 2 CA--C 1.653 4.932 0 C-N-CA 126.52 1.928 . . . . 0.0 112.853 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.2 p . . . . . 1 N--CA 1.556 4.839 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.286 1.0 OUTLIER -95.18 108.73 21.31 Favored 'Isoleucine or valine' 3 C--N 1.444 4.714 0 C-N-CA 125.785 1.634 . . . . 0.0 109.403 -176.789 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -114.16 148.78 36.69 Favored 'General case' 0 N--CA 1.532 3.664 0 C-N-CA 129.097 2.959 . . . . 0.0 111.646 -170.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -85.88 142.63 12.89 Favored 'Isoleucine or valine' 2 C--N 1.438 4.425 0 C-N-CA 126.455 1.902 . . . . 0.0 110.376 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.3 m -138.82 -39.86 0.5 Allowed 'General case' 0 N--CA 1.529 3.488 0 C-N-CA 127.468 2.307 . . . . 0.0 109.79 -170.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -126.18 130.87 51.84 Favored 'General case' 1 C--N 1.459 5.347 0 O-C-N 124.292 0.995 . . . . 0.0 111.13 -175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.63 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 46.7 mm -124.52 127.16 72.79 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.27 0 C-N-CA 126.723 2.009 . . . . 0.0 108.515 174.332 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.31 3.3 mp -81.47 130.46 61.85 Favored Pre-proline 2 CA--C 1.68 5.961 0 C-N-CA 126.353 1.861 . . . . 0.0 111.307 173.567 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.56 -22.8 64.71 Favored 'Trans proline' 3 C--N 1.54 10.627 0 C-N-CA 124.3 3.333 . . . . 0.0 117.657 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.94 39.3 1.84 Allowed Glycine 1 C--N 1.428 5.691 0 CA-C-O 118.15 -1.361 . . . . 0.0 115.642 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.1 -177.36 40.62 Favored Glycine 2 C--N 1.442 6.457 0 C-N-CA 125.595 1.569 . . . . 0.0 116.458 175.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.62 -39.28 27.74 Favored 'General case' 0 N--CA 1.535 3.823 0 C-N-CA 129.312 3.045 . . . . 0.0 115.026 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.7 -25.41 35.51 Favored 'General case' 2 C--N 1.447 4.848 0 C-N-CA 126.951 2.1 . . . . 0.0 116.141 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.82 -41.52 18.97 Favored 'General case' 1 C--N 1.446 4.761 0 C-N-CA 127.127 2.171 . . . . 0.0 113.655 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -90.94 -56.35 3.21 Favored 'General case' 1 C--N 1.452 5.064 0 C-N-CA 127.187 2.195 . . . . 0.0 114.953 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.1 -33.26 15.54 Favored 'General case' 2 C--N 1.46 5.388 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 -173.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.41 -48.01 4.69 Favored Glycine 2 C--N 1.438 6.242 0 N-CA-C 117.771 1.868 . . . . 0.0 117.771 -173.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.526 98.0 mtt180 89.75 53.54 0.01 OUTLIER 'General case' 2 N--CA 1.582 6.144 0 C-N-CA 130.567 3.547 . . . . 0.0 116.012 -178.793 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -111.43 132.09 54.72 Favored 'General case' 0 C--N 1.421 3.692 0 C-N-CA 127.121 2.168 . . . . 0.0 112.377 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.57 153.72 25.86 Favored 'General case' 0 N--CA 1.526 3.355 0 C-N-CA 128.095 2.558 . . . . 0.0 110.2 169.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -56.89 -25.48 22.23 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.189 0 C-N-CA 128.432 2.693 . . . . 0.0 116.097 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.93 8.82 35.68 Favored 'General case' 1 CA--C 1.666 5.404 0 C-N-CA 128.879 2.872 . . . . 0.0 112.788 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.1 -32.87 24.51 Favored 'General case' 2 C--N 1.486 6.543 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t 45.78 121.89 0.0 OUTLIER 'General case' 2 N--CA 1.598 6.962 0 C-N-CA 129.662 3.185 . . . . 0.0 115.865 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.419 HG21 HG13 ' A' ' 64' ' ' VAL . 16.6 mt -84.77 130.91 35.24 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.243 0 C-N-CA 125.283 1.433 . . . . 0.0 110.829 -176.457 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.263 1.5 pt? -97.56 -45.45 6.4 Favored 'General case' 0 C--N 1.422 3.744 0 CA-C-N 114.366 -1.288 . . . . 0.0 112.279 167.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -132.22 134.57 45.49 Favored 'General case' 1 C--N 1.448 4.85 0 O-C-N 125.01 1.444 . . . . 0.0 113.084 -176.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.419 HG13 HG21 ' A' ' 61' ' ' ILE 0.421 0.0 OUTLIER -120.35 134.63 63.21 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.428 0 C-N-CA 124.801 1.24 . . . . 0.0 111.255 173.819 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 75.31 -10.22 1.27 Allowed 'General case' 2 N--CA 1.606 7.374 0 C-N-CA 129.013 2.925 . . . . 0.0 114.536 -176.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.416 46.8 mt-10 95.83 6.62 0.03 OUTLIER 'General case' 3 N--CA 1.58 6.041 1 C-N-CA 132.039 4.135 . . . . 0.0 111.661 -159.299 . . . . . . . . 4 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.398 30.1 m -94.62 153.38 3.47 Favored 'Isoleucine or valine' 1 C--N 1.467 5.675 0 C-N-CA 127.381 2.272 . . . . 0.0 113.842 178.382 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.444 4.4 p-10 -83.62 101.81 11.75 Favored 'General case' 0 C--N 1.41 3.208 0 C-N-CA 127.264 2.226 . . . . 0.0 115.762 -172.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.456 25.7 m -100.55 -3.77 9.39 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.315 0 CA-C-N 112.611 -2.086 . . . . 0.0 115.312 175.678 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.297 38.3 ptt180 -47.48 -27.55 1.8 Allowed 'General case' 2 N--CA 1.58 6.067 0 C-N-CA 128.762 2.825 . . . . 0.0 117.744 179.149 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -151.02 80.11 1.32 Allowed 'General case' 1 C--N 1.442 4.593 0 C-N-CA 129.854 3.261 . . . . 0.0 108.69 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 18.7 m -142.98 162.37 17.43 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.642 0 C-N-CA 126.852 2.061 . . . . 0.0 110.579 178.105 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.1 164.47 25.66 Favored 'General case' 1 N--CA 1.57 5.569 0 C-N-CA 126.606 1.962 . . . . 0.0 112.217 167.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.271 6.7 p80 -51.27 -54.06 29.56 Favored 'General case' 2 N--CA 1.596 6.868 0 C-N-CA 126.441 1.896 . . . . 0.0 114.253 176.178 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.9 m -60.22 -36.64 78.16 Favored 'General case' 2 N--CA 1.565 5.302 0 C-N-CA 126.816 2.046 . . . . 0.0 113.494 177.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.54 -22.7 63.54 Favored 'General case' 1 C--N 1.455 5.194 0 C-N-CA 128.639 2.776 . . . . 0.0 114.266 174.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -33.98 15.76 Favored 'General case' 1 C--N 1.463 5.536 0 C-N-CA 126.648 1.979 . . . . 0.0 112.727 175.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.0 t -73.2 -41.91 58.31 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.564 0 C-N-CA 127.536 2.335 . . . . 0.0 111.225 176.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -57.78 -30.42 65.64 Favored 'General case' 2 N--CA 1.562 5.15 0 C-N-CA 128.874 2.87 . . . . 0.0 114.812 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.67 -29.11 67.51 Favored 'General case' 1 C--N 1.449 4.905 0 C-N-CA 127.428 2.291 . . . . 0.0 113.092 171.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.01 -29.57 16.53 Favored 'General case' 2 C--N 1.444 4.706 0 C-N-CA 127.375 2.27 . . . . 0.0 114.003 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -85.11 -28.32 25.66 Favored 'General case' 0 C--N 1.424 3.824 0 C-N-CA 127.589 2.356 . . . . 0.0 113.979 174.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.409 9.8 pt-20 -73.81 -44.08 56.89 Favored 'General case' 2 N--CA 1.583 6.194 0 N-CA-C 119.804 3.261 . . . . 0.0 119.804 178.047 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.33 -21.64 9.96 Favored 'General case' 2 C--N 1.45 4.971 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 -172.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.63 -34.77 4.2 Favored Glycine 1 C--N 1.42 5.201 0 N-CA-C 120.592 2.997 . . . . 0.0 120.592 167.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -162.05 -32.7 0.04 OUTLIER 'General case' 1 N--CA 1.544 4.246 0 C-N-CA 126.843 2.057 . . . . 0.0 113.596 -169.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 1.601 ' CA ' ' CB ' ' A' ' 87' ' ' ILE 0.287 45.0 mm -130.36 108.76 16.21 Favored 'Isoleucine or valine' 0 C--N 1.426 3.917 0 C-N-CA 126.664 1.986 . . . . 0.0 108.94 -175.047 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.258 0.0 OUTLIER -113.79 118.94 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.474 0 O-C-N 125.774 1.921 . . . . 0.0 112.422 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.496 ' HB3' HG23 ' A' ' 11' ' ' THR 0.423 37.6 ptt180 -111.42 99.93 8.61 Favored 'General case' 1 N--CA 1.558 4.97 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -176.4 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.94 139.35 30.62 Favored 'General case' 0 N--CA 1.53 3.559 0 C-N-CA 128.092 2.557 . . . . 0.0 113.934 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -119.91 112.32 19.05 Favored 'General case' 1 C--O 1.315 4.518 0 C-N-CA 126.802 2.041 . . . . 0.0 110.75 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.277 33.7 m -106.88 158.7 6.79 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.962 0 O-C-N 127.014 2.696 . . . . 0.0 115.299 -175.371 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.314 25.4 ptt? -124.76 116.94 23.11 Favored 'General case' 1 N--CA 1.562 5.136 0 C-N-CA 127.87 2.468 . . . . 0.0 114.625 -175.117 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 . . . . . 0 N--CA 1.522 3.164 0 C-N-CA 128.594 2.758 . . . . 0.0 110.48 177.093 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.421 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 66.3 m . . . . . 2 N--CA 1.55 4.562 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 1.56 ' CA ' ' CB ' ' B' ' 9' ' ' VAL 0.251 3.1 t . . . . . 2 C--N 1.446 4.8 0 C-N-CA 126.006 1.722 . . . . 0.0 107.931 -176.708 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.338 10.6 pt-20 . . . . . 1 N--CA 1.55 4.534 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 . . . . . . . . . 2 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -102.05 143.16 32.25 Favored 'General case' 1 N--CA 1.551 4.593 0 C-N-CA 125.864 1.666 . . . . 0.0 113.098 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.02 132.57 50.72 Favored 'General case' 1 C--N 1.435 4.308 0 C-N-CA 124.56 1.144 . . . . 0.0 111.003 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -105.54 114.18 28.2 Favored 'General case' 0 C--N 1.42 3.639 0 C-N-CA 126.566 1.946 . . . . 0.0 112.815 176.164 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -112.83 138.92 40.42 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.633 0 C-N-CA 124.805 1.242 . . . . 0.0 108.937 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.534 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.5 m -118.71 120.09 36.37 Favored 'General case' 0 N--CA 1.53 3.549 0 C-N-CA 125.506 1.522 . . . . 0.0 108.957 175.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.1 mt . . . . . 0 N--CA 1.524 3.241 0 C-N-CA 127.366 2.266 . . . . 0.0 112.421 178.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.502 3.033 0 CA-C-O 119.282 -0.732 . . . . 0.0 113.945 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -156.73 166.37 33.57 Favored 'General case' 1 C--N 1.44 4.525 0 C-N-CA 129.207 3.003 . . . . 0.0 109.022 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 73.7 m -132.68 145.04 50.73 Favored 'General case' 1 C--N 1.441 4.568 0 C-N-CA 125.175 1.39 . . . . 0.0 110.705 169.47 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.528 2.2 pp -121.95 127.14 75.3 Favored 'Isoleucine or valine' 2 N--CA 1.579 6.015 0 N-CA-C 119.359 3.096 . . . . 0.0 119.359 -175.475 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.9 117.99 35.41 Favored 'General case' 1 C--N 1.429 4.026 0 CA-C-N 113.782 -1.553 . . . . 0.0 111.525 -177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.8 157.77 26.28 Favored Glycine 0 N--CA 1.512 3.754 0 C-N-CA 125.564 1.554 . . . . 0.0 113.713 -175.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.09 153.8 10.53 Favored Glycine 2 N--CA 1.518 4.122 0 N-CA-C 117.689 1.836 . . . . 0.0 117.689 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 11.5 p -106.06 -44.78 4.5 Favored 'General case' 1 N--CA 1.56 5.041 0 C-N-CA 126.194 1.798 . . . . 0.0 113.014 166.506 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -102.24 -32.36 10.1 Favored 'General case' 1 C--N 1.431 4.134 0 C-N-CA 126.486 1.915 . . . . 0.0 113.133 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 . . . . . 2 CA--C 1.653 4.927 0 C-N-CA 126.902 2.081 . . . . 0.0 111.413 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.9 p . . . . . 1 N--CA 1.553 4.721 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.552 ' CB ' ' CA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -97.06 133.36 38.91 Favored 'Isoleucine or valine' 3 C--N 1.448 4.869 0 C-N-CA 126.474 1.91 . . . . 0.0 109.555 -179.052 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -129.22 156.51 43.84 Favored 'General case' 1 N--CA 1.552 4.664 0 C-N-CA 127.448 2.299 . . . . 0.0 112.195 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -89.03 144.35 9.28 Favored 'Isoleucine or valine' 2 C--N 1.458 5.3 0 C-N-CA 126.1 1.76 . . . . 0.0 109.067 168.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.327 11.5 p -147.36 -25.54 0.38 Allowed 'General case' 1 N--CA 1.556 4.875 0 C-N-CA 127.375 2.27 . . . . 0.0 113.551 -179.168 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.2 tmtm? -126.79 126.88 44.14 Favored 'General case' 1 C--N 1.477 6.117 0 C-N-CA 123.116 0.567 . . . . 0.0 111.277 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.598 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.275 43.5 mm -123.29 130.3 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.617 3.531 0 C-N-CA 126.926 2.09 . . . . 0.0 108.636 173.566 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.295 3.1 mp -83.5 132.45 49.51 Favored Pre-proline 2 CA--C 1.679 5.925 0 C-N-CA 126.56 1.944 . . . . 0.0 110.886 173.595 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.95 -22.36 62.85 Favored 'Trans proline' 3 C--N 1.538 10.519 0 C-N-CA 124.203 3.269 . . . . 0.0 117.678 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.93 39.35 1.83 Allowed Glycine 1 C--N 1.428 5.69 0 CA-C-O 118.071 -1.405 . . . . 0.0 115.806 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.411 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -94.22 -177.64 38.93 Favored Glycine 2 C--N 1.441 6.395 0 C-N-CA 125.467 1.508 . . . . 0.0 116.519 174.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.81 -38.18 28.85 Favored 'General case' 0 N--CA 1.535 3.791 0 C-N-CA 129.118 2.967 . . . . 0.0 115.21 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.52 -23.26 37.4 Favored 'General case' 2 C--N 1.448 4.876 0 C-N-CA 126.829 2.052 . . . . 0.0 116.037 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.97 -41.02 15.24 Favored 'General case' 1 C--N 1.443 4.663 0 C-N-CA 127.047 2.139 . . . . 0.0 113.598 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -90.57 -56.23 3.27 Favored 'General case' 1 C--N 1.448 4.867 0 C-N-CA 127.062 2.145 . . . . 0.0 114.531 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.1 -31.14 16.36 Favored 'General case' 1 C--N 1.459 5.369 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.06 -49.88 3.64 Favored Glycine 2 C--N 1.44 6.349 0 N-CA-C 117.874 1.909 . . . . 0.0 117.874 -173.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.543 8.5 mpt_? 88.95 52.27 0.01 OUTLIER 'General case' 2 N--CA 1.576 5.833 0 C-N-CA 130.553 3.541 . . . . 0.0 116.329 -178.021 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -111.59 129.38 56.09 Favored 'General case' 0 C--N 1.422 3.72 0 C-N-CA 127.311 2.245 . . . . 0.0 112.528 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -112.03 157.84 20.26 Favored 'General case' 0 N--CA 1.532 3.636 0 C-N-CA 128.123 2.569 . . . . 0.0 110.627 170.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.578 HG13 HG12 ' A' ' 43' ' ' ILE 0.278 3.1 m -51.39 -30.4 10.54 Favored 'Isoleucine or valine' 1 N--CA 1.634 8.731 0 C-N-CA 127.718 2.407 . . . . 0.0 116.187 175.645 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.283 9.7 p30 -90.36 8.15 34.97 Favored 'General case' 1 CA--C 1.653 4.909 0 C-N-CA 128.672 2.789 . . . . 0.0 113.724 -178.068 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.08 -34.96 16.57 Favored 'General case' 2 C--N 1.488 6.62 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.269 67.2 m 43.93 120.22 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.681 0 C-N-CA 129.361 3.065 . . . . 0.0 117.07 177.082 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.54 HG21 HG23 ' A' ' 64' ' ' VAL 0.25 15.0 mt -82.47 131.68 33.19 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.15 0 C-N-CA 125.171 1.389 . . . . 0.0 111.038 -175.959 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -97.3 -44.77 6.76 Favored 'General case' 1 C--N 1.429 4.057 0 O-C-N 125.217 1.573 . . . . 0.0 112.505 167.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -133.42 130.3 38.5 Favored 'General case' 1 C--N 1.445 4.722 0 O-C-N 125.161 1.538 . . . . 0.0 111.778 -175.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.54 HG23 HG21 ' A' ' 61' ' ' ILE 0.268 1.0 OUTLIER -119.67 139.89 45.49 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.914 0 CA-C-O 117.41 -1.281 . . . . 0.0 108.939 178.164 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 70.91 -5.37 1.51 Allowed 'General case' 2 N--CA 1.628 8.429 0 C-N-CA 126.794 2.038 . . . . 0.0 114.785 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.393 1.3 mp0 79.93 20.92 0.57 Allowed 'General case' 3 N--CA 1.586 6.374 0 C-N-CA 130.101 3.36 . . . . 0.0 111.589 -156.754 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 64' ' ' VAL 0.261 0.3 OUTLIER -106.24 148.43 10.65 Favored 'Isoleucine or valine' 1 C--N 1.449 4.923 0 C-N-CA 128.311 2.644 . . . . 0.0 109.962 -176.699 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.359 4.2 p-10 -82.87 97.49 8.68 Favored 'General case' 0 C--N 1.401 2.833 0 C-N-CA 127.335 2.254 . . . . 0.0 114.359 -174.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.425 24.0 m -90.71 -9.81 10.27 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.028 0 CA-C-N 112.733 -2.031 . . . . 0.0 114.512 173.737 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -46.14 -25.95 0.68 Allowed 'General case' 2 N--CA 1.597 6.887 0 C-N-CA 128.436 2.694 . . . . 0.0 116.93 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -153.79 76.54 1.07 Allowed 'General case' 2 C--N 1.448 4.876 0 C-N-CA 128.595 2.758 . . . . 0.0 108.009 177.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.579 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.281 18.0 m -138.7 166.15 23.23 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.68 0 C-N-CA 126.525 1.93 . . . . 0.0 109.497 175.001 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.6 p -79.71 162.74 25.01 Favored 'General case' 1 N--CA 1.556 4.838 0 C-N-CA 127.752 2.421 . . . . 0.0 110.969 168.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -47.98 -54.56 12.49 Favored 'General case' 3 N--CA 1.579 5.999 0 C-N-CA 128.616 2.766 . . . . 0.0 111.536 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -62.1 -30.1 70.78 Favored 'General case' 1 C--N 1.453 5.108 0 C-N-CA 127.123 2.169 . . . . 0.0 114.157 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.64 -19.83 51.7 Favored 'General case' 1 C--N 1.481 6.31 0 C-N-CA 126.511 1.924 . . . . 0.0 112.983 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.7 -37.01 15.86 Favored 'General case' 1 C--N 1.468 5.742 0 C-N-CA 126.403 1.881 . . . . 0.0 112.652 172.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -72.28 -41.51 65.93 Favored 'Isoleucine or valine' 3 N--CA 1.593 6.711 0 C-N-CA 126.968 2.107 . . . . 0.0 112.043 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.8 mt-10 -64.7 -18.13 64.72 Favored 'General case' 1 N--CA 1.601 7.125 0 C-N-CA 127.771 2.428 . . . . 0.0 114.819 177.377 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.25 -28.47 47.8 Favored 'General case' 1 CA--C 1.631 4.064 0 C-N-CA 126.663 1.985 . . . . 0.0 112.438 167.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.42 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.6 mt -92.49 -33.83 14.34 Favored 'General case' 2 C--N 1.461 5.416 0 C-N-CA 126.666 1.986 . . . . 0.0 116.211 178.522 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -85.6 -40.04 16.68 Favored 'General case' 0 N--CA 1.538 3.954 0 C-N-CA 127.155 2.182 . . . . 0.0 114.068 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.278 40.0 mt-10 -91.43 -12.95 33.23 Favored 'General case' 2 N--CA 1.581 6.08 0 N-CA-C 120.085 3.365 . . . . 0.0 120.085 -175.694 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.04 -24.76 41.49 Favored 'General case' 3 N--CA 1.605 7.279 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.82 -35.11 4.55 Favored Glycine 1 C--N 1.423 5.376 0 N-CA-C 118.215 2.046 . . . . 0.0 118.215 166.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.0 p -175.58 -33.44 0.01 OUTLIER 'General case' 2 N--CA 1.555 4.787 0 C-N-CA 129.07 2.948 . . . . 0.0 112.943 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.292 42.5 mm -121.87 115.9 47.74 Favored 'Isoleucine or valine' 1 C--N 1.43 4.074 0 C-N-CA 126.256 1.822 . . . . 0.0 109.064 -174.087 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -120.69 117.03 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.26 0 C-N-CA 127.611 2.364 . . . . 0.0 111.22 -177.715 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.534 ' HB3' HG23 ' A' ' 11' ' ' THR 0.41 35.5 ptt180 -113.93 100.24 8.27 Favored 'General case' 1 N--CA 1.559 4.986 0 C-N-CA 126.136 1.774 . . . . 0.0 115.587 -173.83 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.67 143.21 26.52 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.779 2.432 . . . . 0.0 114.175 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -122.75 113.59 19.4 Favored 'General case' 1 C--O 1.315 4.503 0 C-N-CA 127.356 2.262 . . . . 0.0 110.869 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 33.7 m -107.09 159.15 6.82 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.189 0 O-C-N 126.89 2.619 . . . . 0.0 115.308 -175.603 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.305 25.7 ptt? -126.33 117.38 22.87 Favored 'General case' 1 N--CA 1.565 5.309 0 C-N-CA 127.566 2.347 . . . . 0.0 114.409 -175.072 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.318 16.0 ptm180 . . . . . 1 N--CA 1.549 4.522 0 C-N-CA 126.805 2.042 . . . . 0.0 112.893 179.793 . . . . . . . . 2 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.6 m . . . . . 1 N--CA 1.546 4.34 0 N-CA-C 115.987 1.847 . . . . 0.0 115.987 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 2 C--N 1.455 5.159 0 C-N-CA 127.654 2.381 . . . . 0.0 107.272 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.379 11.2 pt-20 . . . . . 1 N--CA 1.554 4.735 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 . . . . . . . . . 2 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.11 142.99 35.92 Favored 'General case' 1 N--CA 1.545 4.287 0 C-N-CA 126.324 1.849 . . . . 0.0 112.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.95 135.15 50.49 Favored 'General case' 1 N--CA 1.539 4.002 0 C-N-CA 125.805 1.642 . . . . 0.0 113.891 -178.197 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.303 11.9 pt-20 -107.62 111.22 23.34 Favored 'General case' 0 C--N 1.426 3.898 0 C-N-CA 126.103 1.761 . . . . 0.0 112.571 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -112.48 141.84 26.77 Favored 'Isoleucine or valine' 2 N--CA 1.554 4.758 0 C-N-CA 125.021 1.329 . . . . 0.0 108.896 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.7 m -120.49 123.91 44.11 Favored 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 125.82 1.648 . . . . 0.0 109.021 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 C--N 1.408 3.113 0 C-N-CA 127.602 2.361 . . . . 0.0 112.525 178.954 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.328 0 N-CA-C 117.156 1.622 . . . . 0.0 117.156 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -156.18 164.11 38.77 Favored 'General case' 1 C--N 1.441 4.557 0 C-N-CA 127.781 2.433 . . . . 0.0 109.896 176.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.608 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 61.2 m -133.8 144.03 48.74 Favored 'General case' 1 C--N 1.441 4.586 0 C-N-CA 125.447 1.499 . . . . 0.0 111.201 171.742 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.525 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.616 2.2 pp -118.36 131.83 69.98 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.419 0 N-CA-C 120.205 3.409 . . . . 0.0 120.205 -173.609 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.98 118.86 37.67 Favored 'General case' 1 C--N 1.455 5.171 0 C-N-CA 126.207 1.803 . . . . 0.0 110.989 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.56 157.1 28.05 Favored Glycine 0 C--N 1.391 3.595 0 O-C-N 124.807 1.317 . . . . 0.0 114.743 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.66 145.54 5.52 Favored Glycine 1 C--N 1.402 4.202 0 N-CA-C 118.068 1.987 . . . . 0.0 118.068 -174.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.252 11.6 p -102.78 -33.82 9.24 Favored 'General case' 1 N--CA 1.559 5.016 0 C-N-CA 126.073 1.749 . . . . 0.0 112.625 164.716 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -106.41 -34.06 7.54 Favored 'General case' 1 C--N 1.437 4.379 0 C-N-CA 125.801 1.64 . . . . 0.0 113.301 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 . . . . . 2 CA--C 1.681 6.009 0 C-N-CA 127.217 2.207 . . . . 0.0 110.928 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.3 p . . . . . 1 N--CA 1.547 4.375 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.267 0.8 OUTLIER -95.37 128.33 46.64 Favored 'Isoleucine or valine' 3 N--CA 1.549 4.518 0 C-N-CA 125.654 1.582 . . . . 0.0 109.985 -176.285 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -130.66 157.19 43.43 Favored 'General case' 2 N--CA 1.548 4.437 0 C-N-CA 127.539 2.336 . . . . 0.0 111.416 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.24 141.11 14.76 Favored 'Isoleucine or valine' 1 C--N 1.461 5.449 0 C-N-CA 126.02 1.728 . . . . 0.0 109.199 171.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.343 1.3 p -148.58 -21.31 0.32 Allowed 'General case' 1 N--CA 1.55 4.567 0 C-N-CA 127.803 2.441 . . . . 0.0 113.765 -175.709 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.608 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 9.0 tmtm? -128.9 127.41 41.72 Favored 'General case' 1 C--N 1.481 6.324 0 C-N-CA 123.367 0.667 . . . . 0.0 110.76 176.216 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.615 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.277 45.8 mm -123.56 132.46 71.33 Favored 'Isoleucine or valine' 0 C--N 1.415 3.438 0 C-N-CA 126.916 2.087 . . . . 0.0 109.145 174.002 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.282 3.2 mp -85.77 129.29 55.2 Favored Pre-proline 1 CA--C 1.679 5.941 0 C-N-CA 126.479 1.912 . . . . 0.0 109.943 172.021 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.96 -19.72 63.98 Favored 'Trans proline' 3 C--N 1.535 10.384 0 C-N-CA 124.192 3.261 . . . . 0.0 117.88 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.49 37.85 2.05 Favored Glycine 1 C--N 1.428 5.683 0 CA-C-O 117.822 -1.543 . . . . 0.0 116.45 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.16 -178.01 40.35 Favored Glycine 3 C--N 1.444 6.575 0 C-N-CA 124.947 1.26 . . . . 0.0 116.045 173.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.98 -37.5 29.19 Favored 'General case' 0 N--CA 1.539 3.997 0 C-N-CA 128.536 2.735 . . . . 0.0 115.688 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.65 35.39 Favored 'General case' 2 C--N 1.445 4.722 0 C-N-CA 127.644 2.378 . . . . 0.0 115.395 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.3 -42.4 20.66 Favored 'General case' 1 C--N 1.452 5.026 0 C-N-CA 127.38 2.272 . . . . 0.0 113.339 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -91.05 -57.89 2.65 Favored 'General case' 1 C--N 1.45 4.944 0 C-N-CA 127.391 2.277 . . . . 0.0 115.021 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.82 -34.14 15.41 Favored 'General case' 1 C--N 1.46 5.394 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 -172.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.07 -43.64 7.03 Favored Glycine 2 C--N 1.44 6.345 0 N-CA-C 117.534 1.774 . . . . 0.0 117.534 -174.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.548 24.7 mmm180 88.31 52.33 0.01 OUTLIER 'General case' 2 N--CA 1.57 5.525 0 C-N-CA 130.777 3.631 . . . . 0.0 116.433 179.646 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tp -111.19 130.26 55.69 Favored 'General case' 0 C--N 1.418 3.548 0 C-N-CA 127.699 2.399 . . . . 0.0 111.568 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.45 156.43 21.66 Favored 'General case' 0 N--CA 1.524 3.273 0 C-N-CA 127.934 2.494 . . . . 0.0 110.305 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.18 -26.89 22.68 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.164 0 C-N-CA 129.042 2.937 . . . . 0.0 115.616 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -91.67 9.08 33.87 Favored 'General case' 1 CA--C 1.673 5.711 0 C-N-CA 129.104 2.962 . . . . 0.0 112.149 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.23 -36.19 18.1 Favored 'General case' 2 C--N 1.488 6.617 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.265 68.8 m 44.84 119.15 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.405 0 C-N-CA 129.734 3.214 . . . . 0.0 117.113 176.973 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.464 HG21 HG13 ' A' ' 64' ' ' VAL . 10.2 mt -83.68 128.32 38.92 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.183 0 C-N-CA 125.185 1.394 . . . . 0.0 110.542 -175.459 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.265 1.5 pt? -94.66 -46.03 7.11 Favored 'General case' 0 C--N 1.424 3.832 0 O-C-N 125.163 1.539 . . . . 0.0 111.996 169.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -131.04 132.9 45.24 Favored 'General case' 2 C--N 1.449 4.924 0 O-C-N 125.049 1.468 . . . . 0.0 113.463 -176.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.464 HG13 HG21 ' A' ' 61' ' ' ILE 0.466 0.0 OUTLIER -118.7 137.13 53.66 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.768 0 C-N-CA 124.474 1.11 . . . . 0.0 112.825 176.29 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.277 0.9 OUTLIER 74.49 -68.55 0.21 Allowed 'General case' 2 N--CA 1.58 6.073 0 C-N-CA 128.501 2.72 . . . . 0.0 112.428 -177.438 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.265 10.4 pt-20 -170.29 6.02 0.02 OUTLIER 'General case' 2 CA--C 1.643 4.551 1 C-N-CA 134.168 4.987 . . . . 0.0 108.941 174.087 . . . . . . . . 4 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.371 33.6 m -99.9 154.48 4.31 Favored 'Isoleucine or valine' 1 C--N 1.452 5.038 0 C-N-CA 127.845 2.458 . . . . 0.0 115.745 -169.015 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.388 4.2 p-10 -90.54 93.44 9.29 Favored 'General case' 0 C--N 1.419 3.59 0 C-N-CA 128.386 2.674 . . . . 0.0 112.542 -177.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG22 HG21 ' A' ' 72' ' ' VAL 0.311 0.5 OUTLIER -93.59 -8.87 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.319 0 CA-C-N 111.507 -2.588 . . . . 0.0 113.332 -179.61 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -56.89 -17.95 11.38 Favored 'General case' 2 N--CA 1.57 5.569 0 C-N-CA 128.041 2.536 . . . . 0.0 114.575 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -152.77 80.03 1.21 Allowed 'General case' 1 C--N 1.46 5.376 0 C-N-CA 128.817 2.847 . . . . 0.0 109.452 177.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.447 HG21 HG22 ' A' ' 69' ' ' VAL . 33.5 m -146.81 165.5 7.31 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.652 0 C-N-CA 127.499 2.32 . . . . 0.0 110.479 179.313 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -76.98 163.72 26.44 Favored 'General case' 1 N--CA 1.57 5.569 0 C-N-CA 126.338 1.855 . . . . 0.0 111.444 165.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.268 12.1 p80 -50.99 -53.78 30.22 Favored 'General case' 2 N--CA 1.598 6.934 0 C-N-CA 126.224 1.81 . . . . 0.0 114.318 177.055 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 t -62.38 -31.95 72.69 Favored 'General case' 3 N--CA 1.554 4.753 0 C-N-CA 126.88 2.072 . . . . 0.0 112.923 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.36 -22.75 61.1 Favored 'General case' 1 C--N 1.452 5.034 0 C-N-CA 128.395 2.678 . . . . 0.0 113.955 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.01 -32.26 15.99 Favored 'General case' 1 C--N 1.465 5.591 0 C-N-CA 126.335 1.854 . . . . 0.0 112.799 173.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.83 -41.06 69.85 Favored 'Isoleucine or valine' 3 N--CA 1.586 6.347 0 C-N-CA 127.409 2.284 . . . . 0.0 111.371 175.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 41.9 mt-10 -65.3 -16.47 63.61 Favored 'General case' 1 N--CA 1.595 6.812 0 C-N-CA 128.313 2.645 . . . . 0.0 115.044 176.62 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.02 -29.34 49.44 Favored 'General case' 0 CA--C 1.624 3.808 0 C-N-CA 126.852 2.061 . . . . 0.0 112.273 166.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.513 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.266 1.4 mt -92.95 -35.27 13.4 Favored 'General case' 2 C--N 1.464 5.564 0 N-CA-C 116.593 2.072 . . . . 0.0 116.593 178.754 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -85.52 -35.63 21.02 Favored 'General case' 1 N--CA 1.543 4.184 0 C-N-CA 127.373 2.269 . . . . 0.0 114.493 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.28 39.3 mt-10 -88.96 -14.12 37.35 Favored 'General case' 2 N--CA 1.585 6.291 0 N-CA-C 119.683 3.216 . . . . 0.0 119.683 -176.501 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.58 67.84 Favored 'General case' 3 N--CA 1.592 6.646 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.21 -34.67 5.6 Favored Glycine 1 C--N 1.422 5.336 0 N-CA-C 119.566 2.586 . . . . 0.0 119.566 165.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 m -168.28 -33.78 0.02 OUTLIER 'General case' 1 N--CA 1.554 4.736 0 C-N-CA 128.648 2.779 . . . . 0.0 112.482 -171.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.272 23.9 mm -124.92 110.7 25.53 Favored 'Isoleucine or valine' 1 C--N 1.441 4.561 0 C-N-CA 125.828 1.651 . . . . 0.0 109.143 -173.093 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.513 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.275 0.0 OUTLIER -119.56 118.15 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.402 0 O-C-N 126.133 2.146 . . . . 0.0 113.09 179.594 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.513 ' HB3' HG23 ' A' ' 11' ' ' THR 0.428 36.3 ptt180 -111.82 105.12 13.51 Favored 'General case' 1 N--CA 1.553 4.698 0 C-N-CA 125.943 1.697 . . . . 0.0 115.227 -177.862 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 138.45 32.1 Favored 'General case' 0 N--CA 1.527 3.384 0 C-N-CA 128.215 2.606 . . . . 0.0 113.95 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -117.52 112.66 20.9 Favored 'General case' 1 C--O 1.309 4.186 0 C-N-CA 126.685 1.994 . . . . 0.0 110.867 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 33.6 m -106.74 159.91 6.34 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.139 0 O-C-N 126.864 2.602 . . . . 0.0 115.491 -175.014 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.318 3.8 ppp? -125.38 116.93 22.66 Favored 'General case' 1 N--CA 1.564 5.249 0 C-N-CA 127.996 2.518 . . . . 0.0 114.121 -176.64 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.532 3.627 0 C-N-CA 127.928 2.491 . . . . 0.0 110.581 178.73 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.525 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 67.5 m . . . . . 0 CA--C 1.627 3.925 0 CA-C-O 119.517 -0.278 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 1 C--N 1.446 4.773 0 C-N-CA 125.833 1.653 . . . . 0.0 107.201 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.372 9.7 pt-20 . . . . . 1 N--CA 1.546 4.346 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 . . . . . . . . . 2 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -103.54 141.82 35.36 Favored 'General case' 1 N--CA 1.542 4.16 0 C-N-CA 126.63 1.972 . . . . 0.0 112.554 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -128.19 130.96 48.82 Favored 'General case' 2 N--CA 1.547 4.381 0 O-C-N 124.531 1.144 . . . . 0.0 111.798 -175.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.296 11.5 pt-20 -103.64 110.7 22.87 Favored 'General case' 0 C--N 1.426 3.902 0 C-N-CA 126.302 1.841 . . . . 0.0 112.789 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mt -111.44 145.99 16.96 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.207 0 C-N-CA 124.655 1.182 . . . . 0.0 110.589 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.23 126.54 51.77 Favored 'General case' 2 N--CA 1.551 4.616 0 C-N-CA 127.052 2.141 . . . . 0.0 113.955 173.249 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.539 4.0 0 C-N-CA 127.436 2.294 . . . . 0.0 113.269 174.789 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.021 0 N-CA-C 115.909 1.124 . . . . 0.0 115.909 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -158.51 167.29 30.03 Favored 'General case' 0 CA--C 1.625 3.836 0 C-N-CA 129.185 2.994 . . . . 0.0 108.771 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.6 m -133.7 145.81 50.23 Favored 'General case' 1 C--N 1.438 4.424 0 C-N-CA 124.357 1.063 . . . . 0.0 110.704 166.79 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.526 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.538 1.9 pp -119.12 126.2 75.15 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.214 0 N-CA-C 119.476 3.139 . . . . 0.0 119.476 -175.437 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.36 118.4 36.55 Favored 'General case' 1 C--N 1.437 4.388 0 CA-C-N 112.664 -2.062 . . . . 0.0 111.1 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.95 162.67 36.46 Favored Glycine 0 N--CA 1.516 3.983 0 C-N-CA 125.103 1.335 . . . . 0.0 114.295 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.17 139.76 3.27 Favored Glycine 2 C--N 1.417 5.079 0 N-CA-C 118.836 2.294 . . . . 0.0 118.836 -172.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.269 7.0 p -101.47 -40.12 7.21 Favored 'General case' 1 N--CA 1.56 5.043 0 C-N-CA 125.958 1.703 . . . . 0.0 113.286 164.554 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.39 -34.05 8.41 Favored 'General case' 2 C--N 1.433 4.204 0 C-N-CA 126.001 1.72 . . . . 0.0 113.264 177.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 . . . . . 2 C--N 1.446 4.761 0 C-N-CA 126.891 2.076 . . . . 0.0 112.67 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 1 N--CA 1.554 4.765 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.264 2.2 mm -96.09 111.64 26.73 Favored 'Isoleucine or valine' 3 C--N 1.451 4.98 0 C-N-CA 126.083 1.753 . . . . 0.0 108.477 -179.858 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -122.28 149.97 42.98 Favored 'General case' 1 N--CA 1.539 4.005 0 C-N-CA 130.029 3.332 . . . . 0.0 111.801 -170.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.35 141.7 13.94 Favored 'Isoleucine or valine' 2 C--N 1.451 5.02 0 C-N-CA 125.486 1.514 . . . . 0.0 110.17 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.312 3.2 p -145.66 -26.62 0.46 Allowed 'General case' 1 N--CA 1.556 4.834 0 C-N-CA 127.668 2.387 . . . . 0.0 113.573 -177.835 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.278 51.2 tptt -121.83 127.63 50.77 Favored 'General case' 1 C--N 1.465 5.591 0 C-N-CA 124.459 1.103 . . . . 0.0 112.636 177.074 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.619 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.269 42.1 mm -127.41 124.26 63.46 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.285 0 C-N-CA 127.522 2.329 . . . . 0.0 108.102 173.143 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.297 3.7 mp -78.17 131.2 69.98 Favored Pre-proline 2 CA--C 1.682 6.02 0 C-N-CA 126.505 1.922 . . . . 0.0 110.884 171.834 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.93 -22.4 55.86 Favored 'Trans proline' 3 C--N 1.535 10.371 0 C-N-CA 124.231 3.288 . . . . 0.0 117.427 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.82 43.0 1.33 Allowed Glycine 1 C--N 1.43 5.757 0 CA-C-O 118.307 -1.274 . . . . 0.0 115.815 178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.84 -177.97 32.14 Favored Glycine 2 C--N 1.438 6.248 0 C-N-CA 125.362 1.458 . . . . 0.0 115.216 173.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.92 -37.33 29.78 Favored 'General case' 0 N--CA 1.536 3.835 0 C-N-CA 127.887 2.475 . . . . 0.0 115.689 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.65 -22.86 40.13 Favored 'General case' 2 N--CA 1.556 4.829 0 C-N-CA 126.547 1.939 . . . . 0.0 115.739 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.28 -42.59 14.49 Favored 'General case' 1 C--N 1.446 4.783 0 C-N-CA 127.26 2.224 . . . . 0.0 113.401 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -90.94 -57.02 2.95 Favored 'General case' 1 C--N 1.449 4.934 0 C-N-CA 127.164 2.186 . . . . 0.0 114.812 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.04 -33.0 15.69 Favored 'General case' 1 C--N 1.46 5.376 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 -173.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.03 -47.0 5.44 Favored Glycine 2 C--N 1.441 6.372 0 N-CA-C 117.522 1.769 . . . . 0.0 117.522 -173.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.584 98.7 mtt180 88.24 52.57 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.823 0 C-N-CA 130.438 3.495 . . . . 0.0 116.76 -179.192 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tp -111.38 130.49 55.68 Favored 'General case' 0 C--N 1.416 3.471 0 C-N-CA 127.662 2.385 . . . . 0.0 111.494 171.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.41 154.64 24.34 Favored 'General case' 0 N--CA 1.526 3.339 0 C-N-CA 127.724 2.41 . . . . 0.0 110.344 169.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.9 p -54.81 -27.6 18.78 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.424 0 C-N-CA 129.009 2.924 . . . . 0.0 115.896 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.291 28.5 p30 -91.51 8.56 35.91 Favored 'General case' 1 CA--C 1.654 4.972 0 C-N-CA 128.836 2.855 . . . . 0.0 113.942 178.133 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.07 -34.05 22.33 Favored 'General case' 2 C--N 1.491 6.733 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 m 45.49 118.41 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.397 0 C-N-CA 129.047 2.939 . . . . 0.0 116.389 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.516 HG21 HG13 ' A' ' 64' ' ' VAL . 6.0 mt -84.81 127.63 39.69 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.783 0 C-N-CA 124.697 1.199 . . . . 0.0 110.307 -175.22 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.258 1.4 pt? -94.05 -42.9 8.77 Favored 'General case' 1 C--N 1.431 4.138 0 O-C-N 125.139 1.524 . . . . 0.0 112.438 170.477 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -134.44 132.66 39.59 Favored 'General case' 2 C--N 1.448 4.853 0 O-C-N 124.721 1.263 . . . . 0.0 113.831 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.516 HG13 HG21 ' A' ' 61' ' ' ILE 0.512 3.0 m -116.56 136.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.413 3.327 0 C-N-CA 124.97 1.308 . . . . 0.0 113.197 173.707 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.292 2.0 m120 71.91 -78.04 0.05 Allowed 'General case' 2 N--CA 1.553 4.695 0 C-N-CA 128.912 2.885 . . . . 0.0 112.042 179.389 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -151.71 4.74 0.43 Allowed 'General case' 2 CA--C 1.641 4.48 1 C-N-CA 132.672 4.389 . . . . 0.0 108.625 170.762 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.346 31.6 m -100.75 156.25 4.3 Favored 'Isoleucine or valine' 1 C--N 1.455 5.182 0 C-N-CA 127.915 2.486 . . . . 0.0 115.372 -168.444 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.403 4.4 p30 -85.3 95.8 9.33 Favored 'General case' 0 C--N 1.413 3.35 0 C-N-CA 127.58 2.352 . . . . 0.0 114.714 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.556 3.6 m -93.6 33.07 0.15 Allowed 'Isoleucine or valine' 1 N--CA 1.557 4.911 0 CA-C-O 123.504 1.621 . . . . 0.0 114.482 170.079 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -82.56 -35.71 26.94 Favored 'General case' 0 N--CA 1.532 3.672 0 CA-C-N 111.791 -2.459 . . . . 0.0 112.9 170.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . 0.308 0.1 OUTLIER -159.03 91.52 1.04 Allowed 'General case' 1 C--N 1.492 6.78 0 C-N-CA 128.003 2.521 . . . . 0.0 110.815 179.818 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.279 27.8 m -142.46 166.02 16.24 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.328 0 C-N-CA 126.908 2.083 . . . . 0.0 109.859 175.543 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -76.85 158.07 31.04 Favored 'General case' 1 N--CA 1.56 5.026 0 C-N-CA 125.833 1.653 . . . . 0.0 111.77 167.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -48.98 -54.64 14.74 Favored 'General case' 3 N--CA 1.581 6.078 0 C-N-CA 128.434 2.694 . . . . 0.0 112.392 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -61.58 -34.67 76.0 Favored 'General case' 2 C--N 1.456 5.233 0 C-N-CA 126.751 2.02 . . . . 0.0 113.427 176.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.79 -22.65 62.34 Favored 'General case' 2 C--N 1.46 5.372 0 C-N-CA 128.106 2.562 . . . . 0.0 114.424 174.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.29 -30.55 17.42 Favored 'General case' 1 C--N 1.461 5.426 0 C-N-CA 126.553 1.941 . . . . 0.0 112.926 175.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.99 -41.71 27.58 Favored 'Isoleucine or valine' 3 N--CA 1.583 6.19 0 C-N-CA 127.204 2.201 . . . . 0.0 110.695 174.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.93 -24.0 67.65 Favored 'General case' 2 N--CA 1.598 6.95 0 C-N-CA 128.585 2.754 . . . . 0.0 115.615 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.55 -29.31 63.45 Favored 'General case' 1 C--N 1.43 4.078 0 C-N-CA 126.479 1.911 . . . . 0.0 111.751 168.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.253 12.4 mt -94.37 -25.72 16.84 Favored 'General case' 1 C--N 1.453 5.105 0 C-N-CA 127.868 2.467 . . . . 0.0 116.344 179.81 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -90.28 -36.72 14.54 Favored 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 127.156 2.183 . . . . 0.0 113.586 174.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.267 39.8 mt-10 -90.52 -16.84 28.11 Favored 'General case' 2 N--CA 1.597 6.901 0 N-CA-C 120.048 3.351 . . . . 0.0 120.048 -176.544 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.55 -22.46 13.23 Favored 'General case' 3 N--CA 1.6 7.063 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.99 -35.01 4.91 Favored Glycine 1 C--N 1.424 5.43 0 N-CA-C 120.092 2.797 . . . . 0.0 120.092 164.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 t -175.25 -30.75 0.01 OUTLIER 'General case' 1 N--CA 1.577 5.881 0 C-N-CA 128.426 2.69 . . . . 0.0 110.935 -175.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.288 36.4 mm -126.44 129.7 71.84 Favored 'Isoleucine or valine' 1 C--N 1.44 4.506 0 C-N-CA 125.641 1.576 . . . . 0.0 109.1 179.34 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.365 22.0 m -123.32 123.59 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.596 0 C-N-CA 127.901 2.48 . . . . 0.0 112.365 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.411 34.0 ptt180 -111.83 124.82 53.16 Favored 'General case' 1 N--CA 1.544 4.245 0 C-N-CA 126.286 1.834 . . . . 0.0 114.884 -179.899 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 139.22 48.91 Favored 'General case' 0 N--CA 1.523 3.176 0 C-N-CA 128.095 2.558 . . . . 0.0 113.414 177.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -119.47 111.1 17.7 Favored 'General case' 0 C--O 1.302 3.852 0 C-N-CA 126.801 2.04 . . . . 0.0 110.498 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.256 32.9 m -106.53 160.96 5.88 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.471 0 O-C-N 126.535 2.397 . . . . 0.0 115.008 -174.781 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.338 0.0 OUTLIER -122.16 115.71 22.9 Favored 'General case' 1 N--CA 1.561 5.1 0 C-N-CA 127.272 2.229 . . . . 0.0 113.306 -177.926 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 . . . . . 0 N--CA 1.535 3.789 0 C-N-CA 127.601 2.361 . . . . 0.0 111.652 -178.246 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.526 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 67.9 m . . . . . 2 N--CA 1.56 5.074 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 2 N--CA 1.553 4.709 0 C-N-CA 126.637 1.975 . . . . 0.0 109.184 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.362 11.1 pt-20 . . . . . 1 N--CA 1.551 4.618 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 . . . . . . . . . 2 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -108.13 145.22 34.44 Favored 'General case' 1 N--CA 1.55 4.541 0 C-N-CA 126.242 1.817 . . . . 0.0 113.12 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -130.7 135.68 48.05 Favored 'General case' 2 C--N 1.439 4.493 0 C-N-CA 124.937 1.295 . . . . 0.0 111.078 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.283 11.7 pt-20 -107.2 113.96 27.71 Favored 'General case' 0 C--N 1.426 3.902 0 C-N-CA 126.442 1.897 . . . . 0.0 112.659 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt -113.06 141.75 27.68 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.13 0 C-N-CA 124.673 1.189 . . . . 0.0 110.286 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.262 0.6 OUTLIER -113.18 123.03 49.26 Favored 'General case' 1 N--CA 1.54 4.04 0 C-N-CA 126.738 2.015 . . . . 0.0 113.09 170.703 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 mt . . . . . 0 N--CA 1.523 3.206 0 C-N-CA 127.601 2.36 . . . . 0.0 112.285 176.762 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.497 2.753 0 N-CA-C 116.719 1.447 . . . . 0.0 116.719 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -159.91 170.84 20.53 Favored 'General case' 2 C--N 1.458 5.298 0 C-N-CA 127.356 2.262 . . . . 0.0 110.687 172.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.492 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 72.9 m -140.62 142.78 35.0 Favored 'General case' 1 C--N 1.45 4.966 0 C-N-CA 126.165 1.786 . . . . 0.0 110.053 166.591 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.397 0.1 OUTLIER -110.67 132.37 59.27 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.007 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -176.901 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.47 118.1 35.72 Favored 'General case' 1 C--N 1.452 5.042 0 O-C-N 124.898 1.374 . . . . 0.0 110.911 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.59 155.89 26.86 Favored Glycine 0 C--N 1.386 3.318 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.434 -175.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.05 140.54 3.51 Favored Glycine 1 C--N 1.398 4.018 0 N-CA-C 118.352 2.101 . . . . 0.0 118.352 -172.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 9.3 p -100.69 -35.45 9.47 Favored 'General case' 1 N--CA 1.558 4.939 0 C-N-CA 126.196 1.799 . . . . 0.0 113.382 165.973 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -104.0 -36.7 7.65 Favored 'General case' 1 C--N 1.434 4.251 0 C-N-CA 125.608 1.563 . . . . 0.0 113.2 177.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 2 CA--C 1.678 5.89 0 C-N-CA 127.134 2.174 . . . . 0.0 110.652 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 1 N--CA 1.566 5.33 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.253 0.5 OUTLIER -97.05 125.11 50.15 Favored 'Isoleucine or valine' 2 C--N 1.451 4.978 0 C-N-CA 125.963 1.705 . . . . 0.0 109.535 -178.895 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . 0.314 20.3 p90 -141.91 157.83 44.51 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 128.034 2.533 . . . . 0.0 113.589 -177.483 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -84.06 144.71 9.37 Favored 'Isoleucine or valine' 2 C--N 1.447 4.846 0 C-N-CA 126.96 2.104 . . . . 0.0 111.187 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.303 5.9 p -147.61 -29.2 0.34 Allowed 'General case' 1 N--CA 1.549 4.48 0 C-N-CA 128.063 2.545 . . . . 0.0 113.659 -178.386 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.2 tmtm? -122.15 124.89 44.93 Favored 'General case' 1 C--N 1.475 6.033 0 O-C-N 123.644 0.59 . . . . 0.0 111.103 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.625 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 40.3 mm -123.53 128.74 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.38 0 C-N-CA 127.179 2.192 . . . . 0.0 108.222 173.289 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.305 3.9 mp -80.68 134.42 54.03 Favored Pre-proline 2 CA--C 1.682 6.039 0 C-N-CA 125.72 1.608 . . . . 0.0 111.477 172.756 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -66.37 -23.24 51.5 Favored 'Trans proline' 3 C--N 1.537 10.498 0 C-N-CA 124.22 3.28 . . . . 0.0 117.607 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.41 43.92 1.25 Allowed Glycine 1 C--N 1.43 5.753 0 CA-C-O 118.264 -1.298 . . . . 0.0 115.673 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.443 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -101.75 -177.25 28.27 Favored Glycine 2 C--N 1.434 6.003 0 C-N-CA 125.577 1.561 . . . . 0.0 115.839 175.064 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.42 -35.36 35.25 Favored 'General case' 0 N--CA 1.538 3.965 0 C-N-CA 128.025 2.53 . . . . 0.0 115.814 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.4 38.4 Favored 'General case' 2 N--CA 1.555 4.778 0 C-N-CA 126.539 1.936 . . . . 0.0 116.159 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.69 -41.32 14.28 Favored 'General case' 1 C--N 1.442 4.589 0 C-N-CA 127.082 2.153 . . . . 0.0 113.639 177.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -90.91 -56.73 3.06 Favored 'General case' 2 C--N 1.449 4.897 0 C-N-CA 126.96 2.104 . . . . 0.0 114.653 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -90.93 -33.12 15.72 Favored 'General case' 1 C--N 1.46 5.398 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -174.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.48 -48.95 4.33 Favored Glycine 2 C--N 1.441 6.372 0 N-CA-C 117.657 1.823 . . . . 0.0 117.657 -173.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.537 99.2 mtt180 88.01 50.57 0.01 OUTLIER 'General case' 2 N--CA 1.582 6.166 0 C-N-CA 130.425 3.49 . . . . 0.0 116.26 -179.209 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.62 127.85 55.87 Favored 'General case' 0 C--N 1.42 3.666 0 C-N-CA 127.647 2.379 . . . . 0.0 111.958 172.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -111.76 160.42 17.33 Favored 'General case' 0 N--CA 1.532 3.631 0 C-N-CA 128.171 2.588 . . . . 0.0 110.59 170.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG13 HG12 ' A' ' 43' ' ' ILE 0.276 2.9 m -52.63 -29.85 14.26 Favored 'Isoleucine or valine' 1 N--CA 1.629 8.494 0 C-N-CA 127.704 2.401 . . . . 0.0 116.07 175.047 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -90.58 7.94 36.65 Favored 'General case' 1 CA--C 1.667 5.454 0 C-N-CA 128.992 2.917 . . . . 0.0 112.098 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.33 -35.93 15.82 Favored 'General case' 2 C--N 1.49 6.674 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m 45.96 118.23 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.704 0 C-N-CA 129.393 3.077 . . . . 0.0 116.394 175.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.591 HG21 HG23 ' A' ' 64' ' ' VAL 0.251 7.7 mt -85.33 131.15 34.92 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.2 0 C-N-CA 124.381 1.072 . . . . 0.0 110.657 -175.68 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -95.86 -45.04 7.13 Favored 'General case' 0 C--N 1.427 3.958 0 O-C-N 125.203 1.565 . . . . 0.0 112.45 168.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -131.09 121.6 25.24 Favored 'General case' 1 C--N 1.453 5.087 0 O-C-N 124.944 1.403 . . . . 0.0 113.432 -175.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.591 HG23 HG21 ' A' ' 61' ' ' ILE 0.381 2.1 p -120.45 129.57 75.41 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.92 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -176.011 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.3 t30 73.2 3.19 4.58 Favored 'General case' 2 N--CA 1.622 8.15 0 C-N-CA 129.005 2.922 . . . . 0.0 111.25 -170.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.409 45.0 mt-10 84.3 15.26 0.24 Allowed 'General case' 3 N--CA 1.573 5.724 0 C-N-CA 131.204 3.802 . . . . 0.0 112.202 -160.882 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 64' ' ' VAL 0.359 4.6 m -92.2 155.87 3.07 Favored 'Isoleucine or valine' 1 C--N 1.474 6.004 0 C-N-CA 126.606 1.963 . . . . 0.0 112.917 -178.42 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.79 99.28 11.99 Favored 'General case' 0 CA--C 1.608 3.192 0 O-C-N 126.029 2.081 . . . . 0.0 111.114 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.502 29.0 m -93.21 -17.33 7.41 Favored 'Isoleucine or valine' 1 N--CA 1.559 4.977 0 CA-C-N 111.644 -2.525 . . . . 0.0 116.843 177.205 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.374 38.6 ptt180 -44.04 -26.18 0.27 Allowed 'General case' 2 N--CA 1.589 6.498 0 N-CA-C 118.68 2.844 . . . . 0.0 118.68 -177.145 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -145.96 78.07 1.51 Allowed 'General case' 1 C--N 1.442 4.614 0 C-N-CA 129.395 3.078 . . . . 0.0 108.864 175.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.549 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.289 17.7 m -142.04 162.65 19.66 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.64 0 C-N-CA 126.729 2.012 . . . . 0.0 110.858 178.327 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 p -78.44 164.42 24.78 Favored 'General case' 1 N--CA 1.57 5.54 0 C-N-CA 126.706 2.002 . . . . 0.0 111.489 167.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.253 11.7 p80 -52.99 -51.29 62.11 Favored 'General case' 2 N--CA 1.597 6.898 0 C-N-CA 126.176 1.79 . . . . 0.0 113.869 175.892 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.1 p -56.85 -37.84 71.85 Favored 'General case' 2 N--CA 1.558 4.955 0 C-N-CA 127.321 2.248 . . . . 0.0 114.139 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.88 -22.8 62.23 Favored 'General case' 2 C--N 1.446 4.77 0 C-N-CA 128.979 2.912 . . . . 0.0 114.476 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.46 -29.53 17.89 Favored 'General case' 1 C--N 1.459 5.34 0 C-N-CA 127.184 2.194 . . . . 0.0 113.352 174.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.46 -40.75 29.05 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.561 0 C-N-CA 127.714 2.406 . . . . 0.0 110.447 173.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.08 -21.78 66.41 Favored 'General case' 2 N--CA 1.595 6.799 0 C-N-CA 128.944 2.897 . . . . 0.0 115.774 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.2 61.52 Favored 'General case' 0 C--N 1.422 3.744 0 C-N-CA 126.938 2.095 . . . . 0.0 111.44 169.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.448 ' HA ' HG21 ' A' ' 88' ' ' VAL 0.258 15.4 mt -92.53 -38.13 12.11 Favored 'General case' 1 C--N 1.46 5.412 0 C-N-CA 127.521 2.328 . . . . 0.0 115.882 178.54 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -79.36 -35.02 41.51 Favored 'General case' 1 N--CA 1.546 4.361 0 C-N-CA 128.159 2.584 . . . . 0.0 113.264 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.29 40.8 mt-10 -87.28 -23.56 24.64 Favored 'General case' 2 N--CA 1.593 6.68 0 N-CA-C 119.754 3.242 . . . . 0.0 119.754 -177.664 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -23.89 64.06 Favored 'General case' 3 N--CA 1.59 6.556 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.35 -35.02 5.18 Favored Glycine 1 C--N 1.425 5.515 0 N-CA-C 120.188 2.835 . . . . 0.0 120.188 166.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.8 t -167.77 -33.12 0.02 OUTLIER 'General case' 1 N--CA 1.553 4.7 0 C-N-CA 127.715 2.406 . . . . 0.0 111.504 -172.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.3 26.4 mm -125.78 116.26 45.6 Favored 'Isoleucine or valine' 2 C--N 1.444 4.682 0 C-N-CA 125.262 1.425 . . . . 0.0 109.534 -175.876 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.448 HG21 ' HA ' ' A' ' 81' ' ' LEU 0.327 0.8 OUTLIER -120.94 125.36 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.148 0 C-N-CA 128.638 2.775 . . . . 0.0 111.559 -176.191 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.4 30.2 ptt180 -117.68 102.0 8.79 Favored 'General case' 1 N--CA 1.564 5.265 0 C-N-CA 126.637 1.975 . . . . 0.0 115.731 -174.486 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.49 137.39 34.61 Favored 'General case' 0 C--N 1.416 3.492 0 C-N-CA 127.028 2.131 . . . . 0.0 113.947 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -117.45 112.33 20.51 Favored 'General case' 0 C--O 1.305 3.999 0 C-N-CA 126.722 2.009 . . . . 0.0 110.765 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.268 35.0 m -106.11 159.66 6.05 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.176 0 O-C-N 126.719 2.512 . . . . 0.0 115.249 -174.434 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.302 26.0 ptt? -125.15 117.15 23.26 Favored 'General case' 1 N--CA 1.563 5.196 0 C-N-CA 127.778 2.431 . . . . 0.0 114.09 -175.349 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 . . . . . 0 CA--C 1.616 3.497 0 C-N-CA 127.91 2.484 . . . . 0.0 108.666 178.359 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 2 CA--C 1.643 4.523 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.262 2.9 t . . . . . 2 N--CA 1.552 4.632 0 C-N-CA 126.786 2.034 . . . . 0.0 109.651 -174.373 . . . . . . . . 2 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.353 10.3 pt-20 . . . . . 0 N--CA 1.538 3.937 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -100.55 142.27 32.26 Favored 'General case' 1 N--CA 1.543 4.195 0 C-N-CA 126.521 1.928 . . . . 0.0 113.314 -174.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -127.08 132.86 50.56 Favored 'General case' 1 C--N 1.432 4.195 0 C-N-CA 124.748 1.219 . . . . 0.0 110.78 -177.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.294 11.7 pt-20 -105.96 112.72 25.89 Favored 'General case' 0 C--N 1.42 3.657 0 C-N-CA 126.442 1.897 . . . . 0.0 112.595 175.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -111.64 139.24 36.87 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.623 0 C-N-CA 124.726 1.21 . . . . 0.0 109.265 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.8 m -121.57 121.06 36.59 Favored 'General case' 0 N--CA 1.529 3.478 0 C-N-CA 126.003 1.721 . . . . 0.0 108.284 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt . . . . . 0 C--N 1.403 2.9 0 C-N-CA 127.372 2.269 . . . . 0.0 111.537 179.045 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.516 3.985 0 N-CA-C 117.009 1.564 . . . . 0.0 117.009 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -154.96 169.17 24.7 Favored 'General case' 1 C--N 1.449 4.921 0 C-N-CA 127.315 2.246 . . . . 0.0 109.932 176.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 70.8 m -136.2 143.24 44.27 Favored 'General case' 1 C--N 1.444 4.699 0 C-N-CA 125.208 1.403 . . . . 0.0 110.484 169.229 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.544 2.1 pp -120.82 125.82 74.51 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.676 0 N-CA-C 119.444 3.127 . . . . 0.0 119.444 -176.788 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.26 131.85 49.99 Favored 'General case' 1 C--N 1.442 4.59 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.156 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.74 167.58 33.68 Favored Glycine 1 N--CA 1.519 4.178 0 C-N-CA 125.338 1.446 . . . . 0.0 113.642 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.37 125.22 0.87 Allowed Glycine 1 C--N 1.403 4.254 0 N-CA-C 119.444 2.538 . . . . 0.0 119.444 176.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.279 16.3 p -96.86 -30.42 13.15 Favored 'General case' 1 N--CA 1.566 5.355 0 C-N-CA 125.083 1.353 . . . . 0.0 113.019 162.3 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -109.77 -37.15 5.73 Favored 'General case' 1 C--N 1.436 4.345 0 C-N-CA 124.797 1.239 . . . . 0.0 112.965 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 . . . . . 2 CA--C 1.649 4.772 0 C-N-CA 126.944 2.097 . . . . 0.0 114.04 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 1 N--CA 1.559 4.988 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.602 ' CB ' ' CA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -89.95 128.7 41.75 Favored 'Isoleucine or valine' 3 CA--C 1.662 5.273 0 C-N-CA 128.049 2.54 . . . . 0.0 108.74 175.765 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -141.67 166.45 24.7 Favored 'General case' 2 C--O 1.33 5.324 0 C-N-CA 126.907 2.083 . . . . 0.0 110.781 175.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -87.86 139.87 16.68 Favored 'Isoleucine or valine' 1 C--N 1.466 5.663 0 C-N-CA 126.435 1.894 . . . . 0.0 108.209 169.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 6.3 p -142.94 -25.95 0.6 Allowed 'General case' 1 N--CA 1.553 4.715 0 C-N-CA 127.307 2.243 . . . . 0.0 113.485 -175.064 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 10.2 tmtt? -128.4 128.42 44.44 Favored 'General case' 1 C--N 1.475 6.051 0 C-N-CA 123.482 0.713 . . . . 0.0 111.156 178.32 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.624 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.273 46.0 mm -124.37 130.68 73.53 Favored 'Isoleucine or valine' 0 C--N 1.414 3.379 0 C-N-CA 127.056 2.142 . . . . 0.0 108.577 174.577 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.3 mp -86.54 129.66 52.17 Favored Pre-proline 1 CA--C 1.679 5.941 0 C-N-CA 126.22 1.808 . . . . 0.0 110.263 173.436 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.75 -21.81 69.59 Favored 'Trans proline' 3 C--N 1.538 10.551 0 C-N-CA 124.436 3.424 . . . . 0.0 117.888 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.06 38.94 1.93 Allowed Glycine 1 C--N 1.428 5.676 0 CA-C-O 118.068 -1.407 . . . . 0.0 116.14 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.16 -177.8 38.97 Favored Glycine 2 C--N 1.442 6.449 0 C-N-CA 125.232 1.396 . . . . 0.0 116.35 174.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.99 -37.66 28.88 Favored 'General case' 0 N--CA 1.536 3.858 0 C-N-CA 128.686 2.794 . . . . 0.0 115.589 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.68 -25.76 35.26 Favored 'General case' 2 N--CA 1.555 4.81 0 C-N-CA 127.826 2.451 . . . . 0.0 115.851 177.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 -40.97 19.11 Favored 'General case' 1 C--N 1.45 4.965 0 C-N-CA 127.535 2.334 . . . . 0.0 113.323 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -90.7 -58.14 2.58 Favored 'General case' 1 C--N 1.451 4.983 0 C-N-CA 127.329 2.251 . . . . 0.0 114.23 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.39 -29.31 17.15 Favored 'General case' 2 C--N 1.46 5.371 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -37.44 13.19 Favored Glycine 2 C--N 1.438 6.242 0 N-CA-C 118.14 2.016 . . . . 0.0 118.14 -172.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.411 32.1 mmt180 87.46 17.34 0.08 Allowed 'General case' 2 N--CA 1.595 6.8 0 C-N-CA 130.094 3.358 . . . . 0.0 115.736 179.258 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 tp -90.69 127.82 36.43 Favored 'General case' 1 C--N 1.436 4.348 0 C-N-CA 126.786 2.034 . . . . 0.0 112.941 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.06 155.15 23.21 Favored 'General case' 0 N--CA 1.522 3.172 0 C-N-CA 128.369 2.668 . . . . 0.0 110.2 172.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.3 -26.66 22.64 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.1 0 C-N-CA 128.91 2.884 . . . . 0.0 115.944 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -91.85 8.85 35.36 Favored 'General case' 1 CA--C 1.67 5.579 0 C-N-CA 128.733 2.813 . . . . 0.0 112.305 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.37 -33.77 21.93 Favored 'General case' 2 C--N 1.489 6.647 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.26 68.8 m 45.94 120.09 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.401 0 C-N-CA 129.826 3.25 . . . . 0.0 116.811 175.719 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.592 HG21 HG13 ' A' ' 64' ' ' VAL . 10.3 mt -83.88 130.78 35.3 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.924 0 C-N-CA 124.892 1.277 . . . . 0.0 110.686 -176.507 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.269 1.5 pt? -96.0 -45.75 6.79 Favored 'General case' 1 C--N 1.433 4.202 0 O-C-N 125.295 1.622 . . . . 0.0 112.558 167.842 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.65 132.15 45.28 Favored 'General case' 2 C--N 1.449 4.923 0 O-C-N 124.764 1.29 . . . . 0.0 114.382 -176.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.592 HG13 HG21 ' A' ' 61' ' ' ILE 0.554 1.1 m -118.73 131.5 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.828 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 175.499 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.259 12.8 t-20 77.12 -74.15 0.08 Allowed 'General case' 2 N--CA 1.571 5.592 0 C-N-CA 130.78 3.632 . . . . 0.0 108.937 -176.07 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -156.92 5.03 0.15 Allowed 'General case' 1 CA--C 1.671 5.604 1 C-N-CA 132.565 4.346 . . . . 0.0 106.884 171.074 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 64' ' ' VAL 0.392 5.5 m -92.93 154.83 3.17 Favored 'Isoleucine or valine' 1 C--N 1.463 5.523 0 C-N-CA 127.897 2.479 . . . . 0.0 115.218 -169.687 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.06 100.38 12.6 Favored 'General case' 0 C--N 1.41 3.199 0 CA-C-N 111.89 -2.414 . . . . 0.0 111.51 -175.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.384 0.9 OUTLIER -103.81 19.28 4.01 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.032 0 C-N-CA 127.409 2.284 . . . . 0.0 112.235 177.389 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.93 -28.06 61.33 Favored 'General case' 1 N--CA 1.548 4.445 0 C-N-CA 128.227 2.611 . . . . 0.0 113.145 171.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -159.64 84.51 0.76 Allowed 'General case' 1 C--N 1.477 6.11 0 C-N-CA 127.985 2.514 . . . . 0.0 110.206 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.281 35.2 m -146.72 169.14 5.24 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.354 0 C-N-CA 127.248 2.219 . . . . 0.0 110.909 176.905 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -80.21 161.66 25.07 Favored 'General case' 1 N--CA 1.56 5.036 0 C-N-CA 126.654 1.982 . . . . 0.0 110.548 166.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.274 19.5 p80 -53.46 -50.73 64.67 Favored 'General case' 2 N--CA 1.604 7.265 0 C-N-CA 125.038 1.335 . . . . 0.0 114.312 177.033 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.3 p -56.06 -37.32 69.12 Favored 'General case' 2 N--CA 1.556 4.858 0 C-N-CA 127.562 2.345 . . . . 0.0 114.167 175.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.26 -23.75 62.04 Favored 'General case' 1 C--N 1.447 4.813 0 C-N-CA 129.015 2.926 . . . . 0.0 114.396 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.46 -29.52 17.9 Favored 'General case' 1 C--N 1.461 5.454 0 C-N-CA 126.54 1.936 . . . . 0.0 113.117 174.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -74.67 -40.8 47.79 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.828 0 C-N-CA 127.645 2.378 . . . . 0.0 110.566 173.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -61.39 -26.12 67.64 Favored 'General case' 2 N--CA 1.574 5.746 0 C-N-CA 129.37 3.068 . . . . 0.0 115.117 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.37 -27.79 62.62 Favored 'General case' 1 C--N 1.442 4.625 0 C-N-CA 128.212 2.605 . . . . 0.0 112.141 170.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -92.12 -31.23 15.59 Favored 'General case' 1 C--N 1.455 5.162 0 C-N-CA 127.822 2.449 . . . . 0.0 115.313 178.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -83.24 -24.97 32.1 Favored 'General case' 0 N--CA 1.53 3.528 0 C-N-CA 127.795 2.438 . . . . 0.0 113.003 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.392 10.7 pt-20 -72.86 -45.54 57.73 Favored 'General case' 2 N--CA 1.58 6.029 0 N-CA-C 118.856 2.91 . . . . 0.0 118.856 175.387 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -19.84 63.55 Favored 'General case' 3 C--N 1.451 5.003 0 C-N-CA 126.42 1.888 . . . . 0.0 115.502 -174.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.09 -34.61 1.94 Allowed Glycine 1 C--N 1.42 5.226 0 N-CA-C 122.385 3.714 . . . . 0.0 122.385 168.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -154.74 -32.24 0.1 Allowed 'General case' 0 N--CA 1.539 3.996 0 C-N-CA 127.025 2.13 . . . . 0.0 111.942 -169.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 1.621 ' CA ' ' CB ' ' A' ' 87' ' ' ILE 0.294 40.5 mm -129.47 105.15 12.02 Favored 'Isoleucine or valine' 2 C--N 1.435 4.318 0 C-N-CA 125.57 1.548 . . . . 0.0 109.003 -176.091 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.307 0.0 OUTLIER -113.08 120.06 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.431 0 O-C-N 125.673 1.858 . . . . 0.0 114.092 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HB3' HG23 ' A' ' 11' ' ' THR 0.4 36.7 ptt180 -112.6 108.23 17.23 Favored 'General case' 1 N--CA 1.554 4.754 0 C-N-CA 126.3 1.84 . . . . 0.0 115.257 -177.163 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.42 141.82 32.75 Favored 'General case' 0 N--CA 1.53 3.546 0 C-N-CA 128.724 2.809 . . . . 0.0 113.895 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -119.31 112.6 19.65 Favored 'General case' 0 C--O 1.302 3.84 0 C-N-CA 126.624 1.97 . . . . 0.0 111.108 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.276 34.3 m -106.99 159.93 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.418 0 O-C-N 126.687 2.492 . . . . 0.0 115.319 -174.952 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.304 25.4 ptt? -124.02 117.82 25.6 Favored 'General case' 1 N--CA 1.566 5.368 0 C-N-CA 127.56 2.344 . . . . 0.0 114.495 -175.501 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 . . . . . 1 N--CA 1.54 4.052 0 C-N-CA 127.779 2.432 . . . . 0.0 110.234 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 2 CA--C 1.649 4.771 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 2 N--CA 1.552 4.643 0 C-N-CA 127.112 2.165 . . . . 0.0 108.819 -174.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.329 10.1 pt-20 . . . . . 1 N--CA 1.547 4.383 0 CA-C-O 120.69 0.281 . . . . 0.0 111.356 . . . . . . . . . 2 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -95.44 145.68 24.98 Favored 'General case' 1 N--CA 1.558 4.926 0 C-N-CA 126.538 1.935 . . . . 0.0 114.061 -171.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -128.06 132.81 49.03 Favored 'General case' 2 C--N 1.445 4.745 0 C-N-CA 124.699 1.2 . . . . 0.0 111.3 -177.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.285 11.6 pt-20 -106.91 113.26 26.63 Favored 'General case' 0 N--CA 1.536 3.864 0 C-N-CA 126.627 1.971 . . . . 0.0 112.474 175.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mt -113.23 143.49 22.81 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.927 0 C-N-CA 125.414 1.486 . . . . 0.0 110.475 -177.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.261 0.5 OUTLIER -111.57 122.22 47.23 Favored 'General case' 0 N--CA 1.538 3.931 0 C-N-CA 127.005 2.122 . . . . 0.0 113.243 170.11 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.525 3.311 0 C-N-CA 127.676 2.39 . . . . 0.0 112.62 175.3 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.525 4.576 0 N-CA-C 115.953 1.141 . . . . 0.0 115.953 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -156.16 166.19 34.17 Favored 'General case' 1 C--N 1.44 4.503 0 C-N-CA 128.759 2.824 . . . . 0.0 108.958 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.577 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.1 m -132.59 145.36 51.04 Favored 'General case' 1 C--N 1.441 4.567 0 C-N-CA 124.402 1.081 . . . . 0.0 111.462 169.024 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.479 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.583 2.0 pp -120.0 125.43 74.25 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.687 0 N-CA-C 120.121 3.378 . . . . 0.0 120.121 -175.153 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.67 119.37 39.24 Favored 'General case' 1 C--N 1.44 4.529 0 CA-C-N 113.348 -1.751 . . . . 0.0 112.848 -175.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.25 161.5 27.68 Favored Glycine 0 C--N 1.389 3.506 0 C-N-CA 125.496 1.522 . . . . 0.0 113.809 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.76 151.83 8.73 Favored Glycine 1 N--CA 1.523 4.498 0 N-CA-C 117.086 1.594 . . . . 0.0 117.086 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.266 12.2 p -98.41 -39.63 8.68 Favored 'General case' 1 N--CA 1.567 5.412 0 C-N-CA 126.161 1.784 . . . . 0.0 113.685 169.894 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.82 -36.85 8.93 Favored 'General case' 1 C--N 1.43 4.07 0 C-N-CA 126.19 1.796 . . . . 0.0 112.771 175.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 2 C--N 1.448 4.883 0 C-N-CA 127.184 2.194 . . . . 0.0 111.474 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.6 p . . . . . 1 N--CA 1.567 5.391 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.585 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.254 0.5 OUTLIER -99.66 129.23 50.54 Favored 'Isoleucine or valine' 3 C--N 1.446 4.762 0 C-N-CA 126.024 1.729 . . . . 0.0 109.916 -179.427 . . . . . . . . 5 4 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -132.66 156.83 46.25 Favored 'General case' 2 N--CA 1.549 4.508 0 C-N-CA 128.227 2.611 . . . . 0.0 111.457 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mm -84.23 144.61 9.53 Favored 'Isoleucine or valine' 2 C--N 1.463 5.514 0 C-N-CA 125.86 1.664 . . . . 0.0 109.491 169.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.274 2.6 p -146.01 -28.39 0.42 Allowed 'General case' 1 N--CA 1.558 4.93 0 C-N-CA 127.667 2.387 . . . . 0.0 113.273 -177.804 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.577 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.273 51.9 tptt -121.58 127.26 50.73 Favored 'General case' 1 C--N 1.463 5.519 0 C-N-CA 124.573 1.149 . . . . 0.0 113.1 177.853 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.624 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 42.9 mm -126.64 125.56 67.28 Favored 'Isoleucine or valine' 0 C--N 1.412 3.322 0 C-N-CA 127.442 2.297 . . . . 0.0 108.133 171.856 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.566 ' CA ' ' CB ' ' A' ' 44' ' ' ILE 0.29 2.9 mp -81.4 127.72 72.5 Favored Pre-proline 2 CA--C 1.681 5.999 0 C-N-CA 127.246 2.219 . . . . 0.0 110.424 172.461 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -62.86 -21.75 73.34 Favored 'Trans proline' 3 C--N 1.541 10.683 0 C-N-CA 124.347 3.364 . . . . 0.0 117.74 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.48 36.74 2.4 Favored Glycine 1 C--N 1.428 5.664 0 CA-C-O 117.941 -1.477 . . . . 0.0 116.221 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.79 -178.75 40.66 Favored Glycine 3 C--N 1.447 6.736 0 C-N-CA 124.971 1.272 . . . . 0.0 116.005 173.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.13 -37.57 28.64 Favored 'General case' 0 N--CA 1.535 3.795 0 C-N-CA 128.584 2.753 . . . . 0.0 115.616 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.65 -19.5 41.59 Favored 'General case' 2 N--CA 1.562 5.161 0 C-N-CA 126.816 2.047 . . . . 0.0 116.269 176.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.64 -42.13 12.2 Favored 'General case' 1 C--N 1.442 4.63 0 C-N-CA 127.46 2.304 . . . . 0.0 113.543 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.33 -55.48 3.58 Favored 'General case' 2 C--N 1.452 5.027 0 C-N-CA 126.849 2.06 . . . . 0.0 114.09 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.23 -24.16 19.97 Favored 'General case' 2 C--N 1.457 5.254 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -178.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.44 -43.15 5.31 Favored Glycine 2 C--N 1.439 6.289 0 N-CA-C 117.602 1.801 . . . . 0.0 117.602 -174.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.429 95.1 mtt180 90.27 10.96 0.06 Allowed 'General case' 2 N--CA 1.603 7.177 0 C-N-CA 130.384 3.474 . . . . 0.0 116.244 179.828 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.42 125.25 32.85 Favored 'General case' 1 C--N 1.436 4.368 0 C-N-CA 126.83 2.052 . . . . 0.0 113.905 179.311 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -111.66 161.32 16.37 Favored 'General case' 0 N--CA 1.533 3.677 0 C-N-CA 128.624 2.77 . . . . 0.0 111.175 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.563 HG13 HG12 ' A' ' 43' ' ' ILE 0.29 4.2 m -51.41 -30.62 10.88 Favored 'Isoleucine or valine' 2 N--CA 1.626 8.366 0 C-N-CA 128.116 2.567 . . . . 0.0 116.438 176.196 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.276 3.2 p-10 -90.09 7.79 36.02 Favored 'General case' 1 CA--C 1.652 4.896 0 C-N-CA 128.679 2.792 . . . . 0.0 113.637 -177.931 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.36 -37.4 14.04 Favored 'General case' 2 C--N 1.49 6.693 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 178.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.263 23.2 t 46.76 120.98 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.413 0 C-N-CA 129.517 3.127 . . . . 0.0 116.043 177.247 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 mt -86.47 125.37 40.75 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.936 0 C-N-CA 124.761 1.224 . . . . 0.0 109.628 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.253 1.4 pt? -93.54 -45.27 7.82 Favored 'General case' 0 C--N 1.424 3.815 0 O-C-N 125.395 1.684 . . . . 0.0 112.151 169.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -130.6 130.1 43.59 Favored 'General case' 1 C--N 1.447 4.838 0 O-C-N 125.126 1.517 . . . . 0.0 113.403 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.457 HG11 HD22 ' A' ' 81' ' ' LEU 0.338 0.1 OUTLIER -120.92 132.51 70.22 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.681 0 O-C-N 123.435 0.459 . . . . 0.0 109.852 176.697 . . . . . . . . 5 4 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 72.58 1.48 4.0 Favored 'General case' 3 N--CA 1.612 7.635 0 C-N-CA 129.961 3.304 . . . . 0.0 112.23 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.388 47.4 mt-10 89.17 5.51 0.15 Allowed 'General case' 3 N--CA 1.585 6.302 0 C-N-CA 131.013 3.725 . . . . 0.0 112.076 -160.635 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 64' ' ' VAL 0.386 3.3 m -85.75 153.24 3.5 Favored 'Isoleucine or valine' 1 C--N 1.471 5.871 0 C-N-CA 127.565 2.346 . . . . 0.0 113.15 -179.721 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.444 4.4 p-10 -86.98 93.1 9.25 Favored 'General case' 0 C--N 1.399 2.722 0 O-C-N 126.237 2.211 . . . . 0.0 114.337 -174.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.345 1.0 OUTLIER -92.29 -7.45 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.626 3.888 0 C-N-CA 127.81 2.444 . . . . 0.0 113.383 179.092 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -62.79 -13.5 34.01 Favored 'General case' 2 CA--C 1.673 5.707 0 C-N-CA 128.277 2.631 . . . . 0.0 113.835 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -158.96 78.31 0.76 Allowed 'General case' 2 C--N 1.457 5.272 0 C-N-CA 127.597 2.359 . . . . 0.0 108.045 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.255 35.1 m -145.54 163.33 11.69 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.571 0 C-N-CA 127.69 2.396 . . . . 0.0 110.745 178.999 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.47 163.46 26.32 Favored 'General case' 1 N--CA 1.56 5.06 0 C-N-CA 126.475 1.91 . . . . 0.0 112.065 165.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -47.25 -58.16 4.4 Favored 'General case' 4 N--CA 1.578 5.949 0 C-N-CA 129.214 3.006 . . . . 0.0 112.792 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.4 t -63.49 -30.55 71.65 Favored 'General case' 2 C--N 1.455 5.16 0 C-N-CA 126.571 1.948 . . . . 0.0 112.712 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.74 -22.37 58.84 Favored 'General case' 1 C--N 1.458 5.309 0 C-N-CA 128.371 2.668 . . . . 0.0 114.012 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.1 -29.06 18.58 Favored 'General case' 1 C--N 1.469 5.788 0 C-N-CA 125.719 1.608 . . . . 0.0 112.788 172.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.8 t -72.41 -38.84 61.82 Favored 'Isoleucine or valine' 3 N--CA 1.605 7.325 0 C-N-CA 127.152 2.181 . . . . 0.0 110.213 170.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -57.3 -24.57 55.8 Favored 'General case' 2 N--CA 1.561 5.106 0 C-N-CA 129.275 3.03 . . . . 0.0 115.67 176.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.95 -27.59 57.6 Favored 'General case' 1 C--N 1.432 4.178 0 C-N-CA 127.377 2.271 . . . . 0.0 111.584 176.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD22 HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -92.95 -35.24 13.41 Favored 'General case' 1 C--N 1.442 4.605 0 C-N-CA 129.584 3.154 . . . . 0.0 112.92 -178.787 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -84.38 -28.71 26.78 Favored 'General case' 1 C--N 1.431 4.134 0 C-N-CA 127.441 2.297 . . . . 0.0 114.148 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.376 9.4 pt-20 -69.06 -43.68 74.12 Favored 'General case' 2 N--CA 1.582 6.14 0 N-CA-C 118.215 2.672 . . . . 0.0 118.215 176.487 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -17.56 64.14 Favored 'General case' 2 C--N 1.451 5.019 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 -174.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.32 -34.94 1.76 Allowed Glycine 1 C--N 1.421 5.271 0 N-CA-C 122.523 3.769 . . . . 0.0 122.523 168.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 t -151.84 -36.84 0.12 Allowed 'General case' 0 N--CA 1.531 3.621 0 C-N-CA 127.308 2.243 . . . . 0.0 111.289 -169.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.28 43.0 mm -129.35 122.46 55.82 Favored 'Isoleucine or valine' 2 C--N 1.441 4.544 0 C-N-CA 125.214 1.406 . . . . 0.0 109.548 -179.328 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.425 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.399 18.8 m -118.59 121.27 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.97 0 C-N-CA 126.953 2.101 . . . . 0.0 113.038 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.39 13.7 ptm180 -109.17 99.35 8.65 Favored 'General case' 1 N--CA 1.546 4.353 0 C-N-CA 126.054 1.742 . . . . 0.0 113.94 -179.355 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -99.05 139.9 34.01 Favored 'General case' 0 N--CA 1.527 3.399 0 C-N-CA 127.901 2.48 . . . . 0.0 113.742 -176.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -119.01 112.55 19.71 Favored 'General case' 1 C--O 1.312 4.364 0 C-N-CA 126.536 1.934 . . . . 0.0 111.207 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.5 m -106.18 159.1 6.26 Favored 'Isoleucine or valine' 2 N--CA 1.556 4.871 0 O-C-N 127.165 2.791 . . . . 0.0 115.207 -176.444 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 25.5 ptt? -119.79 110.87 17.28 Favored 'General case' 1 N--CA 1.556 4.857 0 C-N-CA 127.792 2.437 . . . . 0.0 113.709 -176.759 . . . . . . . . 3 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 . . . . . 0 CA--C 1.623 3.763 0 C-N-CA 127.382 2.273 . . . . 0.0 109.057 -178.649 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.479 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 62.5 m . . . . . 2 N--CA 1.561 5.12 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 2 C--N 1.452 5.027 0 C-N-CA 126.792 2.037 . . . . 0.0 107.069 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.387 10.5 pt-20 . . . . . 1 N--CA 1.559 4.98 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 . . . . . . . . . 2 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.86 140.88 31.58 Favored 'General case' 1 N--CA 1.552 4.659 0 C-N-CA 125.839 1.656 . . . . 0.0 113.446 -174.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -125.28 129.49 50.12 Favored 'General case' 1 C--N 1.434 4.261 0 O-C-N 124.694 1.246 . . . . 0.0 111.028 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.292 10.9 pt-20 -107.06 111.77 24.39 Favored 'General case' 0 N--CA 1.531 3.577 0 C-N-CA 126.846 2.058 . . . . 0.0 113.202 178.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mt -114.81 135.96 53.0 Favored 'Isoleucine or valine' 2 N--CA 1.552 4.644 0 C-N-CA 125.34 1.456 . . . . 0.0 109.77 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -117.46 121.19 40.36 Favored 'General case' 0 CA--C 1.619 3.616 0 C-N-CA 127.252 2.221 . . . . 0.0 108.264 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.2 mt . . . . . 0 N--CA 1.531 3.618 0 C-N-CA 127.922 2.489 . . . . 0.0 112.416 179.852 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.423 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.501 3.014 0 CA-C-O 119.327 -0.707 . . . . 0.0 114.1 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -156.84 168.46 27.38 Favored 'General case' 2 C--N 1.442 4.613 0 C-N-CA 129.071 2.948 . . . . 0.0 108.832 177.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.444 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 67.8 m -135.55 145.42 46.98 Favored 'General case' 1 C--N 1.446 4.788 0 C-N-CA 124.946 1.298 . . . . 0.0 110.586 169.229 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.406 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.515 2.3 pp -121.78 126.94 75.29 Favored 'Isoleucine or valine' 2 N--CA 1.572 5.663 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -174.72 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.23 117.05 33.12 Favored 'General case' 1 C--N 1.437 4.378 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.608 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.15 156.44 28.35 Favored Glycine 1 N--CA 1.516 4.022 0 C-N-CA 126.165 1.84 . . . . 0.0 113.068 -174.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.39 150.39 7.9 Favored Glycine 1 C--N 1.401 4.181 0 N-CA-C 118.277 2.071 . . . . 0.0 118.277 -170.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 p -102.57 -41.95 6.09 Favored 'General case' 1 N--CA 1.557 4.903 0 C-N-CA 126.412 1.885 . . . . 0.0 113.087 165.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -102.57 -31.98 10.14 Favored 'General case' 1 C--N 1.433 4.197 0 C-N-CA 126.506 1.922 . . . . 0.0 113.28 177.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 2 CA--C 1.653 4.927 0 C-N-CA 126.94 2.096 . . . . 0.0 112.45 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.5 p . . . . . 1 N--CA 1.558 4.939 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.288 0.8 OUTLIER -94.54 113.2 28.58 Favored 'Isoleucine or valine' 3 C--N 1.449 4.924 0 C-N-CA 125.67 1.588 . . . . 0.0 109.081 -178.9 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -119.42 146.84 45.02 Favored 'General case' 0 N--CA 1.538 3.968 0 C-N-CA 129.426 3.09 . . . . 0.0 112.151 -168.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.76 139.88 16.66 Favored 'Isoleucine or valine' 2 C--N 1.45 4.949 0 C-N-CA 125.657 1.583 . . . . 0.0 109.966 175.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -141.3 -35.88 0.46 Allowed 'General case' 0 CA--C 1.619 3.629 0 C-N-CA 127.5 2.32 . . . . 0.0 109.89 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 7.7 tmtm? -125.95 128.69 47.9 Favored 'General case' 1 C--N 1.467 5.678 0 O-C-N 123.977 0.798 . . . . 0.0 111.468 -177.404 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.638 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.276 46.9 mm -124.7 128.5 73.43 Favored 'Isoleucine or valine' 0 C--N 1.415 3.415 0 C-N-CA 126.921 2.089 . . . . 0.0 108.731 174.286 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.293 3.1 mp -83.54 131.58 52.09 Favored Pre-proline 2 CA--C 1.68 5.946 0 C-N-CA 126.547 1.939 . . . . 0.0 110.768 173.317 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.64 -21.59 65.22 Favored 'Trans proline' 3 C--N 1.539 10.592 0 C-N-CA 124.24 3.293 . . . . 0.0 117.654 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.0 40.06 1.7 Allowed Glycine 1 C--N 1.428 5.668 0 CA-C-O 118.112 -1.382 . . . . 0.0 115.899 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.423 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -93.6 -177.54 39.85 Favored Glycine 2 C--N 1.442 6.45 0 C-N-CA 125.382 1.468 . . . . 0.0 116.28 174.57 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.63 -38.28 29.52 Favored 'General case' 0 N--CA 1.538 3.941 0 C-N-CA 128.946 2.898 . . . . 0.0 115.271 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.51 -25.48 35.91 Favored 'General case' 2 C--N 1.448 4.876 0 C-N-CA 126.944 2.098 . . . . 0.0 115.934 176.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.32 -42.52 17.02 Favored 'General case' 1 C--N 1.446 4.785 0 C-N-CA 127.208 2.203 . . . . 0.0 113.638 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -90.82 -55.29 3.62 Favored 'General case' 1 C--N 1.451 4.988 0 C-N-CA 127.277 2.231 . . . . 0.0 115.131 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.87 -34.35 15.29 Favored 'General case' 1 C--N 1.46 5.407 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -173.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.42 -48.03 4.42 Favored Glycine 2 C--N 1.441 6.381 0 N-CA-C 117.287 1.675 . . . . 0.0 117.287 -174.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.59 97.3 mtt180 87.25 57.71 0.01 OUTLIER 'General case' 2 N--CA 1.572 5.674 0 C-N-CA 130.582 3.553 . . . . 0.0 116.728 -178.943 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp -110.79 132.09 54.49 Favored 'General case' 0 C--N 1.415 3.443 0 C-N-CA 128.075 2.55 . . . . 0.0 111.46 171.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.28 153.99 25.12 Favored 'General case' 0 N--CA 1.526 3.374 0 C-N-CA 127.686 2.394 . . . . 0.0 110.214 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.12 -26.53 25.36 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.142 0 C-N-CA 128.593 2.757 . . . . 0.0 115.952 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -91.94 9.56 32.51 Favored 'General case' 1 CA--C 1.673 5.683 0 C-N-CA 129.11 2.964 . . . . 0.0 112.316 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.14 -35.34 18.69 Favored 'General case' 2 C--N 1.489 6.648 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m 47.36 125.01 0.0 OUTLIER 'General case' 2 N--CA 1.591 6.6 0 C-N-CA 129.236 3.014 . . . . 0.0 116.231 178.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -89.57 126.1 42.52 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.94 0 C-N-CA 124.216 1.006 . . . . 0.0 110.197 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.264 1.5 pt? -91.17 -43.94 9.55 Favored 'General case' 1 C--N 1.436 4.353 0 C-N-CA 124.946 1.298 . . . . 0.0 112.347 169.848 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -131.19 132.01 44.41 Favored 'General case' 2 C--N 1.447 4.838 0 O-C-N 125.161 1.538 . . . . 0.0 113.918 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.291 21.6 t -113.73 136.83 48.93 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.108 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.64 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.311 38.4 m-80 74.59 -80.88 0.03 OUTLIER 'General case' 2 N--CA 1.591 6.607 0 C-N-CA 128.737 2.815 . . . . 0.0 111.506 -177.846 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -157.75 8.78 0.16 Allowed 'General case' 1 CA--C 1.639 4.387 1 C-N-CA 134.632 5.173 . . . . 0.0 106.747 170.426 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.371 25.2 m -102.52 156.04 4.97 Favored 'Isoleucine or valine' 1 C--N 1.465 5.588 0 C-N-CA 127.713 2.405 . . . . 0.0 115.339 -167.361 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -85.77 103.33 14.44 Favored 'General case' 0 C--N 1.412 3.292 0 C-N-CA 127.86 2.464 . . . . 0.0 111.469 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.452 29.5 m -97.15 -12.7 8.3 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.046 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 174.561 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.284 16.2 ptm180 -44.3 -27.65 0.45 Allowed 'General case' 2 N--CA 1.585 6.279 0 C-N-CA 129.105 2.962 . . . . 0.0 117.841 179.44 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -149.27 76.41 1.32 Allowed 'General case' 1 C--N 1.439 4.493 0 C-N-CA 129.867 3.267 . . . . 0.0 108.865 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.288 19.4 m -141.06 159.94 23.1 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.473 0 C-N-CA 126.758 2.023 . . . . 0.0 110.596 177.598 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 p -76.84 161.7 28.23 Favored 'General case' 1 N--CA 1.56 5.068 0 C-N-CA 126.4 1.88 . . . . 0.0 112.205 166.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -46.87 -56.61 6.03 Favored 'General case' 3 N--CA 1.576 5.846 0 C-N-CA 129.009 2.924 . . . . 0.0 112.785 174.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m -61.79 -34.18 75.43 Favored 'General case' 2 C--N 1.456 5.206 0 C-N-CA 126.536 1.934 . . . . 0.0 113.503 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.06 -22.34 63.07 Favored 'General case' 1 C--N 1.457 5.243 0 C-N-CA 128.46 2.704 . . . . 0.0 114.236 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -35.78 14.91 Favored 'General case' 1 C--N 1.463 5.54 0 C-N-CA 126.544 1.937 . . . . 0.0 112.728 174.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.37 -40.41 56.45 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.57 0 C-N-CA 127.231 2.213 . . . . 0.0 111.709 177.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.6 mt-10 -63.19 -20.1 65.11 Favored 'General case' 1 N--CA 1.598 6.958 0 C-N-CA 128.271 2.628 . . . . 0.0 115.381 177.329 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.62 -28.81 56.24 Favored 'General case' 1 CA--C 1.636 4.253 0 C-N-CA 126.279 1.831 . . . . 0.0 112.067 167.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.4 mt -92.97 -32.99 14.33 Favored 'General case' 2 C--N 1.46 5.381 0 C-N-CA 126.812 2.045 . . . . 0.0 116.247 178.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -86.38 -38.49 17.36 Favored 'General case' 1 N--CA 1.546 4.328 0 C-N-CA 127.044 2.138 . . . . 0.0 114.351 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.255 39.1 mt-10 -90.42 -15.59 30.64 Favored 'General case' 2 N--CA 1.583 6.196 0 N-CA-C 119.737 3.236 . . . . 0.0 119.737 -175.871 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.74 -22.45 46.72 Favored 'General case' 3 N--CA 1.596 6.829 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.03 -34.71 5.27 Favored Glycine 1 C--N 1.43 5.751 0 N-CA-C 119.046 2.378 . . . . 0.0 119.046 166.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.2 p -174.79 -34.56 0.01 OUTLIER 'General case' 1 N--CA 1.562 5.147 0 C-N-CA 128.753 2.821 . . . . 0.0 112.933 -173.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.261 46.0 mm -118.57 121.4 66.93 Favored 'Isoleucine or valine' 0 C--N 1.423 3.762 0 C-N-CA 126.337 1.855 . . . . 0.0 109.019 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.341 17.9 m -127.49 121.12 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.577 0 C-N-CA 127.467 2.307 . . . . 0.0 112.768 179.325 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -108.42 137.15 46.86 Favored 'General case' 0 N--CA 1.538 3.932 0 C-N-CA 126.104 1.762 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 pp -125.05 137.42 54.21 Favored 'General case' 0 N--CA 1.522 3.165 0 C-N-CA 127.855 2.462 . . . . 0.0 112.845 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -117.81 111.6 19.28 Favored 'General case' 0 C--O 1.298 3.634 0 C-N-CA 126.492 1.917 . . . . 0.0 110.606 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 33.3 m -106.71 159.44 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.383 0 O-C-N 126.617 2.448 . . . . 0.0 115.298 -174.748 . . . . . . . . 3 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.364 0.0 OUTLIER -124.28 109.14 13.0 Favored 'General case' 2 N--CA 1.557 4.882 0 C-N-CA 126.255 1.822 . . . . 0.0 113.429 -178.022 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.328 17.1 ptm180 . . . . . 1 N--CA 1.559 4.982 0 C-N-CA 126.06 1.744 . . . . 0.0 113.452 179.903 . . . . . . . . 2 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.406 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 66.8 m . . . . . 2 N--CA 1.547 4.378 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 2 C--N 1.449 4.913 0 C-N-CA 127.221 2.209 . . . . 0.0 107.323 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.379 11.0 pt-20 . . . . . 1 N--CA 1.548 4.445 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 . . . . . . . . . 2 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -103.24 143.66 32.35 Favored 'General case' 1 N--CA 1.546 4.337 0 C-N-CA 126.547 1.939 . . . . 0.0 112.921 -177.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -127.59 129.3 47.05 Favored 'General case' 1 C--N 1.433 4.237 0 C-N-CA 124.689 1.196 . . . . 0.0 110.964 -177.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.293 11.6 pt-20 -104.42 111.64 24.37 Favored 'General case' 0 N--CA 1.535 3.807 0 C-N-CA 126.248 1.819 . . . . 0.0 112.4 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mt -115.39 139.8 40.02 Favored 'Isoleucine or valine' 2 N--CA 1.546 4.358 0 C-N-CA 124.977 1.311 . . . . 0.0 109.076 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -119.11 124.64 47.37 Favored 'General case' 1 N--CA 1.542 4.167 0 C-N-CA 126.397 1.879 . . . . 0.0 108.714 176.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.52 3.049 0 C-N-CA 127.524 2.329 . . . . 0.0 112.748 179.494 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.519 4.227 0 N-CA-C 117.065 1.586 . . . . 0.0 117.065 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -156.5 171.96 19.37 Favored 'General case' 1 C--N 1.444 4.682 0 C-N-CA 127.654 2.382 . . . . 0.0 109.578 175.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 75.3 m -137.63 145.67 43.0 Favored 'General case' 1 C--N 1.441 4.557 0 C-N-CA 125.475 1.51 . . . . 0.0 110.757 168.377 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.528 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.58 2.2 pp -118.52 128.42 75.46 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.12 0 N-CA-C 119.301 3.075 . . . . 0.0 119.301 -175.236 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.24 117.68 34.81 Favored 'General case' 1 C--N 1.441 4.557 0 CA-C-N 112.904 -1.953 . . . . 0.0 110.673 -177.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.72 160.88 31.87 Favored Glycine 1 N--CA 1.518 4.122 0 C-N-CA 125.539 1.543 . . . . 0.0 113.644 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.29 135.07 2.07 Favored Glycine 1 C--N 1.411 4.743 0 N-CA-C 119.645 2.618 . . . . 0.0 119.645 -174.115 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.279 11.8 p -104.15 -36.06 7.82 Favored 'General case' 1 N--CA 1.553 4.718 0 C-N-CA 125.76 1.624 . . . . 0.0 112.883 162.21 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -107.48 -35.75 6.67 Favored 'General case' 1 C--N 1.436 4.362 0 C-N-CA 125.453 1.501 . . . . 0.0 113.164 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 . . . . . 2 C--N 1.443 4.655 0 C-N-CA 127.055 2.142 . . . . 0.0 113.79 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p . . . . . 1 N--CA 1.553 4.689 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.291 0.5 OUTLIER -93.66 118.98 40.75 Favored 'Isoleucine or valine' 2 C--N 1.451 5.017 0 C-N-CA 125.551 1.54 . . . . 0.0 109.697 -177.957 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -129.19 150.15 50.69 Favored 'General case' 0 N--CA 1.529 3.503 0 C-N-CA 129.283 3.033 . . . . 0.0 111.463 -170.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -87.36 144.21 9.73 Favored 'Isoleucine or valine' 2 N--CA 1.551 4.604 0 C-N-CA 126.168 1.787 . . . . 0.0 110.101 175.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.372 10.5 p -147.77 -26.14 0.36 Allowed 'General case' 1 N--CA 1.556 4.844 0 C-N-CA 127.453 2.301 . . . . 0.0 114.207 178.857 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.7 tmtt? -121.68 124.16 43.61 Favored 'General case' 1 C--N 1.476 6.082 0 CA-C-N 118.514 0.597 . . . . 0.0 111.371 178.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.638 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.275 42.5 mm -123.38 129.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.412 3.296 0 C-N-CA 127.101 2.16 . . . . 0.0 108.238 173.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.286 3.2 mp -85.67 129.7 53.79 Favored Pre-proline 1 CA--C 1.682 6.039 0 C-N-CA 126.239 1.816 . . . . 0.0 109.892 173.102 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.88 -20.69 72.01 Favored 'Trans proline' 3 C--N 1.537 10.477 0 C-N-CA 124.449 3.433 . . . . 0.0 118.002 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.6 37.67 2.2 Favored Glycine 1 C--N 1.43 5.77 0 CA-C-O 117.889 -1.506 . . . . 0.0 116.581 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.13 -179.01 40.11 Favored Glycine 3 C--N 1.443 6.519 0 C-N-CA 124.923 1.249 . . . . 0.0 116.01 172.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.11 -37.41 28.96 Favored 'General case' 0 N--CA 1.538 3.959 0 C-N-CA 128.732 2.813 . . . . 0.0 115.533 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.4 -23.03 37.86 Favored 'General case' 2 C--N 1.445 4.729 0 C-N-CA 127.368 2.267 . . . . 0.0 115.659 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.79 -42.45 14.18 Favored 'General case' 1 C--N 1.446 4.801 0 C-N-CA 127.359 2.264 . . . . 0.0 113.586 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -90.81 -55.51 3.54 Favored 'General case' 1 C--N 1.449 4.913 0 C-N-CA 127.136 2.174 . . . . 0.0 114.805 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.91 -32.24 16.08 Favored 'General case' 1 C--N 1.459 5.336 0 N-CA-C 117.363 2.357 . . . . 0.0 117.363 -174.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.46 -48.84 4.12 Favored Glycine 2 C--N 1.443 6.478 0 N-CA-C 117.642 1.817 . . . . 0.0 117.642 -174.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.538 79.0 mtp180 88.05 55.92 0.01 OUTLIER 'General case' 2 N--CA 1.579 5.997 0 C-N-CA 130.52 3.528 . . . . 0.0 116.043 -178.546 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tp -110.78 132.8 53.89 Favored 'General case' 0 C--N 1.421 3.675 0 C-N-CA 127.978 2.511 . . . . 0.0 111.643 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . 0.267 40.8 ptt180 -112.21 164.62 12.99 Favored 'General case' 0 CA--C 1.613 3.391 0 C-N-CA 127.487 2.315 . . . . 0.0 112.49 172.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG13 HG12 ' A' ' 43' ' ' ILE 0.276 3.2 m -57.02 -30.5 34.19 Favored 'Isoleucine or valine' 1 N--CA 1.62 8.034 0 C-N-CA 127.208 2.203 . . . . 0.0 114.771 168.098 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -90.85 -0.91 57.85 Favored 'General case' 1 CA--C 1.664 5.338 0 C-N-CA 129.231 3.012 . . . . 0.0 111.669 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.279 1.5 m-20 -77.14 -39.12 50.4 Favored 'General case' 2 C--N 1.51 7.572 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 175.277 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t 45.63 117.44 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.752 0 C-N-CA 129.362 3.065 . . . . 0.0 115.486 177.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.459 HG21 HG23 ' A' ' 64' ' ' VAL . 4.2 mt -85.57 128.29 39.31 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.175 0 C-N-CA 124.735 1.214 . . . . 0.0 110.488 -175.476 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.262 1.3 pt? -94.33 -43.03 8.6 Favored 'General case' 0 C--N 1.425 3.854 0 O-C-N 125.091 1.494 . . . . 0.0 112.913 169.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.44 120.37 22.92 Favored 'General case' 1 C--N 1.447 4.823 0 O-C-N 124.925 1.391 . . . . 0.0 112.97 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.537 ' O ' HG22 ' A' ' 67' ' ' VAL 0.369 7.5 p -120.58 129.0 76.08 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.384 0 O-C-N 123.724 0.64 . . . . 0.0 112.615 -176.21 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 t30 74.55 3.91 4.34 Favored 'General case' 3 N--CA 1.627 8.392 0 C-N-CA 128.903 2.881 . . . . 0.0 110.981 -170.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.325 21.2 tt0 82.13 19.67 0.32 Allowed 'General case' 3 CA--C 1.674 5.713 1 C-N-CA 131.891 4.076 . . . . 0.0 109.954 -162.57 . . . . . . . . 4 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 64' ' ' VAL 0.357 5.4 m -94.92 154.05 3.42 Favored 'Isoleucine or valine' 1 C--N 1.477 6.132 0 C-N-CA 126.266 1.827 . . . . 0.0 112.921 -178.523 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.435 4.4 p-10 -83.13 93.09 7.56 Favored 'General case' 0 C--N 1.406 3.061 0 O-C-N 126.152 2.157 . . . . 0.0 114.54 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.468 27.7 m -94.85 -3.49 10.61 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.065 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 178.468 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -47.85 -27.66 2.2 Favored 'General case' 2 N--CA 1.595 6.807 0 C-N-CA 128.47 2.708 . . . . 0.0 116.341 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -150.87 81.7 1.33 Allowed 'General case' 1 C--N 1.452 5.05 0 C-N-CA 130.149 3.38 . . . . 0.0 109.305 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.578 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.271 22.1 m -141.94 169.03 14.22 Favored 'Isoleucine or valine' 1 N--CA 1.57 5.533 0 C-N-CA 126.316 1.846 . . . . 0.0 109.588 175.337 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 p -81.69 164.53 21.72 Favored 'General case' 1 N--CA 1.564 5.228 0 C-N-CA 127.957 2.503 . . . . 0.0 110.115 167.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.267 56.6 p-80 -53.02 -50.33 64.46 Favored 'General case' 3 N--CA 1.601 7.083 0 C-N-CA 125.102 1.361 . . . . 0.0 113.325 177.763 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.9 t -60.3 -31.3 70.14 Favored 'General case' 1 C--N 1.444 4.685 0 C-N-CA 127.639 2.375 . . . . 0.0 113.31 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.92 -20.05 50.29 Favored 'General case' 1 C--N 1.479 6.204 0 C-N-CA 126.885 2.074 . . . . 0.0 112.898 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.41 -33.41 19.1 Favored 'General case' 1 C--N 1.466 5.672 0 C-N-CA 126.71 2.004 . . . . 0.0 112.508 170.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.12 -39.28 73.82 Favored 'Isoleucine or valine' 3 N--CA 1.599 7.018 0 C-N-CA 127.725 2.41 . . . . 0.0 111.483 175.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.13 -13.77 50.35 Favored 'General case' 1 N--CA 1.592 6.67 0 C-N-CA 129.957 3.303 . . . . 0.0 115.347 175.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.99 -29.38 25.08 Favored 'General case' 0 CA--C 1.627 3.914 0 C-N-CA 126.79 2.036 . . . . 0.0 112.336 165.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.481 ' HA ' HG11 ' A' ' 88' ' ' VAL . 2.1 mt -92.37 -32.8 14.83 Favored 'General case' 2 C--N 1.462 5.48 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -90.35 -35.91 14.95 Favored 'General case' 1 N--CA 1.547 4.383 0 C-N-CA 126.958 2.103 . . . . 0.0 113.998 -174.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -78.88 -26.06 43.89 Favored 'General case' 2 CA--C 1.636 4.262 0 C-N-CA 128.414 2.685 . . . . 0.0 116.73 -178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.07 -23.21 64.93 Favored 'General case' 2 C--N 1.464 5.546 0 CA-C-N 119.491 1.041 . . . . 0.0 113.747 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.23 -34.69 3.03 Favored Glycine 1 C--N 1.426 5.551 0 N-CA-C 121.747 3.459 . . . . 0.0 121.747 168.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.6 t -153.93 -34.39 0.11 Allowed 'General case' 0 N--CA 1.532 3.642 0 C-N-CA 127.044 2.138 . . . . 0.0 111.996 -169.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.295 39.1 mm -128.99 110.0 19.94 Favored 'Isoleucine or valine' 2 C--N 1.442 4.608 0 C-N-CA 125.008 1.323 . . . . 0.0 109.555 -175.302 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.274 0.0 OUTLIER -119.98 126.21 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.47 0 O-C-N 125.747 1.904 . . . . 0.0 113.569 -179.402 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.368 38.2 ptt180 -113.88 106.37 14.37 Favored 'General case' 1 N--CA 1.561 5.105 0 C-N-CA 126.143 1.777 . . . . 0.0 114.91 -176.587 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.8 140.54 34.94 Favored 'General case' 0 N--CA 1.533 3.687 0 C-N-CA 127.103 2.161 . . . . 0.0 114.389 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.87 111.16 17.19 Favored 'General case' 0 C--O 1.298 3.651 0 C-N-CA 126.587 1.955 . . . . 0.0 111.049 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 33.5 m -106.51 161.23 5.77 Favored 'Isoleucine or valine' 2 N--CA 1.57 5.535 0 O-C-N 126.659 2.474 . . . . 0.0 115.577 -175.038 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.277 19.0 ptp -120.78 122.06 39.53 Favored 'General case' 1 N--CA 1.57 5.556 0 C-N-CA 127.525 2.33 . . . . 0.0 114.087 -176.095 . . . . . . . . 3 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 N--CA 1.538 3.945 0 C-N-CA 127.659 2.384 . . . . 0.0 110.651 177.411 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.528 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 69.7 m . . . . . 1 CA--C 1.635 4.243 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.284 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 C--N 1.445 4.725 0 C-N-CA 126.76 2.024 . . . . 0.0 108.5 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.372 10.8 pt-20 . . . . . 1 N--CA 1.546 4.37 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 . . . . . . . . . 2 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -104.03 141.24 36.54 Favored 'General case' 1 N--CA 1.542 4.146 0 C-N-CA 126.186 1.794 . . . . 0.0 112.833 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -126.79 127.35 44.89 Favored 'General case' 1 C--N 1.428 4.021 0 O-C-N 124.617 1.198 . . . . 0.0 111.353 -176.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.304 11.4 pt-20 -103.62 109.94 21.81 Favored 'General case' 0 C--N 1.42 3.654 0 C-N-CA 126.33 1.852 . . . . 0.0 112.514 174.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 mt -112.36 138.66 40.56 Favored 'Isoleucine or valine' 2 N--CA 1.551 4.602 0 C-N-CA 125.116 1.366 . . . . 0.0 109.424 -178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -119.53 123.68 44.57 Favored 'General case' 1 N--CA 1.54 4.041 0 C-N-CA 126.433 1.893 . . . . 0.0 108.811 176.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.523 3.21 0 C-N-CA 128.123 2.569 . . . . 0.0 113.783 -179.782 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.789 0 CA-C-O 119.054 -0.859 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -58.96 167.01 1.76 Allowed 'General case' 1 N--CA 1.566 5.328 0 C-N-CA 131.7 4.0 . . . . 0.0 112.8 -165.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.579 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.3 m -129.94 136.28 49.29 Favored 'General case' 1 C--N 1.435 4.322 0 CA-C-N 119.312 0.96 . . . . 0.0 112.547 175.002 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.641 2.3 pp -116.59 124.72 73.04 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.084 0 N-CA-C 119.648 3.203 . . . . 0.0 119.648 -176.927 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.65 118.4 36.7 Favored 'General case' 1 C--N 1.435 4.325 0 CA-C-N 112.993 -1.912 . . . . 0.0 111.795 -177.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.85 163.1 28.6 Favored Glycine 0 C--O 1.29 3.648 0 CA-C-N 113.677 -1.601 . . . . 0.0 114.186 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.44 123.93 0.82 Allowed Glycine 1 C--N 1.412 4.762 0 N-CA-C 119.848 2.699 . . . . 0.0 119.848 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 11.8 p -99.9 -31.13 11.64 Favored 'General case' 1 N--CA 1.553 4.701 0 C-N-CA 125.579 1.551 . . . . 0.0 112.241 159.431 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -112.75 -36.08 5.28 Favored 'General case' 1 C--N 1.439 4.485 0 C-N-CA 125.405 1.482 . . . . 0.0 113.338 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 . . . . . 2 C--N 1.445 4.743 0 C-N-CA 126.785 2.034 . . . . 0.0 114.775 -175.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 1 N--CA 1.551 4.579 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.302 0.7 OUTLIER -92.85 116.07 33.12 Favored 'Isoleucine or valine' 3 C--N 1.451 4.985 0 C-N-CA 125.498 1.519 . . . . 0.0 109.799 -178.474 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -122.38 147.94 45.67 Favored 'General case' 0 N--CA 1.538 3.955 0 C-N-CA 129.742 3.217 . . . . 0.0 111.846 -169.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.49 142.52 12.8 Favored 'Isoleucine or valine' 2 C--N 1.45 4.951 0 C-N-CA 125.517 1.527 . . . . 0.0 109.819 174.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 17.8 p -144.32 -27.15 0.51 Allowed 'General case' 1 N--CA 1.557 4.893 0 C-N-CA 127.182 2.193 . . . . 0.0 113.206 -178.867 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.579 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.292 48.4 tptt -122.68 123.7 41.72 Favored 'General case' 1 C--N 1.468 5.749 0 C-N-CA 123.968 0.907 . . . . 0.0 113.155 178.752 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.256 49.7 mm -128.66 129.56 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.669 0 C-N-CA 127.222 2.209 . . . . 0.0 108.154 172.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.533 ' CA ' ' CB ' ' A' ' 44' ' ' ILE 0.264 1.4 mp -84.96 131.99 47.19 Favored Pre-proline 2 CA--C 1.682 6.044 0 C-N-CA 128.752 2.821 . . . . 0.0 110.349 172.127 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.29 -19.46 62.06 Favored 'Trans proline' 3 C--N 1.541 10.672 0 C-N-CA 123.962 3.108 . . . . 0.0 117.32 176.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.84 36.51 2.33 Favored Glycine 1 C--N 1.431 5.81 0 CA-C-O 117.83 -1.539 . . . . 0.0 116.396 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.51 -178.56 42.57 Favored Glycine 3 C--N 1.447 6.729 0 C-N-CA 124.94 1.257 . . . . 0.0 115.813 173.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.0 -38.48 27.44 Favored 'General case' 1 N--CA 1.542 4.151 0 C-N-CA 128.292 2.637 . . . . 0.0 115.478 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.33 -21.96 38.84 Favored 'General case' 2 C--N 1.446 4.802 0 C-N-CA 126.554 1.941 . . . . 0.0 115.879 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.46 -43.24 12.94 Favored 'General case' 1 C--N 1.445 4.728 0 C-N-CA 127.313 2.245 . . . . 0.0 113.65 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -90.69 -54.6 3.91 Favored 'General case' 2 C--N 1.45 4.946 0 C-N-CA 127.169 2.188 . . . . 0.0 114.852 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.65 -31.24 16.71 Favored 'General case' 1 C--N 1.458 5.313 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -174.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.56 -52.61 2.79 Favored Glycine 2 C--N 1.444 6.534 0 N-CA-C 117.069 1.588 . . . . 0.0 117.069 -175.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.577 63.7 mtp180 91.53 55.91 0.0 OUTLIER 'General case' 2 N--CA 1.574 5.755 0 C-N-CA 130.866 3.666 . . . . 0.0 116.505 -178.832 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.76 131.89 54.66 Favored 'General case' 0 C--N 1.418 3.545 0 C-N-CA 128.06 2.544 . . . . 0.0 111.169 170.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.2 152.82 26.64 Favored 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 127.347 2.259 . . . . 0.0 110.581 171.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 p -55.4 -28.79 22.8 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.206 0 C-N-CA 128.938 2.895 . . . . 0.0 116.06 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.291 3.3 p-10 -91.51 8.62 35.6 Favored 'General case' 1 CA--C 1.655 5.007 0 C-N-CA 128.663 2.785 . . . . 0.0 113.829 178.099 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.263 1.6 m-20 -86.18 -31.44 21.76 Favored 'General case' 2 C--N 1.49 6.716 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 -179.22 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.3 m 45.89 119.74 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.735 0 C-N-CA 128.801 2.84 . . . . 0.0 116.451 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.517 HG21 HG13 ' A' ' 64' ' ' VAL 0.252 14.9 mt -84.46 129.78 37.09 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.871 0 C-N-CA 124.869 1.268 . . . . 0.0 110.718 -175.498 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.266 1.6 pt? -95.98 -46.23 6.6 Favored 'General case' 1 C--N 1.431 4.143 0 O-C-N 125.12 1.512 . . . . 0.0 112.327 168.566 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -132.21 136.15 46.82 Favored 'General case' 1 C--N 1.446 4.789 0 O-C-N 124.986 1.429 . . . . 0.0 113.035 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.517 HG13 HG21 ' A' ' 61' ' ' ILE 0.459 1.4 m -121.29 139.45 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.638 0 C-N-CA 124.382 1.073 . . . . 0.0 111.958 172.433 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 70.13 -1.4 2.44 Favored 'General case' 2 N--CA 1.594 6.731 0 C-N-CA 128.216 2.607 . . . . 0.0 115.191 177.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.418 46.2 mt-10 89.11 8.2 0.11 Allowed 'General case' 3 N--CA 1.586 6.355 0 C-N-CA 131.135 3.774 . . . . 0.0 112.44 -161.012 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.383 30.1 m -97.24 152.33 4.03 Favored 'Isoleucine or valine' 2 C--N 1.458 5.308 0 C-N-CA 127.993 2.517 . . . . 0.0 113.92 179.08 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.473 4.4 p30 -81.85 97.99 8.29 Favored 'General case' 0 C--N 1.412 3.305 0 C-N-CA 127.415 2.286 . . . . 0.0 115.684 -173.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.373 0.9 OUTLIER -106.61 9.2 9.47 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.138 0 C-N-CA 128.252 2.621 . . . . 0.0 113.197 -178.611 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -65.1 -23.66 67.21 Favored 'General case' 1 N--CA 1.574 5.757 0 C-N-CA 127.318 2.247 . . . . 0.0 113.843 173.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -154.61 84.95 1.11 Allowed 'General case' 1 C--N 1.458 5.302 0 C-N-CA 129.348 3.059 . . . . 0.0 110.052 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.537 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.267 32.6 m -143.68 171.4 8.23 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.212 0 C-N-CA 126.54 1.936 . . . . 0.0 109.236 174.413 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -82.3 162.78 22.15 Favored 'General case' 1 N--CA 1.563 5.224 0 C-N-CA 127.755 2.422 . . . . 0.0 109.634 167.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.281 50.7 p-80 -51.64 -50.67 59.85 Favored 'General case' 4 N--CA 1.605 7.306 0 C-N-CA 124.637 1.175 . . . . 0.0 113.489 178.103 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.1 m -59.13 -31.26 68.79 Favored 'General case' 2 C--N 1.442 4.603 0 C-N-CA 127.814 2.446 . . . . 0.0 114.209 177.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.12 -21.86 49.74 Favored 'General case' 1 C--N 1.475 6.044 0 C-N-CA 126.824 2.049 . . . . 0.0 113.178 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.61 -29.71 17.62 Favored 'General case' 1 C--N 1.469 5.778 0 C-N-CA 126.037 1.735 . . . . 0.0 113.32 171.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.5 t -73.09 -40.19 58.1 Favored 'Isoleucine or valine' 3 N--CA 1.597 6.903 0 C-N-CA 126.877 2.071 . . . . 0.0 111.18 174.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.34 -17.6 64.82 Favored 'General case' 1 N--CA 1.596 6.84 0 C-N-CA 128.544 2.737 . . . . 0.0 115.479 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.29 -28.81 47.62 Favored 'General case' 0 CA--C 1.62 3.655 0 C-N-CA 126.845 2.058 . . . . 0.0 111.207 166.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' A' ' 88' ' ' VAL 0.346 15.8 mt -92.84 -31.37 15.02 Favored 'General case' 1 C--N 1.471 5.881 0 N-CA-C 117.962 2.578 . . . . 0.0 117.962 -179.739 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -87.7 -34.54 18.36 Favored 'General case' 1 N--CA 1.541 4.123 0 C-N-CA 127.642 2.377 . . . . 0.0 114.037 175.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.292 39.4 mt-10 -86.41 -24.35 25.76 Favored 'General case' 2 N--CA 1.594 6.741 0 N-CA-C 119.965 3.321 . . . . 0.0 119.965 -177.934 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 88' ' ' VAL . . . -57.7 -23.32 51.1 Favored 'General case' 3 N--CA 1.594 6.725 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.31 -34.81 5.47 Favored Glycine 1 C--N 1.423 5.382 0 N-CA-C 119.804 2.681 . . . . 0.0 119.804 166.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.4 m -169.8 -34.86 0.02 OUTLIER 'General case' 1 N--CA 1.557 4.908 0 C-N-CA 128.625 2.77 . . . . 0.0 112.439 -171.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.286 24.1 mm -121.52 108.65 22.8 Favored 'Isoleucine or valine' 1 C--N 1.441 4.578 0 C-N-CA 125.86 1.664 . . . . 0.0 108.865 -174.159 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 81' ' ' LEU 0.315 0.3 OUTLIER -118.93 119.68 61.69 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.561 0 CA-C-N 112.32 -2.218 . . . . 0.0 113.369 -176.46 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.415 34.2 ptt180 -107.96 131.0 55.01 Favored 'General case' 1 N--CA 1.554 4.774 0 C-N-CA 126.524 1.93 . . . . 0.0 114.822 -178.629 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -125.88 141.53 51.94 Favored 'General case' 0 N--CA 1.535 3.803 0 C-N-CA 128.464 2.706 . . . . 0.0 113.731 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -121.98 112.08 17.85 Favored 'General case' 1 C--O 1.315 4.544 0 C-N-CA 126.982 2.113 . . . . 0.0 110.818 177.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 30.1 m -106.59 159.85 6.27 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.382 0 O-C-N 126.818 2.574 . . . . 0.0 114.765 -176.407 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.292 25.7 ptt? -126.17 115.35 19.64 Favored 'General case' 1 N--CA 1.568 5.433 0 C-N-CA 127.734 2.413 . . . . 0.0 114.007 -176.467 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.334 16.7 ptm180 . . . . . 1 N--CA 1.546 4.337 0 C-N-CA 126.923 2.089 . . . . 0.0 112.271 178.411 . . . . . . . . 2 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.53 3.575 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 2 N--CA 1.546 4.335 0 C-N-CA 128.077 2.551 . . . . 0.0 104.787 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.319 10.1 pt-20 . . . . . 1 N--CA 1.544 4.241 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 . . . . . . . . . 2 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -103.4 143.49 32.63 Favored 'General case' 1 N--CA 1.546 4.343 0 C-N-CA 125.902 1.681 . . . . 0.0 113.656 -176.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -122.74 134.52 54.44 Favored 'General case' 1 N--CA 1.551 4.586 0 C-N-CA 126.041 1.736 . . . . 0.0 113.33 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.309 12.3 pt-20 -110.42 109.72 20.21 Favored 'General case' 0 C--N 1.425 3.869 0 C-N-CA 125.829 1.652 . . . . 0.0 112.131 173.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -112.07 138.22 41.79 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.828 0 C-N-CA 125.165 1.386 . . . . 0.0 109.59 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.445 HG23 ' HB3' ' A' ' 89' ' ' ARG . 2.0 m -116.76 118.88 33.75 Favored 'General case' 0 C--N 1.418 3.577 0 C-N-CA 125.838 1.655 . . . . 0.0 108.434 174.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 N--CA 1.521 3.106 0 C-N-CA 127.608 2.363 . . . . 0.0 112.896 178.768 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.442 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.501 2.998 0 CA-C-O 119.221 -0.766 . . . . 0.0 114.224 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -154.43 168.56 26.28 Favored 'General case' 2 C--N 1.438 4.449 0 C-N-CA 129.124 2.97 . . . . 0.0 108.533 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.558 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.1 m -135.17 146.28 48.58 Favored 'General case' 2 C--N 1.444 4.686 0 C-N-CA 123.993 0.917 . . . . 0.0 111.251 166.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.487 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.557 2.2 pp -118.84 123.58 71.74 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.945 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -175.223 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.71 116.69 33.07 Favored 'General case' 1 C--N 1.438 4.453 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.28 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.78 154.9 24.97 Favored Glycine 1 N--CA 1.518 4.161 0 C-N-CA 125.718 1.628 . . . . 0.0 113.284 -173.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.02 149.93 7.53 Favored Glycine 2 N--CA 1.521 4.331 0 N-CA-C 118.263 2.065 . . . . 0.0 118.263 -170.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.251 8.5 p -104.74 -44.66 4.8 Favored 'General case' 1 N--CA 1.561 5.093 0 C-N-CA 126.003 1.721 . . . . 0.0 113.424 165.991 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -99.47 -31.99 11.36 Favored 'General case' 2 C--N 1.432 4.16 0 C-N-CA 126.556 1.943 . . . . 0.0 113.145 177.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 2 C--N 1.447 4.814 0 C-N-CA 127.102 2.161 . . . . 0.0 112.3 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 1 N--CA 1.552 4.654 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.302 0.6 OUTLIER -94.5 111.78 25.99 Favored 'Isoleucine or valine' 3 C--N 1.451 4.991 0 C-N-CA 125.413 1.485 . . . . 0.0 109.594 -177.974 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -119.76 147.0 45.15 Favored 'General case' 1 N--CA 1.54 4.038 0 C-N-CA 129.886 3.274 . . . . 0.0 111.94 -171.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -86.72 138.58 18.79 Favored 'Isoleucine or valine' 2 C--N 1.448 4.852 0 C-N-CA 125.755 1.622 . . . . 0.0 109.886 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -141.72 -33.99 0.49 Allowed 'General case' 0 CA--C 1.624 3.807 0 C-N-CA 127.53 2.332 . . . . 0.0 109.443 -171.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.275 51.3 tptt -121.84 128.09 51.25 Favored 'General case' 1 C--N 1.464 5.561 0 C-N-CA 124.344 1.058 . . . . 0.0 113.163 179.721 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.649 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 46.1 mm -127.87 124.3 62.68 Favored 'Isoleucine or valine' 0 C--N 1.414 3.411 0 C-N-CA 127.425 2.29 . . . . 0.0 108.094 172.27 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.291 2.9 mp -82.39 131.24 56.28 Favored Pre-proline 2 CA--C 1.678 5.893 0 C-N-CA 127.158 2.183 . . . . 0.0 110.562 173.407 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.91 -19.28 63.97 Favored 'Trans proline' 3 C--N 1.539 10.564 0 C-N-CA 124.197 3.265 . . . . 0.0 117.485 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.86 39.16 1.82 Allowed Glycine 1 C--N 1.429 5.731 0 CA-C-O 117.989 -1.451 . . . . 0.0 115.885 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -94.78 -177.69 38.11 Favored Glycine 2 C--N 1.443 6.499 0 C-N-CA 125.34 1.447 . . . . 0.0 116.569 174.752 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -38.07 28.88 Favored 'General case' 1 N--CA 1.54 4.044 0 C-N-CA 128.748 2.819 . . . . 0.0 115.384 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.5 -24.08 36.92 Favored 'General case' 2 N--CA 1.555 4.811 0 C-N-CA 126.774 2.03 . . . . 0.0 116.073 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 -41.68 16.32 Favored 'General case' 1 C--N 1.444 4.692 0 C-N-CA 127.344 2.257 . . . . 0.0 113.468 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -91.08 -56.58 3.11 Favored 'General case' 2 C--N 1.448 4.872 0 C-N-CA 127.241 2.216 . . . . 0.0 115.06 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.76 -32.7 16.02 Favored 'General case' 2 C--N 1.459 5.345 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -173.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.23 -51.08 3.43 Favored Glycine 2 C--N 1.439 6.276 0 N-CA-C 117.627 1.811 . . . . 0.0 117.627 -172.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.556 86.9 mtm180 90.74 52.62 0.0 OUTLIER 'General case' 2 N--CA 1.577 5.908 0 C-N-CA 130.666 3.586 . . . . 0.0 116.232 -178.479 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.14 130.23 55.69 Favored 'General case' 0 C--N 1.419 3.623 0 C-N-CA 127.909 2.484 . . . . 0.0 111.575 171.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -111.33 154.8 24.02 Favored 'General case' 0 N--CA 1.528 3.434 0 C-N-CA 127.673 2.389 . . . . 0.0 110.651 170.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 0.252 4.2 p -56.26 -28.38 25.75 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.002 0 C-N-CA 128.815 2.846 . . . . 0.0 116.302 -179.039 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -91.92 10.77 27.44 Favored 'General case' 1 CA--C 1.673 5.709 0 C-N-CA 128.627 2.771 . . . . 0.0 112.305 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.251 2.1 m-20 -89.22 -33.04 17.14 Favored 'General case' 2 C--N 1.486 6.514 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 179.652 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m 44.37 118.77 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.812 0 C-N-CA 129.401 3.08 . . . . 0.0 116.751 177.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mt -84.28 126.01 40.23 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.176 0 C-N-CA 124.7 1.2 . . . . 0.0 110.192 -175.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.264 1.5 pt? -91.44 -44.19 9.27 Favored 'General case' 1 C--N 1.431 4.115 0 C-N-CA 125.098 1.359 . . . . 0.0 112.027 171.124 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -129.68 125.81 36.86 Favored 'General case' 1 C--N 1.449 4.916 0 O-C-N 125.252 1.595 . . . . 0.0 113.406 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.9 t -112.02 130.06 66.35 Favored 'Isoleucine or valine' 1 N--CA 1.586 6.345 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 71.77 -1.98 2.64 Favored 'General case' 3 N--CA 1.63 8.572 0 C-N-CA 128.577 2.751 . . . . 0.0 114.89 -176.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.395 47.4 mt-10 87.92 8.72 0.16 Allowed 'General case' 3 N--CA 1.583 6.182 0 C-N-CA 130.772 3.629 . . . . 0.0 111.73 -160.571 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.405 24.4 m -95.82 154.94 3.44 Favored 'Isoleucine or valine' 1 C--N 1.465 5.619 0 C-N-CA 127.191 2.196 . . . . 0.0 113.747 179.176 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.433 4.5 p-10 -81.88 98.56 8.58 Favored 'General case' 0 C--N 1.411 3.27 0 C-N-CA 127.177 2.191 . . . . 0.0 115.228 -173.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.423 28.1 m -94.63 -13.97 8.19 Favored 'Isoleucine or valine' 1 N--CA 1.549 4.514 0 CA-C-N 113.084 -1.871 . . . . 0.0 115.246 176.767 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.33 38.8 ptt180 -47.96 -21.89 0.51 Allowed 'General case' 2 N--CA 1.584 6.249 0 N-CA-C 118.383 2.734 . . . . 0.0 118.383 179.791 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -150.95 74.77 1.17 Allowed 'General case' 1 C--N 1.436 4.36 0 C-N-CA 128.644 2.777 . . . . 0.0 107.242 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.293 18.6 m -140.91 160.7 23.47 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.649 0 C-N-CA 127.158 2.183 . . . . 0.0 110.783 177.529 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -77.25 162.71 27.14 Favored 'General case' 1 N--CA 1.561 5.08 0 C-N-CA 126.737 2.015 . . . . 0.0 112.3 166.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -47.25 -57.98 4.6 Favored 'General case' 3 N--CA 1.575 5.814 0 C-N-CA 129.189 2.996 . . . . 0.0 112.676 174.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.1 m -61.0 -34.01 74.14 Favored 'General case' 2 C--N 1.453 5.101 0 C-N-CA 126.576 1.95 . . . . 0.0 113.543 177.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.63 -22.44 62.52 Favored 'General case' 2 C--N 1.456 5.227 0 C-N-CA 128.365 2.666 . . . . 0.0 114.384 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.31 -35.42 15.26 Favored 'General case' 1 C--N 1.463 5.507 0 C-N-CA 126.393 1.877 . . . . 0.0 112.712 174.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.5 t -73.15 -41.95 58.66 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.833 0 C-N-CA 127.298 2.239 . . . . 0.0 111.5 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.15 -29.62 67.56 Favored 'General case' 2 N--CA 1.564 5.243 0 C-N-CA 128.719 2.808 . . . . 0.0 114.722 178.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.61 -28.23 65.76 Favored 'General case' 2 C--N 1.446 4.778 0 C-N-CA 127.252 2.221 . . . . 0.0 112.616 171.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.42 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.8 mt -91.11 -31.91 16.05 Favored 'General case' 2 C--N 1.452 5.05 0 C-N-CA 127.008 2.123 . . . . 0.0 113.6 178.764 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -83.46 -29.05 28.33 Favored 'General case' 0 C--N 1.427 3.942 0 C-N-CA 127.695 2.398 . . . . 0.0 113.832 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.387 10.1 pt-20 -70.36 -44.11 68.79 Favored 'General case' 2 N--CA 1.584 6.235 0 N-CA-C 118.437 2.755 . . . . 0.0 118.437 177.323 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.33 -20.77 66.55 Favored 'General case' 2 C--N 1.45 4.967 0 C-N-CA 125.843 1.657 . . . . 0.0 114.651 -176.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.23 -34.18 0.54 Allowed Glycine 1 C--N 1.425 5.475 0 N-CA-C 122.783 3.873 . . . . 0.0 122.783 169.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 m -143.41 -36.35 0.37 Allowed 'General case' 0 N--CA 1.516 2.831 0 C-N-CA 128.334 2.654 . . . . 0.0 112.703 -168.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.271 31.5 mm -133.38 109.49 13.69 Favored 'Isoleucine or valine' 2 C--N 1.446 4.798 0 C-N-CA 125.491 1.517 . . . . 0.0 109.246 -175.015 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.299 0.0 OUTLIER -118.41 115.72 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.354 0 O-C-N 125.694 1.871 . . . . 0.0 113.297 -179.374 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.445 ' HB3' HG23 ' A' ' 11' ' ' THR 0.393 38.0 ptt180 -107.29 105.13 14.94 Favored 'General case' 1 N--CA 1.562 5.155 0 C-N-CA 126.25 1.82 . . . . 0.0 115.182 -176.236 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.84 143.47 32.41 Favored 'General case' 0 N--CA 1.533 3.694 0 C-N-CA 127.536 2.334 . . . . 0.0 114.224 -176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -121.88 111.83 17.58 Favored 'General case' 0 C--N 1.417 3.523 0 C-N-CA 126.722 2.009 . . . . 0.0 111.153 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.3 m -106.8 159.62 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.475 0 O-C-N 126.326 2.266 . . . . 0.0 115.147 -175.105 . . . . . . . . 3 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.343 0.0 OUTLIER -126.82 112.2 15.09 Favored 'General case' 2 N--CA 1.554 4.757 0 C-N-CA 127.459 2.303 . . . . 0.0 113.68 -176.23 . . . . . . . . 4 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.355 15.4 ptm180 . . . . . 0 N--CA 1.534 3.747 0 C-N-CA 126.379 1.872 . . . . 0.0 112.789 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.487 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 68.5 m . . . . . 1 N--CA 1.552 4.649 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 C--N 1.451 5.001 0 C-N-CA 126.871 2.068 . . . . 0.0 107.302 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' HG3' ' HG3' ' A' ' 94' ' ' ARG 0.391 10.4 pt-20 . . . . . 1 N--CA 1.542 4.156 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 . . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -108.52 145.61 34.49 Favored 'General case' 0 N--CA 1.538 3.964 0 C-N-CA 126.439 1.895 . . . . 0.0 113.225 -177.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -124.52 130.9 53.32 Favored 'General case' 1 N--CA 1.543 4.203 0 C-N-CA 125.848 1.659 . . . . 0.0 113.182 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.301 11.8 pt-20 -106.46 109.24 21.11 Favored 'General case' 0 C--N 1.423 3.799 0 C-N-CA 125.765 1.626 . . . . 0.0 111.952 172.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 6.9 mt -109.74 139.28 33.55 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.813 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -178.925 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.254 0.2 OUTLIER -110.72 120.15 41.47 Favored 'General case' 0 N--CA 1.533 3.702 0 C-N-CA 126.455 1.902 . . . . 0.0 112.456 171.5 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--N 1.402 2.868 0 C-N-CA 127.076 2.15 . . . . 0.0 112.793 177.189 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.485 0 N-CA-C 115.975 1.15 . . . . 0.0 115.975 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -154.64 169.02 24.86 Favored 'General case' 1 C--N 1.44 4.534 0 C-N-CA 128.528 2.731 . . . . 0.0 109.505 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.588 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 58.8 m -135.02 144.12 47.15 Favored 'General case' 1 C--N 1.448 4.89 0 C-N-CA 124.089 0.956 . . . . 0.0 110.948 166.221 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.413 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.494 2.0 pp -120.68 129.0 76.1 Favored 'Isoleucine or valine' 2 N--CA 1.565 5.276 0 N-CA-C 119.23 3.048 . . . . 0.0 119.23 -175.361 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.65 118.23 36.37 Favored 'General case' 1 C--N 1.438 4.429 0 CA-C-N 113.2 -1.818 . . . . 0.0 111.853 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.91 159.04 24.47 Favored Glycine 0 N--CA 1.512 3.753 0 C-N-CA 126.226 1.869 . . . . 0.0 112.967 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.86 120.87 0.66 Allowed Glycine 1 C--N 1.414 4.868 0 N-CA-C 120.19 2.836 . . . . 0.0 120.19 -176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.294 12.0 p -104.44 -37.42 7.19 Favored 'General case' 1 N--CA 1.555 4.817 0 O-C-N 125.757 1.504 . . . . 0.0 113.397 161.336 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -106.36 -35.65 7.07 Favored 'General case' 2 C--N 1.435 4.314 0 C-N-CA 125.286 1.435 . . . . 0.0 113.34 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.1 m120 . . . . . 2 C--N 1.441 4.568 0 C-N-CA 127.135 2.174 . . . . 0.0 113.624 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 1 N--CA 1.557 4.896 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.592 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.291 0.6 OUTLIER -92.66 119.46 40.3 Favored 'Isoleucine or valine' 3 C--N 1.452 5.052 0 C-N-CA 125.529 1.532 . . . . 0.0 110.142 -177.709 . . . . . . . . 5 4 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -121.36 155.1 35.51 Favored 'General case' 1 N--CA 1.546 4.335 0 C-N-CA 127.686 2.395 . . . . 0.0 112.183 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -90.44 141.7 14.0 Favored 'Isoleucine or valine' 1 C--N 1.456 5.199 0 C-N-CA 125.938 1.695 . . . . 0.0 108.787 168.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.302 20.3 p -142.4 -28.16 0.6 Allowed 'General case' 1 N--CA 1.563 5.187 0 C-N-CA 127.065 2.146 . . . . 0.0 112.907 -179.626 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.588 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.287 51.9 tptt -119.8 126.39 50.89 Favored 'General case' 1 C--N 1.466 5.643 0 C-N-CA 124.103 0.961 . . . . 0.0 112.823 178.322 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.651 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 45.0 mm -127.43 124.39 63.67 Favored 'Isoleucine or valine' 0 C--N 1.411 3.266 0 C-N-CA 127.411 2.284 . . . . 0.0 107.951 172.28 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.299 3.0 mp -81.04 128.95 69.33 Favored Pre-proline 2 CA--C 1.68 5.97 0 C-N-CA 127.243 2.217 . . . . 0.0 110.913 173.455 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.63 -21.98 70.24 Favored 'Trans proline' 3 C--N 1.541 10.659 0 C-N-CA 124.315 3.343 . . . . 0.0 117.645 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.14 37.44 2.2 Favored Glycine 1 C--N 1.43 5.758 0 CA-C-O 117.891 -1.505 . . . . 0.0 115.963 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.05 -178.05 39.07 Favored Glycine 2 C--N 1.445 6.632 0 C-N-CA 125.152 1.358 . . . . 0.0 116.149 174.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.03 -35.34 31.98 Favored 'General case' 0 N--CA 1.537 3.888 0 C-N-CA 128.384 2.674 . . . . 0.0 115.706 -177.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.64 -24.03 36.6 Favored 'General case' 2 N--CA 1.565 5.31 0 C-N-CA 126.945 2.098 . . . . 0.0 116.193 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.35 -41.65 16.55 Favored 'General case' 1 C--N 1.441 4.551 0 C-N-CA 127.266 2.226 . . . . 0.0 113.31 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -91.14 -56.7 3.06 Favored 'General case' 1 C--N 1.45 4.955 0 C-N-CA 127.251 2.22 . . . . 0.0 115.039 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.68 -32.96 15.99 Favored 'General case' 2 C--N 1.461 5.417 0 N-CA-C 117.805 2.52 . . . . 0.0 117.805 -173.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.32 -49.07 4.08 Favored Glycine 2 C--N 1.437 6.165 0 N-CA-C 117.573 1.789 . . . . 0.0 117.573 -172.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.577 84.3 mtm180 88.28 54.72 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.793 0 C-N-CA 130.597 3.559 . . . . 0.0 116.809 -179.168 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tp -111.15 132.33 54.39 Favored 'General case' 0 C--N 1.417 3.51 0 C-N-CA 127.609 2.364 . . . . 0.0 111.637 171.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -111.45 153.18 26.5 Favored 'General case' 0 N--CA 1.526 3.363 0 C-N-CA 127.66 2.384 . . . . 0.0 110.563 170.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.41 -27.69 25.08 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.061 0 C-N-CA 129.008 2.923 . . . . 0.0 115.996 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -91.72 9.33 32.96 Favored 'General case' 1 CA--C 1.67 5.591 0 C-N-CA 128.748 2.819 . . . . 0.0 112.253 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.25 1.8 m-20 -84.77 -31.91 23.69 Favored 'General case' 2 C--N 1.491 6.754 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 179.472 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.5 t 45.18 122.77 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.677 0 C-N-CA 129.379 3.072 . . . . 0.0 115.978 176.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.45 HG21 HG13 ' A' ' 64' ' ' VAL 0.256 28.4 mt -84.04 130.98 34.98 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.928 0 C-N-CA 125.283 1.433 . . . . 0.0 111.011 -176.529 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.5 pt? -97.75 -45.48 6.33 Favored 'General case' 1 C--N 1.432 4.189 0 O-C-N 125.218 1.574 . . . . 0.0 112.152 166.493 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -133.36 137.44 45.89 Favored 'General case' 1 C--N 1.448 4.888 0 O-C-N 124.981 1.426 . . . . 0.0 112.988 -176.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.45 HG13 HG21 ' A' ' 61' ' ' ILE 0.466 1.3 m -121.02 139.59 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.789 0 C-N-CA 124.754 1.221 . . . . 0.0 112.112 171.66 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 69.24 -5.34 1.11 Allowed 'General case' 2 N--CA 1.598 6.946 0 C-N-CA 128.838 2.855 . . . . 0.0 115.673 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.416 11.8 mm-40 92.54 7.77 0.04 OUTLIER 'General case' 3 N--CA 1.58 6.053 0 C-N-CA 131.451 3.9 . . . . 0.0 111.994 -160.254 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.386 28.4 m -95.51 151.6 3.89 Favored 'Isoleucine or valine' 1 C--N 1.463 5.535 0 C-N-CA 127.931 2.493 . . . . 0.0 113.723 178.01 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.431 4.4 p30 -84.33 101.95 12.34 Favored 'General case' 0 C--N 1.404 2.945 0 C-N-CA 127.36 2.264 . . . . 0.0 115.455 -173.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.476 27.8 m -97.83 -3.72 9.85 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.229 0 CA-C-N 112.878 -1.965 . . . . 0.0 115.574 176.277 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -46.06 -28.47 1.19 Allowed 'General case' 3 N--CA 1.596 6.844 0 C-N-CA 128.62 2.768 . . . . 0.0 116.625 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -151.85 82.1 1.28 Allowed 'General case' 1 C--N 1.459 5.365 0 C-N-CA 129.651 3.181 . . . . 0.0 108.741 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.561 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.293 17.6 m -141.89 163.81 19.21 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.613 0 C-N-CA 126.616 1.966 . . . . 0.0 111.015 178.399 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 p -78.88 163.98 24.84 Favored 'General case' 1 N--CA 1.57 5.532 0 C-N-CA 126.729 2.012 . . . . 0.0 111.364 166.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.279 55.9 p-80 -54.07 -52.05 62.15 Favored 'General case' 2 N--CA 1.597 6.922 0 C-N-CA 125.518 1.527 . . . . 0.0 114.24 177.081 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -60.66 -33.73 73.25 Favored 'General case' 2 N--CA 1.556 4.867 0 C-N-CA 126.979 2.112 . . . . 0.0 112.958 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.26 -24.37 63.97 Favored 'General case' 2 C--N 1.452 5.037 0 C-N-CA 128.327 2.651 . . . . 0.0 114.145 174.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.67 -31.83 16.45 Favored 'General case' 1 C--N 1.461 5.429 0 C-N-CA 126.744 2.017 . . . . 0.0 113.192 174.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.0 t -74.55 -41.54 48.87 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.736 0 C-N-CA 127.589 2.356 . . . . 0.0 111.488 176.104 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.08 -20.3 66.12 Favored 'General case' 1 N--CA 1.597 6.892 0 C-N-CA 128.575 2.75 . . . . 0.0 115.224 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.73 -29.65 62.37 Favored 'General case' 1 C--N 1.431 4.131 0 C-N-CA 126.626 1.97 . . . . 0.0 111.321 166.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.431 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.254 12.5 mt -93.04 -31.24 14.93 Favored 'General case' 1 C--N 1.456 5.23 0 C-N-CA 126.904 2.082 . . . . 0.0 116.107 -178.768 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -85.01 -38.54 19.1 Favored 'General case' 1 N--CA 1.544 4.257 0 C-N-CA 127.341 2.256 . . . . 0.0 113.104 176.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.268 39.2 mt-10 -90.0 -17.23 28.23 Favored 'General case' 2 N--CA 1.59 6.544 0 N-CA-C 120.011 3.337 . . . . 0.0 120.011 -175.809 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.49 -22.93 46.99 Favored 'General case' 3 N--CA 1.592 6.641 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.83 -35.12 5.2 Favored Glycine 1 C--N 1.423 5.379 0 N-CA-C 119.822 2.689 . . . . 0.0 119.822 165.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 t -173.42 -30.96 0.01 OUTLIER 'General case' 1 N--CA 1.566 5.365 0 C-N-CA 128.324 2.65 . . . . 0.0 111.016 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.276 23.4 mm -123.1 124.83 71.04 Favored 'Isoleucine or valine' 1 C--N 1.437 4.41 0 C-N-CA 125.545 1.538 . . . . 0.0 109.563 -178.96 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.371 23.3 m -124.57 121.54 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.758 0 C-N-CA 127.906 2.483 . . . . 0.0 111.945 178.551 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.406 37.0 ptt180 -113.46 99.69 7.95 Favored 'General case' 1 N--CA 1.556 4.829 0 C-N-CA 125.824 1.649 . . . . 0.0 115.302 -176.054 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.26 137.04 32.68 Favored 'General case' 0 N--CA 1.533 3.715 0 C-N-CA 127.321 2.248 . . . . 0.0 114.144 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -118.6 110.38 17.28 Favored 'General case' 1 C--O 1.318 4.666 0 C-N-CA 126.694 1.998 . . . . 0.0 110.57 177.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 31.3 m -106.48 159.39 6.35 Favored 'Isoleucine or valine' 2 CA--C 1.659 5.144 0 O-C-N 127.106 2.754 . . . . 0.0 114.793 -176.398 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.286 25.8 ptt? -128.15 120.97 28.41 Favored 'General case' 1 N--CA 1.572 5.66 0 C-N-CA 127.467 2.307 . . . . 0.0 114.644 -175.21 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.413 ' HG3' ' HG3' ' A' ' 6' ' ' GLU 0.354 35.4 ptt180 . . . . . 1 N--CA 1.54 4.029 0 C-N-CA 127.007 2.123 . . . . 0.0 112.099 175.926 . . . . . . . . 3 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 71.2 m . . . . . 1 CA--C 1.633 4.157 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 1 C--N 1.433 4.213 0 C-N-CA 127.077 2.151 . . . . 0.0 109.513 -173.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 1 N--CA 1.558 4.934 0 CA-C-O 121.29 0.566 . . . . 0.0 111.65 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -104.22 144.1 32.06 Favored 'General case' 1 N--CA 1.55 4.553 0 C-N-CA 126.495 1.918 . . . . 0.0 113.051 -177.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -130.62 133.07 45.84 Favored 'General case' 2 N--CA 1.552 4.664 0 C-N-CA 124.58 1.152 . . . . 0.0 111.578 -177.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.287 11.5 pt-20 -106.23 113.03 26.31 Favored 'General case' 2 N--CA 1.541 4.098 0 C-N-CA 126.501 1.92 . . . . 0.0 112.661 175.393 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -114.96 146.9 18.8 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.1 0 C-N-CA 125.306 1.442 . . . . 0.0 110.634 -176.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.28 127.23 55.33 Favored 'General case' 2 N--CA 1.552 4.675 0 C-N-CA 127.246 2.218 . . . . 0.0 113.571 172.494 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.536 3.851 0 C-N-CA 126.798 2.039 . . . . 0.0 113.258 176.704 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.573 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -158.95 165.05 34.99 Favored 'General case' 0 CA--C 1.624 3.796 0 C-N-CA 128.774 2.83 . . . . 0.0 108.561 167.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.58 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 75.7 m -131.31 139.25 49.52 Favored 'General case' 1 C--N 1.437 4.404 0 C-N-CA 125.645 1.578 . . . . 0.0 110.098 170.426 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' B' ' 8' ' ' SER 0.512 2.1 pp -113.97 122.74 68.68 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.256 0 N-CA-C 119.216 3.043 . . . . 0.0 119.216 -174.025 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.53 117.61 34.56 Favored 'General case' 0 C--N 1.427 3.953 0 CA-C-N 113.505 -1.68 . . . . 0.0 111.464 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.72 153.26 14.54 Favored Glycine 0 C--N 1.382 3.133 0 CA-C-N 113.399 -1.728 . . . . 0.0 113.089 -174.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.05 147.66 6.32 Favored Glycine 0 N--CA 1.514 3.861 0 N-CA-C 117.794 1.877 . . . . 0.0 117.794 -169.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.253 6.1 p -96.78 -33.27 11.74 Favored 'General case' 1 N--CA 1.56 5.073 0 C-N-CA 126.433 1.893 . . . . 0.0 113.268 167.629 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.72 -38.56 7.02 Favored 'General case' 1 C--N 1.432 4.164 0 C-N-CA 125.915 1.686 . . . . 0.0 112.473 175.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 2 CA--C 1.689 6.296 0 C-N-CA 126.568 1.947 . . . . 0.0 110.552 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 2 N--CA 1.566 5.34 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 1.605 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.261 0.7 OUTLIER -98.18 129.09 48.92 Favored 'Isoleucine or valine' 3 C--N 1.444 4.677 0 C-N-CA 126.15 1.78 . . . . 0.0 109.835 -178.744 . . . . . . . . 5 4 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -134.99 158.94 43.05 Favored 'General case' 1 N--CA 1.557 4.88 0 C-N-CA 128.281 2.632 . . . . 0.0 111.312 -176.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -90.31 144.43 9.13 Favored 'Isoleucine or valine' 2 C--N 1.462 5.459 0 C-N-CA 125.998 1.719 . . . . 0.0 109.766 172.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.432 14.0 t -145.52 -28.09 0.45 Allowed 'General case' 1 N--CA 1.555 4.782 0 C-N-CA 126.453 1.901 . . . . 0.0 113.627 179.632 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 11.3 tmtt? -122.96 125.62 45.64 Favored 'General case' 1 C--N 1.459 5.35 0 O-C-N 124.163 0.914 . . . . 0.0 110.702 -179.051 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.608 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 41.1 mm -122.15 128.67 75.61 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.167 0 C-N-CA 127.119 2.168 . . . . 0.0 108.442 174.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.29 3.9 mp -83.58 130.24 56.73 Favored Pre-proline 1 CA--C 1.682 6.034 0 C-N-CA 125.689 1.596 . . . . 0.0 109.951 172.705 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.65 -22.02 70.13 Favored 'Trans proline' 3 C--N 1.536 10.408 0 C-N-CA 124.401 3.4 . . . . 0.0 117.706 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.57 46.06 1.09 Allowed Glycine 1 C--N 1.428 5.668 0 O-C-N 124.753 1.283 . . . . 0.0 115.292 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.573 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -99.24 -177.37 31.64 Favored Glycine 2 C--N 1.434 6.002 0 C-N-CA 125.832 1.682 . . . . 0.0 115.093 173.678 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.72 -39.09 27.63 Favored 'General case' 1 N--CA 1.546 4.332 0 C-N-CA 126.842 2.057 . . . . 0.0 116.445 -176.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.27 -24.72 37.1 Favored 'General case' 2 N--CA 1.557 4.895 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.19 -46.2 12.13 Favored 'General case' 1 C--N 1.45 4.947 0 C-N-CA 127.674 2.389 . . . . 0.0 113.785 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -90.65 -53.04 4.59 Favored 'General case' 1 C--N 1.45 4.943 0 C-N-CA 127.649 2.38 . . . . 0.0 114.913 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.91 -35.7 14.59 Favored 'General case' 1 C--N 1.455 5.172 0 N-CA-C 117.947 2.573 . . . . 0.0 117.947 -172.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.3 -74.68 1.29 Allowed Glycine 2 C--N 1.463 7.616 0 N-CA-C 118.187 2.035 . . . . 0.0 118.187 -170.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 173.79 -25.87 0.0 OUTLIER 'General case' 2 N--CA 1.623 8.188 0 C-N-CA 129.217 3.007 . . . . 0.0 114.215 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . 0.29 2.0 tt -77.92 128.78 34.47 Favored 'General case' 1 C--N 1.453 5.069 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -161.996 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -111.32 155.4 23.11 Favored 'General case' 0 CA--C 1.612 3.36 0 C-N-CA 129.156 2.983 . . . . 0.0 110.57 170.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 p -54.23 -27.18 16.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.41 0 C-N-CA 129.626 3.17 . . . . 0.0 116.138 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -91.32 8.9 33.8 Favored 'General case' 1 CA--C 1.668 5.483 0 C-N-CA 128.586 2.754 . . . . 0.0 112.395 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.98 -35.52 17.57 Favored 'General case' 2 C--N 1.484 6.43 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.271 70.3 m 44.74 118.47 0.0 OUTLIER 'General case' 2 N--CA 1.591 6.59 0 C-N-CA 129.557 3.143 . . . . 0.0 117.044 177.27 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mt -85.26 127.77 39.67 Favored 'Isoleucine or valine' 1 N--CA 1.565 5.296 0 C-N-CA 125.062 1.345 . . . . 0.0 110.376 -175.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.5 pt? -93.36 -43.36 8.82 Favored 'General case' 0 C--N 1.428 3.985 0 O-C-N 125.063 1.477 . . . . 0.0 112.652 170.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -129.82 127.32 40.04 Favored 'General case' 2 C--N 1.447 4.819 0 O-C-N 125.108 1.505 . . . . 0.0 113.517 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 t -115.04 129.86 70.52 Favored 'Isoleucine or valine' 1 N--CA 1.593 6.694 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 -178.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 74.43 -4.95 2.2 Favored 'General case' 2 N--CA 1.629 8.504 0 C-N-CA 128.625 2.77 . . . . 0.0 114.597 -174.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.399 46.8 mt-10 89.12 7.9 0.11 Allowed 'General case' 3 N--CA 1.582 6.145 0 C-N-CA 130.976 3.711 . . . . 0.0 111.654 -159.621 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.401 21.4 m -94.62 156.01 3.19 Favored 'Isoleucine or valine' 1 C--N 1.468 5.75 0 C-N-CA 126.74 2.016 . . . . 0.0 113.841 178.972 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.442 4.5 p-10 -82.02 98.0 8.4 Favored 'General case' 0 C--N 1.414 3.393 0 C-N-CA 127.095 2.158 . . . . 0.0 115.21 -173.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.422 26.4 m -91.61 -15.31 8.35 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.208 0 CA-C-N 112.741 -2.027 . . . . 0.0 115.124 176.548 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.307 17.0 ptm180 -44.66 -26.51 0.39 Allowed 'General case' 3 N--CA 1.583 6.179 0 C-N-CA 128.582 2.753 . . . . 0.0 118.173 -179.61 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -145.88 73.69 1.35 Allowed 'General case' 1 C--N 1.442 4.623 0 C-N-CA 129.443 3.097 . . . . 0.0 108.982 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 1.587 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.293 16.7 m -142.78 159.99 18.52 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.628 0 C-N-CA 126.756 2.022 . . . . 0.0 110.635 178.051 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -77.6 163.68 26.03 Favored 'General case' 1 N--CA 1.575 5.818 0 C-N-CA 126.59 1.956 . . . . 0.0 111.8 167.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.319 26.4 p-80 -51.0 -52.68 40.36 Favored 'General case' 2 N--CA 1.595 6.777 0 C-N-CA 125.933 1.693 . . . . 0.0 114.635 175.61 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 m -59.24 -35.94 74.56 Favored 'General case' 2 N--CA 1.567 5.394 0 C-N-CA 126.963 2.105 . . . . 0.0 113.538 176.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.38 -22.71 61.84 Favored 'General case' 2 C--N 1.452 5.031 0 C-N-CA 128.643 2.777 . . . . 0.0 114.303 174.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.6 -32.61 16.19 Favored 'General case' 1 C--N 1.46 5.386 0 C-N-CA 126.971 2.108 . . . . 0.0 112.78 175.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -75.23 -39.91 43.06 Favored 'Isoleucine or valine' 3 N--CA 1.588 6.428 0 C-N-CA 128.209 2.604 . . . . 0.0 110.721 175.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.8 mt-10 -65.56 -16.96 64.21 Favored 'General case' 2 N--CA 1.591 6.591 0 C-N-CA 128.019 2.528 . . . . 0.0 114.587 175.198 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.83 -28.02 55.36 Favored 'General case' 0 CA--C 1.629 3.999 0 C-N-CA 127.28 2.232 . . . . 0.0 111.748 166.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.507 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.3 mt -91.1 -45.89 8.43 Favored 'General case' 1 C--N 1.46 5.396 0 C-N-CA 126.091 1.756 . . . . 0.0 114.534 177.102 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.01 -32.83 61.72 Favored 'General case' 1 N--CA 1.547 4.4 0 C-N-CA 127.838 2.455 . . . . 0.0 114.333 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.277 40.2 mt-10 -89.8 -17.67 27.72 Favored 'General case' 2 N--CA 1.587 6.413 0 N-CA-C 119.698 3.221 . . . . 0.0 119.698 -178.116 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.76 -24.77 64.33 Favored 'General case' 3 N--CA 1.597 6.918 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.9 -34.95 4.84 Favored Glycine 1 C--N 1.421 5.272 0 N-CA-C 119.02 2.368 . . . . 0.0 119.02 165.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.3 t -177.18 -30.11 0.01 OUTLIER 'General case' 2 N--CA 1.567 5.392 0 C-N-CA 128.596 2.758 . . . . 0.0 111.032 -175.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.285 21.8 mm -123.83 116.1 47.07 Favored 'Isoleucine or valine' 1 C--N 1.442 4.599 0 C-N-CA 125.846 1.658 . . . . 0.0 109.071 -175.588 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.507 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.275 0.0 OUTLIER -119.8 122.71 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.027 0 CA-C-N 111.99 -2.368 . . . . 0.0 113.362 -177.167 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.385 36.4 ptt180 -109.5 103.71 12.65 Favored 'General case' 1 N--CA 1.551 4.607 0 C-N-CA 126.958 2.103 . . . . 0.0 114.875 -178.079 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.0 141.36 32.92 Favored 'General case' 0 N--CA 1.532 3.638 0 C-N-CA 127.69 2.396 . . . . 0.0 113.69 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -120.14 112.33 18.96 Favored 'General case' 0 C--O 1.3 3.717 0 C-N-CA 126.708 2.003 . . . . 0.0 111.525 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.254 33.4 m -105.3 160.12 5.45 Favored 'Isoleucine or valine' 2 N--CA 1.572 5.641 0 O-C-N 126.458 2.349 . . . . 0.0 115.25 -175.781 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.302 25.5 ptt? -127.13 116.77 21.18 Favored 'General case' 2 N--CA 1.563 5.198 0 C-N-CA 127.809 2.444 . . . . 0.0 114.017 -175.164 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 . . . . . 0 CA--C 1.628 3.96 0 C-N-CA 126.999 2.119 . . . . 0.0 109.788 -179.301 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.426 ' HB3' HD12 ' A' ' 23' ' ' ILE . 48.9 m . . . . . 2 N--CA 1.549 4.509 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 1.546 ' CA ' ' CB ' ' B' ' 9' ' ' VAL . 3.3 t . . . . . 3 C--N 1.461 5.416 0 C-N-CA 126.848 2.059 . . . . 0.0 107.596 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.324 10.4 pt-20 . . . . . 1 N--CA 1.551 4.618 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 2 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -102.19 142.73 32.96 Favored 'General case' 1 N--CA 1.549 4.501 0 C-N-CA 126.145 1.778 . . . . 0.0 113.043 -177.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -126.96 131.49 51.06 Favored 'General case' 1 C--N 1.434 4.251 0 C-N-CA 124.712 1.205 . . . . 0.0 110.884 -177.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.295 11.6 pt-20 -105.97 113.25 26.69 Favored 'General case' 0 C--N 1.422 3.728 0 C-N-CA 126.454 1.902 . . . . 0.0 112.407 175.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -111.46 136.59 47.08 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.284 0 C-N-CA 124.742 1.217 . . . . 0.0 109.136 -178.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -121.95 116.19 23.9 Favored 'General case' 0 N--CA 1.528 3.448 0 C-N-CA 125.76 1.624 . . . . 0.0 107.694 173.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.406 3.035 0 C-N-CA 126.949 2.1 . . . . 0.0 112.012 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.754 0 CA-C-O 119.256 -0.747 . . . . 0.0 113.401 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -156.19 170.28 22.6 Favored 'General case' 1 C--N 1.449 4.918 0 C-N-CA 128.547 2.739 . . . . 0.0 109.133 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 67.3 m -137.13 145.28 43.64 Favored 'General case' 1 C--N 1.444 4.69 0 C-N-CA 125.057 1.343 . . . . 0.0 111.028 169.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.551 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.545 2.3 pp -119.37 124.57 73.25 Favored 'Isoleucine or valine' 2 N--CA 1.57 5.533 0 N-CA-C 119.389 3.107 . . . . 0.0 119.389 -174.588 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.17 117.72 34.8 Favored 'General case' 1 C--N 1.44 4.518 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.006 -176.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.34 158.67 31.52 Favored Glycine 0 N--CA 1.512 3.709 0 C-N-CA 125.909 1.718 . . . . 0.0 113.229 -175.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.31 147.5 6.29 Favored Glycine 1 C--N 1.399 4.044 0 N-CA-C 118.366 2.106 . . . . 0.0 118.366 -171.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.251 8.5 p -101.87 -38.08 7.98 Favored 'General case' 1 N--CA 1.559 4.982 0 C-N-CA 126.342 1.857 . . . . 0.0 113.219 166.349 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -103.23 -36.29 8.14 Favored 'General case' 1 C--N 1.432 4.185 0 C-N-CA 125.885 1.674 . . . . 0.0 112.548 176.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.254 45.7 m-80 . . . . . 2 CA--C 1.655 4.999 0 C-N-CA 127.238 2.215 . . . . 0.0 112.641 179.651 . . . . . . . . 2 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 1 N--CA 1.556 4.864 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.278 0.7 OUTLIER -97.87 120.72 47.57 Favored 'Isoleucine or valine' 3 C--N 1.442 4.589 0 C-N-CA 125.844 1.658 . . . . 0.0 109.716 -177.401 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -126.83 149.25 49.8 Favored 'General case' 1 N--CA 1.54 4.068 0 C-N-CA 129.467 3.107 . . . . 0.0 112.002 -170.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -88.14 141.12 14.75 Favored 'Isoleucine or valine' 2 C--N 1.453 5.101 0 C-N-CA 125.93 1.692 . . . . 0.0 109.967 175.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.315 9.6 p -143.44 -29.43 0.52 Allowed 'General case' 1 N--CA 1.554 4.766 0 C-N-CA 127.363 2.265 . . . . 0.0 114.0 -177.837 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.9 tmtt? -121.38 125.05 46.01 Favored 'General case' 1 C--N 1.466 5.659 0 O-C-N 123.917 0.76 . . . . 0.0 111.206 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 1.63 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 43.4 mm -123.87 127.71 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.606 3.1 0 C-N-CA 126.988 2.115 . . . . 0.0 108.012 174.195 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.1 mp -83.74 124.1 75.43 Favored Pre-proline 1 CA--C 1.679 5.921 0 C-N-CA 126.163 1.785 . . . . 0.0 109.672 173.698 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.28 -19.96 66.11 Favored 'Trans proline' 3 C--N 1.54 10.612 0 C-N-CA 124.509 3.473 . . . . 0.0 117.779 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.97 41.23 1.53 Allowed Glycine 1 C--N 1.425 5.515 0 CA-C-O 118.272 -1.293 . . . . 0.0 115.601 176.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.71 -178.02 39.56 Favored Glycine 2 C--N 1.443 6.526 0 C-N-CA 125.333 1.444 . . . . 0.0 115.436 173.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.0 -38.58 27.29 Favored 'General case' 1 N--CA 1.543 4.218 0 C-N-CA 127.932 2.493 . . . . 0.0 116.104 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.44 -25.36 36.19 Favored 'General case' 2 N--CA 1.556 4.855 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 177.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.23 -45.85 11.6 Favored 'General case' 1 C--N 1.453 5.087 0 C-N-CA 127.81 2.444 . . . . 0.0 114.036 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -90.33 -51.45 5.42 Favored 'General case' 1 C--N 1.451 4.999 0 C-N-CA 127.584 2.354 . . . . 0.0 114.938 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.73 -31.37 16.59 Favored 'General case' 1 C--N 1.455 5.165 0 N-CA-C 117.071 2.248 . . . . 0.0 117.071 -174.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.64 -74.16 1.28 Allowed Glycine 2 C--N 1.468 7.892 0 CA-C-O 117.412 -1.771 . . . . 0.0 117.199 -175.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.251 43.8 mtp180 166.25 -23.06 0.0 OUTLIER 'General case' 2 N--CA 1.621 8.086 0 C-N-CA 130.437 3.495 . . . . 0.0 114.019 178.686 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.64 128.5 36.47 Favored 'General case' 1 C--N 1.458 5.301 0 N-CA-C 117.325 2.343 . . . . 0.0 117.325 -163.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.64 153.43 26.38 Favored 'General case' 0 N--CA 1.523 3.196 0 C-N-CA 128.939 2.896 . . . . 0.0 111.068 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.56 -25.63 18.21 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.452 0 C-N-CA 129.794 3.237 . . . . 0.0 116.112 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -91.61 8.47 36.59 Favored 'General case' 1 CA--C 1.664 5.354 0 C-N-CA 128.783 2.833 . . . . 0.0 112.382 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.19 -36.41 24.7 Favored 'General case' 2 C--N 1.488 6.588 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.251 50.7 m 45.44 118.71 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.798 0 C-N-CA 129.279 3.032 . . . . 0.0 116.619 178.45 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 64' ' ' VAL . 6.7 mt -85.53 128.94 38.72 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.267 0 C-N-CA 124.845 1.258 . . . . 0.0 110.716 -174.77 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.25 1.5 pt? -95.92 -42.84 8.1 Favored 'General case' 0 C--N 1.425 3.877 0 O-C-N 125.162 1.539 . . . . 0.0 112.767 169.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -132.35 123.39 26.7 Favored 'General case' 1 C--N 1.451 4.987 0 O-C-N 124.867 1.354 . . . . 0.0 113.125 -176.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.506 ' O ' HG22 ' A' ' 67' ' ' VAL 0.375 2.8 p -120.9 129.71 75.4 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.26 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.348 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t30 74.87 0.53 3.57 Favored 'General case' 2 N--CA 1.627 8.417 0 C-N-CA 128.752 2.821 . . . . 0.0 111.089 -171.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.389 11.8 mm-40 86.57 15.33 0.11 Allowed 'General case' 3 N--CA 1.571 5.591 0 C-N-CA 131.452 3.901 . . . . 0.0 111.845 -161.115 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 64' ' ' VAL 0.353 5.0 m -93.15 155.12 3.16 Favored 'Isoleucine or valine' 1 C--N 1.477 6.12 0 C-N-CA 126.498 1.919 . . . . 0.0 113.05 -177.822 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.438 4.4 p30 -83.75 92.71 7.79 Favored 'General case' 0 C--N 1.403 2.909 0 O-C-N 126.063 2.102 . . . . 0.0 114.544 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.486 30.2 m -89.84 -7.32 10.82 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.273 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 177.251 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.292 17.0 ptm180 -46.97 -25.94 0.9 Allowed 'General case' 2 N--CA 1.582 6.137 0 C-N-CA 128.521 2.728 . . . . 0.0 118.192 178.294 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.12 77.13 1.07 Allowed 'General case' 1 C--N 1.445 4.754 0 C-N-CA 128.562 2.745 . . . . 0.0 107.325 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 18.8 m -142.56 162.68 18.37 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.902 0 C-N-CA 127.166 2.186 . . . . 0.0 110.935 178.586 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 p -78.66 165.23 23.88 Favored 'General case' 1 N--CA 1.572 5.654 0 C-N-CA 126.966 2.106 . . . . 0.0 111.822 166.358 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.269 54.3 p-80 -51.25 -53.23 37.39 Favored 'General case' 2 N--CA 1.6 7.06 0 C-N-CA 126.371 1.868 . . . . 0.0 114.218 175.532 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -57.71 -38.12 74.7 Favored 'General case' 2 N--CA 1.563 5.199 0 C-N-CA 127.028 2.131 . . . . 0.0 114.084 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.32 -23.0 63.73 Favored 'General case' 1 C--N 1.445 4.74 0 C-N-CA 129.039 2.935 . . . . 0.0 114.39 175.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.62 -33.99 15.63 Favored 'General case' 1 C--N 1.461 5.449 0 C-N-CA 126.75 2.02 . . . . 0.0 113.164 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.81 -42.8 53.96 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.728 0 C-N-CA 127.512 2.325 . . . . 0.0 111.549 177.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.87 -19.12 65.77 Favored 'General case' 1 N--CA 1.571 5.605 0 C-N-CA 128.931 2.892 . . . . 0.0 115.069 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.67 60.4 Favored 'General case' 1 C--N 1.435 4.298 0 C-N-CA 127.789 2.436 . . . . 0.0 112.356 168.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -91.42 -34.89 14.67 Favored 'General case' 2 C--N 1.458 5.317 0 C-N-CA 127.285 2.234 . . . . 0.0 113.261 176.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -78.76 -24.89 44.46 Favored 'General case' 1 C--N 1.431 4.141 0 C-N-CA 127.805 2.442 . . . . 0.0 113.294 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.358 11.1 pt-20 -70.09 -43.0 71.98 Favored 'General case' 2 N--CA 1.575 5.794 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 174.132 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.48 ' HB3' HG23 ' A' ' 88' ' ' VAL . . . -63.01 -23.12 67.3 Favored 'General case' 1 C--N 1.454 5.13 0 C-N-CA 126.051 1.74 . . . . 0.0 114.898 -176.519 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.03 -34.31 1.7 Allowed Glycine 1 C--N 1.423 5.416 0 N-CA-C 121.788 3.475 . . . . 0.0 121.788 170.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -156.67 -30.83 0.09 Allowed 'General case' 0 N--CA 1.535 3.81 0 C-N-CA 127.473 2.309 . . . . 0.0 111.886 -169.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.276 30.3 mm -130.88 99.91 4.42 Favored 'Isoleucine or valine' 2 C--N 1.44 4.516 0 C-N-CA 125.781 1.632 . . . . 0.0 108.236 -173.983 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 84' ' ' ALA 0.313 0.8 OUTLIER -107.0 126.54 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.353 0 O-C-N 125.941 2.026 . . . . 0.0 114.123 -177.23 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.398 37.9 ptt180 -115.51 99.65 7.51 Favored 'General case' 1 N--CA 1.557 4.922 0 C-N-CA 125.997 1.719 . . . . 0.0 115.134 -176.797 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.59 141.01 31.96 Favored 'General case' 0 N--CA 1.529 3.49 0 C-N-CA 128.044 2.538 . . . . 0.0 113.588 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -120.96 113.0 19.47 Favored 'General case' 0 C--O 1.298 3.612 0 C-N-CA 126.81 2.044 . . . . 0.0 111.142 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 33.1 m -107.32 159.36 6.95 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.27 0 O-C-N 126.684 2.49 . . . . 0.0 115.131 -174.546 . . . . . . . . 3 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.36 0.0 OUTLIER -124.67 119.21 28.34 Favored 'General case' 2 N--CA 1.562 5.154 0 C-N-CA 127.1 2.16 . . . . 0.0 114.748 -176.498 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 . . . . . 0 N--CA 1.538 3.938 0 C-N-CA 128.477 2.711 . . . . 0.0 110.926 179.074 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.551 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 72.4 m . . . . . 2 CA--C 1.642 4.489 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 1.538 ' CA ' ' CB ' ' B' ' 9' ' ' VAL 0.262 3.2 t . . . . . 2 C--N 1.449 4.926 0 C-N-CA 126.492 1.917 . . . . 0.0 108.611 -174.767 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.07 -0.11 29.1 Favored 'General case' 1 N--CA 1.558 4.947 0 C-N-CA 126.326 1.851 . . . . 0.0 115.607 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 50.6 mtt -97.32 116.68 29.97 Favored 'General case' 1 N--CA 1.542 4.166 0 C-N-CA 126.764 2.026 . . . . 0.0 114.09 -176.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -103.75 165.83 10.8 Favored 'General case' 1 N--CA 1.543 4.222 0 CA-C-N 112.566 -2.107 . . . . 0.0 113.525 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.287 18.3 ptt? -107.27 158.0 17.47 Favored 'General case' 0 CA--C 1.627 3.919 0 C-N-CA 128.645 2.778 . . . . 0.0 115.047 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.303 10.8 pt-20 -129.83 121.95 27.75 Favored 'General case' 1 N--CA 1.55 4.567 0 C-N-CA 128.875 2.87 . . . . 0.0 111.923 -178.041 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -100.08 143.64 30.05 Favored 'General case' 1 N--CA 1.552 4.65 0 C-N-CA 126.085 1.754 . . . . 0.0 113.539 -174.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -129.39 131.42 46.81 Favored 'General case' 2 C--N 1.439 4.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.46 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.296 11.4 pt-20 -104.93 111.59 24.41 Favored 'General case' 0 C--N 1.423 3.761 0 C-N-CA 126.496 1.918 . . . . 0.0 112.465 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -113.63 142.1 27.31 Favored 'Isoleucine or valine' 2 N--CA 1.549 4.478 0 C-N-CA 125.552 1.541 . . . . 0.0 108.756 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 m -117.14 120.96 39.91 Favored 'General case' 0 N--CA 1.536 3.837 0 C-N-CA 125.9 1.68 . . . . 0.0 108.836 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.93 148.22 37.2 Favored 'General case' 0 N--CA 1.522 3.146 0 C-N-CA 127.475 2.31 . . . . 0.0 113.758 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -101.85 128.36 48.26 Favored 'General case' 0 N--CA 1.536 3.832 0 C-N-CA 126.771 2.029 . . . . 0.0 107.661 170.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -56.97 111.11 0.94 Allowed 'General case' 2 N--CA 1.56 5.073 0 C-N-CA 128.137 2.575 . . . . 0.0 112.866 -174.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.53 153.6 49.1 Favored Glycine 2 N--CA 1.551 6.346 0 N-CA-C 118.685 2.234 . . . . 0.0 118.685 -173.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -74.96 -30.32 61.17 Favored 'General case' 1 N--CA 1.574 5.758 0 C-N-CA 127.501 2.32 . . . . 0.0 114.228 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -94.39 -20.37 19.79 Favored 'General case' 1 C--N 1.434 4.243 0 C-N-CA 127.404 2.282 . . . . 0.0 113.07 173.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.47 59.1 0.43 Allowed Glycine 1 C--N 1.455 7.14 0 C-N-CA 125.967 1.746 . . . . 0.0 112.574 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.55 4.3 mm? 68.78 -47.4 0.56 Allowed 'General case' 2 C--N 1.448 4.852 0 N-CA-C 119.939 3.311 . . . . 0.0 119.939 -178.859 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.61 31.01 3.84 Favored Glycine 2 N--CA 1.524 4.56 0 C-N-CA 125.209 1.385 . . . . 0.0 116.058 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -156.22 172.41 18.5 Favored 'General case' 2 C--N 1.434 4.253 0 C-N-CA 128.985 2.914 . . . . 0.0 109.124 176.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 73.7 m -138.86 144.51 39.25 Favored 'General case' 1 C--N 1.445 4.749 0 C-N-CA 125.076 1.35 . . . . 0.0 110.883 168.158 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.605 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.631 2.0 pp -115.47 127.35 73.08 Favored 'Isoleucine or valine' 2 N--CA 1.553 4.723 0 N-CA-C 119.92 3.304 . . . . 0.0 119.92 -175.15 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.542 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -105.34 117.52 34.22 Favored 'General case' 1 C--N 1.448 4.89 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.12 -178.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.84 161.16 26.6 Favored Glycine 0 N--CA 1.512 3.719 0 O-C-N 124.552 1.157 . . . . 0.0 114.699 -174.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.29 162.27 26.29 Favored Glycine 0 C--N 1.397 3.918 0 N-CA-C 117.042 1.577 . . . . 0.0 117.042 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.3 p -104.62 -38.35 6.77 Favored 'General case' 1 N--CA 1.556 4.868 0 C-N-CA 127.098 2.159 . . . . 0.0 111.902 164.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.09 -30.34 9.33 Favored 'General case' 1 C--N 1.436 4.328 0 C-N-CA 126.568 1.947 . . . . 0.0 113.183 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -100.09 106.3 40.69 Favored Pre-proline 2 CA--C 1.661 5.231 0 C-N-CA 127.011 2.124 . . . . 0.0 113.101 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.629 ' HB3' ' H ' ' A' ' 34' ' ' ASP . 33.0 Cg_exo -68.64 169.88 16.42 Favored 'Trans proline' 3 C--N 1.546 10.967 0 C-N-CA 124.702 3.602 . . . . 0.0 117.743 177.201 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -119.22 -45.98 2.53 Favored 'General case' 2 C--N 1.443 4.65 0 C-N-CA 127.047 2.139 . . . . 0.0 111.902 167.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.299 3.8 tp -115.45 -31.29 1.96 Allowed 'Isoleucine or valine' 1 CA--C 1.648 4.738 0 C-N-CA 127.975 2.51 . . . . 0.0 112.219 -170.286 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.68 71.96 0.02 OUTLIER Glycine 0 C--N 1.391 3.615 0 C-N-CA 127.69 2.567 . . . . 0.0 113.289 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.629 ' H ' ' HB3' ' A' ' 30' ' ' PRO 0.496 8.3 m-20 73.91 80.54 0.12 Allowed 'General case' 2 N--CA 1.55 4.527 0 C-N-CA 131.111 3.765 . . . . 0.0 114.702 179.967 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -87.39 131.38 44.3 Favored Pre-proline 1 CA--C 1.644 4.582 0 C-N-CA 128.561 2.744 . . . . 0.0 115.952 -177.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -83.39 -39.98 0.12 Allowed 'Trans proline' 3 C--N 1.549 11.091 0 C-N-CA 123.358 2.705 . . . . 0.0 117.306 168.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 p -100.31 155.94 17.51 Favored 'General case' 2 C--N 1.447 4.839 0 C-N-CA 127.403 2.281 . . . . 0.0 114.491 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.273 1.0 OUTLIER -96.34 119.27 44.18 Favored 'Isoleucine or valine' 3 C--N 1.451 5.013 0 C-N-CA 125.797 1.639 . . . . 0.0 109.611 -178.276 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -121.25 147.13 46.06 Favored 'General case' 1 N--CA 1.542 4.142 0 C-N-CA 129.585 3.154 . . . . 0.0 112.079 -170.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.59 139.64 17.05 Favored 'Isoleucine or valine' 2 C--N 1.45 4.977 0 C-N-CA 125.873 1.669 . . . . 0.0 110.349 176.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.384 13.8 p -145.81 -24.95 0.46 Allowed 'General case' 1 N--CA 1.556 4.86 0 C-N-CA 127.239 2.216 . . . . 0.0 114.239 -179.598 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.1 tmtm? -121.38 125.63 47.43 Favored 'General case' 1 C--N 1.472 5.907 0 CA-C-N 118.439 0.563 . . . . 0.0 111.043 177.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.636 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 43.2 mm -123.92 129.62 74.24 Favored 'Isoleucine or valine' 0 C--N 1.415 3.431 0 C-N-CA 126.867 2.067 . . . . 0.0 108.647 173.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.291 3.2 mp -83.86 131.02 52.98 Favored Pre-proline 2 CA--C 1.678 5.903 0 C-N-CA 126.391 1.877 . . . . 0.0 110.517 172.62 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.96 -21.44 63.83 Favored 'Trans proline' 3 C--N 1.538 10.503 0 C-N-CA 124.168 3.245 . . . . 0.0 117.649 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.58 38.7 1.95 Allowed Glycine 1 C--N 1.429 5.723 0 CA-C-O 117.911 -1.494 . . . . 0.0 116.397 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.53 -178.12 38.37 Favored Glycine 2 C--N 1.444 6.536 0 C-N-CA 124.937 1.256 . . . . 0.0 115.898 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.01 -37.63 28.85 Favored 'General case' 0 N--CA 1.539 3.977 0 C-N-CA 128.472 2.709 . . . . 0.0 115.778 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.42 -23.61 37.43 Favored 'General case' 2 N--CA 1.56 5.037 0 C-N-CA 126.755 2.022 . . . . 0.0 116.069 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.04 -42.89 16.94 Favored 'General case' 1 C--N 1.447 4.825 0 C-N-CA 127.403 2.281 . . . . 0.0 113.242 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -91.24 -57.24 2.86 Favored 'General case' 1 C--N 1.451 4.987 0 C-N-CA 127.309 2.244 . . . . 0.0 115.215 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.71 -33.15 15.88 Favored 'General case' 2 C--N 1.46 5.37 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 -172.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.52 -50.8 3.88 Favored Glycine 2 C--N 1.438 6.225 0 N-CA-C 117.308 1.683 . . . . 0.0 117.308 -173.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.593 99.3 mtt180 91.61 53.0 0.0 OUTLIER 'General case' 2 N--CA 1.574 5.725 0 C-N-CA 130.707 3.603 . . . . 0.0 116.745 -179.31 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.25 129.19 56.05 Favored 'General case' 0 C--N 1.415 3.454 0 C-N-CA 127.712 2.405 . . . . 0.0 111.21 170.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -111.1 154.39 24.34 Favored 'General case' 0 N--CA 1.525 3.321 0 C-N-CA 127.513 2.325 . . . . 0.0 110.794 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.52 -28.87 16.3 Favored 'Isoleucine or valine' 2 N--CA 1.569 5.478 0 C-N-CA 129.476 3.11 . . . . 0.0 115.983 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.283 9.7 p30 -91.13 8.62 34.71 Favored 'General case' 1 CA--C 1.656 5.054 0 C-N-CA 128.613 2.765 . . . . 0.0 113.798 178.612 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 2.0 m-20 -87.64 -31.87 19.55 Favored 'General case' 2 C--N 1.487 6.583 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -179.213 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m 46.84 121.02 0.0 OUTLIER 'General case' 2 N--CA 1.599 6.982 0 C-N-CA 129.098 2.959 . . . . 0.0 116.289 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.481 HG21 HG13 ' A' ' 64' ' ' VAL 0.278 35.1 mt -85.95 131.34 34.72 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.949 0 C-N-CA 124.371 1.068 . . . . 0.0 111.159 -175.441 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.272 1.6 pt? -98.67 -46.91 5.53 Favored 'General case' 0 C--N 1.425 3.871 0 O-C-N 124.975 1.422 . . . . 0.0 112.018 167.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -131.26 134.95 46.92 Favored 'General case' 1 C--N 1.447 4.81 0 O-C-N 125.143 1.527 . . . . 0.0 112.7 -176.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.481 HG13 HG21 ' A' ' 61' ' ' ILE 0.434 0.4 OUTLIER -121.62 141.59 41.43 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.12 0 C-N-CA 124.735 1.214 . . . . 0.0 110.987 172.347 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 73.87 -5.3 2.06 Favored 'General case' 2 N--CA 1.606 7.37 0 C-N-CA 127.679 2.391 . . . . 0.0 114.975 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.556 12.7 pt-20 82.48 12.61 0.54 Allowed 'General case' 3 N--CA 1.578 5.958 1 C-N-CA 131.775 4.03 . . . . 0.0 112.043 -156.914 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 64' ' ' VAL 0.276 0.3 OUTLIER -98.43 150.38 4.9 Favored 'Isoleucine or valine' 1 C--N 1.451 4.991 0 C-N-CA 129.593 3.157 . . . . 0.0 111.214 -177.941 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.375 4.3 p-10 -84.61 96.26 9.13 Favored 'General case' 0 C--N 1.407 3.069 0 C-N-CA 127.923 2.489 . . . . 0.0 114.108 -173.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.498 HG22 HG21 ' A' ' 72' ' ' VAL 0.348 0.6 OUTLIER -99.65 -2.59 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.691 0 CA-C-N 111.33 -2.668 . . . . 0.0 113.215 179.292 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -58.0 -21.12 43.26 Favored 'General case' 2 N--CA 1.578 5.949 0 C-N-CA 127.691 2.396 . . . . 0.0 115.609 175.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -155.85 81.41 1.01 Allowed 'General case' 1 C--N 1.457 5.261 0 C-N-CA 129.131 2.972 . . . . 0.0 109.503 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.498 HG21 HG22 ' A' ' 69' ' ' VAL . 35.5 m -146.46 163.35 9.29 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.432 0 C-N-CA 127.982 2.513 . . . . 0.0 109.94 178.709 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 p -76.11 161.94 28.43 Favored 'General case' 1 N--CA 1.563 5.221 0 C-N-CA 125.897 1.679 . . . . 0.0 111.97 164.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -46.22 -56.73 5.31 Favored 'General case' 4 N--CA 1.583 6.217 0 C-N-CA 128.855 2.862 . . . . 0.0 112.287 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.7 p -58.58 -34.76 71.45 Favored 'General case' 2 C--N 1.455 5.181 0 C-N-CA 127.23 2.212 . . . . 0.0 114.382 176.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.47 -23.73 61.09 Favored 'General case' 1 C--N 1.444 4.715 0 C-N-CA 128.807 2.843 . . . . 0.0 114.401 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.81 -29.24 17.69 Favored 'General case' 1 C--N 1.467 5.706 0 C-N-CA 125.949 1.7 . . . . 0.0 113.195 172.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.4 t -73.19 -39.97 57.11 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.762 0 C-N-CA 127.043 2.137 . . . . 0.0 111.199 172.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 7.9 mm-40 -67.69 -16.03 63.94 Favored 'General case' 1 N--CA 1.597 6.88 0 C-N-CA 128.464 2.706 . . . . 0.0 115.512 177.576 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.56 -29.37 52.14 Favored 'General case' 0 CA--C 1.625 3.859 0 C-N-CA 126.629 1.972 . . . . 0.0 111.373 165.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.548 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.269 11.7 mt -92.78 -33.95 14.08 Favored 'General case' 1 C--N 1.459 5.368 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -178.489 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -87.2 -36.47 17.98 Favored 'General case' 1 N--CA 1.54 4.063 0 C-N-CA 127.751 2.421 . . . . 0.0 114.244 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.274 37.3 mt-10 -85.16 -22.42 28.8 Favored 'General case' 2 N--CA 1.588 6.473 0 N-CA-C 119.197 3.036 . . . . 0.0 119.197 -178.045 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -22.18 62.08 Favored 'General case' 3 N--CA 1.583 6.216 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.79 -34.99 5.05 Favored Glycine 1 C--N 1.427 5.628 0 N-CA-C 120.488 2.955 . . . . 0.0 120.488 164.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 t -167.17 -30.39 0.02 OUTLIER 'General case' 1 N--CA 1.555 4.777 0 C-N-CA 127.965 2.506 . . . . 0.0 111.218 -173.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.267 28.4 mm -125.64 122.54 62.59 Favored 'Isoleucine or valine' 1 C--N 1.439 4.469 0 C-N-CA 125.375 1.47 . . . . 0.0 109.812 -177.92 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.391 21.9 m -124.26 118.15 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.916 0 C-N-CA 127.155 2.182 . . . . 0.0 112.176 176.686 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.419 37.9 ptt180 -110.39 100.06 8.97 Favored 'General case' 1 N--CA 1.561 5.112 0 C-N-CA 125.941 1.696 . . . . 0.0 115.005 -175.22 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -96.59 139.27 32.93 Favored 'General case' 0 N--CA 1.533 3.682 0 C-N-CA 128.012 2.525 . . . . 0.0 115.081 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -119.78 112.8 19.71 Favored 'General case' 1 C--O 1.324 5.021 0 C-N-CA 127.051 2.14 . . . . 0.0 111.14 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.263 32.4 m -106.4 158.0 6.66 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.109 0 O-C-N 127.08 2.737 . . . . 0.0 114.91 -176.903 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.29 25.8 ptt? -128.03 115.96 19.28 Favored 'General case' 1 N--CA 1.563 5.216 0 C-N-CA 128.094 2.558 . . . . 0.0 114.09 -176.04 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.343 38.4 ptt180 -137.79 143.44 41.08 Favored 'General case' 1 N--CA 1.554 4.743 0 C-N-CA 126.357 1.863 . . . . 0.0 113.247 179.613 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -77.91 143.28 37.84 Favored 'General case' 1 N--CA 1.561 5.112 0 C-N-CA 127.433 2.293 . . . . 0.0 114.91 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -66.14 123.63 85.74 Favored Pre-proline 2 N--CA 1.569 5.485 0 C-N-CA 128.396 2.678 . . . . 0.0 115.99 -174.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -75.08 152.65 40.65 Favored 'Trans proline' 3 C--N 1.551 11.233 0 C-N-CA 123.768 2.979 . . . . 0.0 116.308 174.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -67.54 -31.72 33.0 Favored 'Trans proline' 3 C--N 1.55 11.177 0 C-N-CA 123.912 3.074 . . . . 0.0 117.768 177.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.449 4.9 0 C-N-CA 126.448 1.899 . . . . 0.0 112.889 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.39 10.6 m . . . . . 0 N--CA 1.533 3.679 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.559 18.2 m 63.61 -37.46 0.04 OUTLIER 'Isoleucine or valine' 2 N--CA 1.602 7.162 0 C-N-CA 128.296 2.638 . . . . 0.0 117.585 -178.792 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -166.44 105.76 0.64 Allowed 'General case' 2 N--CA 1.545 4.315 0 C-N-CA 131.201 3.8 . . . . 0.0 106.464 -176.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -131.55 -75.61 0.52 Allowed 'General case' 2 C--N 1.441 4.565 0 C-N-CA 124.55 1.14 . . . . 0.0 113.3 -174.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.397 99.7 mtt180 75.95 -56.11 0.59 Allowed 'General case' 2 N--CA 1.587 6.398 0 C-N-CA 129.384 3.074 . . . . 0.0 113.352 -167.478 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 1.597 ' CA ' ' CB ' ' B' ' 6' ' ' ILE 0.716 7.5 tp 58.04 -48.05 0.08 OUTLIER 'Isoleucine or valine' 2 N--CA 1.584 6.23 0 C-N-CA 130.62 3.568 . . . . 0.0 119.123 177.648 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.268 69.3 m -49.91 82.96 0.0 OUTLIER 'General case' 2 N--CA 1.589 6.518 0 C-N-CA 127.812 2.445 . . . . 0.0 115.956 -176.29 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.605 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 69.0 m -131.69 -163.07 1.29 Allowed 'General case' 0 CA--C 1.629 3.988 0 C-N-CA 128.905 2.882 . . . . 0.0 111.439 -172.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.25 3.4 t . . . . . 1 C--N 1.435 4.325 0 C-N-CA 127.157 2.183 . . . . 0.0 109.364 -177.11 . . . . . . . . 2 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.538 0 CA-C-O 119.409 -0.662 . . . . 0.0 112.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.42 132.68 53.97 Favored 'General case' 0 C--N 1.426 3.913 0 C-N-CA 126.597 1.959 . . . . 0.0 112.692 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.9 ttt -100.36 110.48 22.7 Favored 'General case' 2 C--N 1.44 4.533 0 C-N-CA 126.556 1.942 . . . . 0.0 110.685 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.342 10.8 pt-20 -117.69 173.65 6.62 Favored 'General case' 1 N--CA 1.542 4.143 0 C-N-CA 127.237 2.215 . . . . 0.0 114.341 177.884 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.271 25.0 ptm -106.78 161.88 14.28 Favored 'General case' 1 CA--C 1.633 4.144 0 C-N-CA 127.923 2.489 . . . . 0.0 112.959 175.805 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.339 10.6 pt-20 -124.53 122.14 36.75 Favored 'General case' 1 N--CA 1.549 4.477 0 C-N-CA 126.665 1.986 . . . . 0.0 113.23 -175.391 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -104.66 145.15 30.75 Favored 'General case' 1 N--CA 1.545 4.313 0 C-N-CA 126.2 1.8 . . . . 0.0 113.358 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -123.47 131.99 53.8 Favored 'General case' 2 N--CA 1.549 4.521 0 C-N-CA 125.6 1.56 . . . . 0.0 114.007 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.299 12.0 pt-20 -108.75 109.04 20.09 Favored 'General case' 0 C--N 1.427 3.952 0 C-N-CA 125.738 1.615 . . . . 0.0 111.874 173.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -114.57 142.42 27.39 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.026 0 O-C-N 124.755 1.284 . . . . 0.0 110.84 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.253 0.8 OUTLIER -113.62 125.93 54.71 Favored 'General case' 2 N--CA 1.55 4.557 0 C-N-CA 127.084 2.153 . . . . 0.0 114.061 173.521 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -124.46 149.45 46.8 Favored 'General case' 0 N--CA 1.534 3.738 0 C-N-CA 127.362 2.265 . . . . 0.0 113.433 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -98.12 126.47 43.58 Favored 'General case' 2 N--CA 1.557 4.903 0 C-N-CA 126.976 2.111 . . . . 0.0 108.777 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -89.33 133.26 34.56 Favored 'General case' 0 N--CA 1.534 3.747 0 C-N-CA 127.477 2.311 . . . . 0.0 113.135 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.33 76.6 Favored Glycine 2 N--CA 1.549 6.186 0 N-CA-C 119.569 2.588 . . . . 0.0 119.569 170.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -90.08 -37.88 13.95 Favored 'General case' 1 N--CA 1.558 4.952 0 C-N-CA 126.307 1.843 . . . . 0.0 112.461 175.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 t -119.46 -21.84 7.25 Favored 'General case' 2 C--N 1.443 4.642 0 C-N-CA 127.027 2.131 . . . . 0.0 111.589 172.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.69 4.46 28.2 Favored Glycine 1 C--N 1.459 7.408 0 C-N-CA 125.598 1.57 . . . . 0.0 113.735 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.44 83.9 mt 61.6 120.98 0.01 OUTLIER 'General case' 2 C--N 1.473 5.944 0 C-N-CA 130.263 3.425 . . . . 0.0 115.387 -177.279 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.66 55.35 1.67 Allowed Glycine 1 C--N 1.419 5.189 0 C-N-CA 126.709 2.1 . . . . 0.0 118.163 -165.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -161.56 168.86 22.8 Favored 'General case' 3 N--CA 1.543 4.218 0 C-N-CA 128.576 2.75 . . . . 0.0 109.329 169.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.3 m -134.93 144.77 47.65 Favored 'General case' 1 C--N 1.448 4.857 0 C-N-CA 125.463 1.505 . . . . 0.0 110.809 169.409 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.482 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.572 2.2 pp -120.99 129.9 75.23 Favored 'Isoleucine or valine' 2 N--CA 1.576 5.855 0 N-CA-C 120.283 3.438 . . . . 0.0 120.283 -174.083 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.11 119.1 38.25 Favored 'General case' 1 C--N 1.445 4.722 0 CA-C-N 113.492 -1.686 . . . . 0.0 111.856 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.42 162.42 30.65 Favored Glycine 0 C--N 1.394 3.792 0 O-C-N 124.922 1.389 . . . . 0.0 114.734 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.65 132.14 1.55 Allowed Glycine 1 C--N 1.413 4.829 0 N-CA-C 119.094 2.398 . . . . 0.0 119.094 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.315 7.9 p -97.58 -33.58 11.29 Favored 'General case' 1 N--CA 1.561 5.076 0 C-N-CA 125.005 1.322 . . . . 0.0 113.247 161.0 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.43 2.2 p30 -113.01 -29.03 7.48 Favored 'General case' 1 C--N 1.445 4.753 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 174.137 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -100.52 113.66 65.57 Favored Pre-proline 2 CA--C 1.649 4.762 0 C-N-CA 126.587 1.955 . . . . 0.0 113.239 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -62.72 156.72 51.5 Favored 'Trans proline' 3 C--N 1.553 11.305 0 C-N-CA 124.303 3.335 . . . . 0.0 117.971 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -111.91 -46.0 3.27 Favored 'General case' 0 C--N 1.422 3.743 0 C-N-CA 128.008 2.523 . . . . 0.0 113.01 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.401 2.6 pp -133.48 -54.57 0.68 Allowed 'Isoleucine or valine' 2 N--CA 1.576 5.842 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -165.83 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.32 40.16 0.31 Allowed Glycine 0 C--N 1.377 2.822 0 C-N-CA 128.088 2.756 . . . . 0.0 111.991 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.41 5.3 m-20 82.6 72.52 0.02 OUTLIER 'General case' 2 N--CA 1.563 5.215 0 C-N-CA 130.885 3.674 . . . . 0.0 112.113 -177.832 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -93.13 122.33 63.63 Favored Pre-proline 1 CA--C 1.671 5.614 0 CA-C-N 112.376 -2.193 . . . . 0.0 114.183 -176.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -75.68 -26.57 9.74 Favored 'Trans proline' 3 C--N 1.553 11.308 0 C-N-CA 124.138 3.225 . . . . 0.0 117.739 174.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.2 m -91.28 150.98 21.09 Favored 'General case' 2 N--CA 1.554 4.731 0 C-N-CA 127.195 2.198 . . . . 0.0 113.812 -177.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.269 0.8 OUTLIER -97.36 120.92 47.31 Favored 'Isoleucine or valine' 3 C--N 1.443 4.661 0 C-N-CA 125.465 1.506 . . . . 0.0 109.696 -178.042 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -125.63 158.85 33.66 Favored 'General case' 3 N--CA 1.547 4.387 0 C-N-CA 127.456 2.302 . . . . 0.0 111.746 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -88.55 142.84 12.34 Favored 'Isoleucine or valine' 1 C--N 1.46 5.4 0 C-N-CA 126.139 1.776 . . . . 0.0 109.449 172.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.304 2.9 p -145.29 -26.5 0.47 Allowed 'General case' 1 N--CA 1.559 5.005 0 C-N-CA 127.554 2.342 . . . . 0.0 113.771 -177.261 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.9 tmtm? -126.33 129.73 49.42 Favored 'General case' 1 C--N 1.468 5.732 0 C-N-CA 123.538 0.735 . . . . 0.0 110.833 178.304 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.627 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 43.7 mm -124.91 131.21 72.89 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.313 0 C-N-CA 127.142 2.177 . . . . 0.0 108.805 174.53 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.297 3.7 mp -82.13 131.26 56.96 Favored Pre-proline 2 CA--C 1.678 5.898 0 C-N-CA 125.993 1.717 . . . . 0.0 110.775 171.812 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.94 -22.66 55.43 Favored 'Trans proline' 3 C--N 1.536 10.431 0 C-N-CA 124.228 3.285 . . . . 0.0 117.451 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.7 43.45 1.29 Allowed Glycine 1 C--N 1.429 5.696 0 O-C-N 124.795 1.309 . . . . 0.0 115.625 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.65 -177.84 32.43 Favored Glycine 2 C--N 1.437 6.189 0 C-N-CA 125.514 1.531 . . . . 0.0 115.284 174.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.72 -35.74 33.06 Favored 'General case' 1 N--CA 1.54 4.074 0 C-N-CA 127.711 2.404 . . . . 0.0 115.718 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.05 -25.83 36.8 Favored 'General case' 2 C--N 1.445 4.753 0 C-N-CA 126.792 2.037 . . . . 0.0 116.144 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.39 -42.35 15.79 Favored 'General case' 1 C--N 1.446 4.796 0 C-N-CA 127.272 2.229 . . . . 0.0 113.527 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -90.91 -57.11 2.92 Favored 'General case' 1 C--N 1.449 4.931 0 C-N-CA 127.286 2.234 . . . . 0.0 114.924 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.8 -33.73 15.59 Favored 'General case' 1 C--N 1.46 5.388 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 -173.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.7 -47.46 5.35 Favored Glycine 2 C--N 1.443 6.513 0 N-CA-C 117.343 1.697 . . . . 0.0 117.343 -174.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.56 99.0 mtt180 88.44 52.62 0.01 OUTLIER 'General case' 2 N--CA 1.576 5.873 0 C-N-CA 130.534 3.534 . . . . 0.0 116.218 -178.558 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.09 131.45 55.07 Favored 'General case' 0 C--N 1.417 3.514 0 C-N-CA 127.927 2.491 . . . . 0.0 111.528 171.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.35 156.12 22.05 Favored 'General case' 0 N--CA 1.529 3.518 0 C-N-CA 127.786 2.434 . . . . 0.0 110.463 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 p -57.04 -28.2 28.68 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.083 0 C-N-CA 128.775 2.83 . . . . 0.0 115.583 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -91.88 9.98 30.66 Favored 'General case' 1 CA--C 1.674 5.717 0 C-N-CA 128.889 2.875 . . . . 0.0 112.321 177.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.39 -34.0 18.92 Favored 'General case' 2 C--N 1.487 6.551 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.25 69.5 m 44.83 120.06 0.0 OUTLIER 'General case' 2 N--CA 1.588 6.43 0 C-N-CA 129.41 3.084 . . . . 0.0 116.878 176.387 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mt -84.98 126.46 40.31 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.973 0 C-N-CA 124.666 1.186 . . . . 0.0 110.106 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.26 1.2 pt? -91.38 -46.17 8.17 Favored 'General case' 1 C--N 1.43 4.071 0 C-N-CA 125.443 1.497 . . . . 0.0 111.837 170.691 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -129.08 128.38 43.41 Favored 'General case' 1 C--N 1.449 4.925 0 O-C-N 125.164 1.54 . . . . 0.0 113.257 -177.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.489 HG23 HG11 ' A' ' 69' ' ' VAL 0.253 3.5 t -116.07 130.51 70.67 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.086 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 -179.932 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 72.27 -1.38 2.93 Favored 'General case' 2 N--CA 1.612 7.658 0 C-N-CA 129.306 3.042 . . . . 0.0 114.902 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.396 12.0 mm-40 87.85 7.3 0.2 Allowed 'General case' 3 N--CA 1.579 6.019 0 C-N-CA 130.584 3.554 . . . . 0.0 111.717 -160.236 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.412 27.0 m -94.12 155.6 3.19 Favored 'Isoleucine or valine' 1 C--N 1.469 5.792 0 C-N-CA 127.048 2.139 . . . . 0.0 113.619 178.651 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.268 13.5 t70 -86.02 102.55 13.9 Favored 'General case' 0 C--N 1.42 3.647 0 C-N-CA 127.119 2.168 . . . . 0.0 112.013 -171.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.489 HG11 HG23 ' A' ' 64' ' ' VAL 0.315 1.0 OUTLIER -102.93 -16.75 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.438 0 CA-C-N 110.006 -3.27 . . . . 0.0 114.093 -177.94 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.338 38.7 ptt180 -52.53 -20.04 2.68 Favored 'General case' 2 N--CA 1.578 5.938 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 -179.155 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -149.28 76.85 1.34 Allowed 'General case' 1 C--N 1.436 4.365 0 C-N-CA 129.18 2.992 . . . . 0.0 109.492 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 27.9 m -143.97 167.06 12.75 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.253 0 C-N-CA 127.354 2.262 . . . . 0.0 110.272 177.772 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -79.37 162.76 25.35 Favored 'General case' 1 N--CA 1.562 5.144 0 C-N-CA 126.429 1.892 . . . . 0.0 111.522 166.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.286 56.2 p-80 -51.12 -54.18 27.56 Favored 'General case' 2 N--CA 1.6 7.038 0 C-N-CA 125.393 1.477 . . . . 0.0 114.327 176.839 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 t -61.37 -31.83 71.73 Favored 'General case' 3 N--CA 1.555 4.816 0 C-N-CA 127.232 2.213 . . . . 0.0 113.06 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.88 -23.17 60.69 Favored 'General case' 1 C--N 1.452 5.063 0 C-N-CA 128.278 2.631 . . . . 0.0 113.936 175.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.76 -33.03 15.89 Favored 'General case' 1 C--N 1.465 5.595 0 C-N-CA 126.237 1.815 . . . . 0.0 112.775 173.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.87 -40.46 78.91 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.745 0 C-N-CA 127.777 2.431 . . . . 0.0 111.124 174.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.9 mt-10 -63.33 -20.83 65.84 Favored 'General case' 2 N--CA 1.599 6.994 0 C-N-CA 127.971 2.509 . . . . 0.0 114.986 176.435 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.29 -28.25 53.33 Favored 'General case' 1 CA--C 1.632 4.097 0 C-N-CA 127.213 2.205 . . . . 0.0 112.396 168.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.49 -34.01 14.26 Favored 'General case' 2 C--N 1.457 5.249 0 C-N-CA 126.568 1.947 . . . . 0.0 114.848 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -85.93 -40.23 16.11 Favored 'General case' 1 N--CA 1.541 4.098 0 C-N-CA 127.276 2.23 . . . . 0.0 114.047 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 40.8 mt-10 -91.01 -5.09 55.82 Favored 'General case' 2 N--CA 1.583 6.189 0 N-CA-C 118.757 2.873 . . . . 0.0 118.757 -177.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.563 ' HB3' HG22 ' A' ' 88' ' ' VAL . . . -58.82 -21.84 57.39 Favored 'General case' 3 N--CA 1.588 6.47 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 178.337 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.26 -35.18 4.58 Favored Glycine 1 C--N 1.428 5.668 0 C-N-CA 126.442 1.972 . . . . 0.0 117.802 167.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.6 p 176.17 -37.71 0.01 OUTLIER 'General case' 2 N--CA 1.567 5.397 0 C-N-CA 130.17 3.388 . . . . 0.0 112.391 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.266 31.5 mm -119.01 113.13 40.53 Favored 'Isoleucine or valine' 0 C--N 1.427 3.945 0 C-N-CA 127.325 2.25 . . . . 0.0 107.901 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 84' ' ' ALA . 94.8 t -113.66 138.13 44.43 Favored 'Isoleucine or valine' 1 CA--C 1.641 4.449 0 C-N-CA 128.512 2.725 . . . . 0.0 108.769 -174.166 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.362 0.0 OUTLIER -120.49 128.13 52.85 Favored 'General case' 1 N--CA 1.545 4.297 0 C-N-CA 126.899 2.08 . . . . 0.0 113.448 176.728 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -119.79 139.97 51.49 Favored 'General case' 0 N--CA 1.536 3.833 0 C-N-CA 127.688 2.395 . . . . 0.0 112.942 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -120.25 110.45 16.59 Favored 'General case' 0 C--O 1.299 3.692 0 C-N-CA 126.326 1.85 . . . . 0.0 111.178 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.258 27.2 m -106.01 160.83 5.64 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.714 0 O-C-N 126.632 2.457 . . . . 0.0 115.272 -175.362 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.284 18.5 ptp -119.92 125.84 49.43 Favored 'General case' 1 N--CA 1.57 5.54 0 C-N-CA 127.481 2.313 . . . . 0.0 114.889 -176.741 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -128.71 141.52 51.3 Favored 'General case' 1 N--CA 1.545 4.291 0 C-N-CA 127.746 2.418 . . . . 0.0 110.907 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -98.75 135.02 40.83 Favored 'General case' 0 CA--C 1.625 3.853 0 C-N-CA 127.302 2.241 . . . . 0.0 110.331 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -79.45 129.74 70.82 Favored Pre-proline 2 N--CA 1.564 5.244 0 C-N-CA 126.554 1.942 . . . . 0.0 114.692 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -72.53 149.09 49.07 Favored 'Trans proline' 3 C--N 1.553 11.292 0 C-N-CA 123.678 2.918 . . . . 0.0 116.371 176.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.83 -30.86 40.04 Favored 'Trans proline' 3 C--N 1.551 11.191 0 C-N-CA 123.953 3.102 . . . . 0.0 117.713 178.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.447 4.847 0 C-N-CA 126.541 1.936 . . . . 0.0 112.68 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.445 3.6 m . . . . . 1 N--CA 1.539 4.01 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 . . . . . . . . . 2 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.572 3.3 p 77.96 -42.31 0.09 OUTLIER 'Isoleucine or valine' 3 N--CA 1.567 5.393 0 C-N-CA 129.874 3.27 . . . . 0.0 115.095 -177.06 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . 0.261 14.4 t -128.4 -77.15 0.56 Allowed 'General case' 1 C--N 1.458 5.292 0 O-C-N 124.451 1.094 . . . . 0.0 111.903 -178.576 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.371 4.7 tt0 39.88 118.1 0.0 OUTLIER 'General case' 2 C--N 1.461 5.432 1 C-N-CA 132.043 4.137 . . . . 0.0 118.919 -179.87 . . . . . . . . 4 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -122.31 84.72 2.3 Favored 'General case' 0 C--O 1.292 3.302 0 CA-C-N 112.541 -2.118 . . . . 0.0 108.394 166.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.679 2.3 mm -93.16 63.74 0.36 Allowed 'Isoleucine or valine' 1 C--N 1.437 4.376 0 CA-C-O 123.74 1.733 . . . . 0.0 114.965 178.282 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 70.3 p -126.22 8.59 7.25 Favored 'General case' 2 N--CA 1.559 4.98 0 CA-C-N 110.027 -3.261 . . . . 0.0 113.446 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.482 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 62.4 m -79.12 -176.3 5.04 Favored 'General case' 3 N--CA 1.548 4.432 0 C-N-CA 128.441 2.696 . . . . 0.0 114.632 -175.007 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 2 C--N 1.446 4.776 0 C-N-CA 125.831 1.652 . . . . 0.0 107.803 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 CA-C-O 119.395 -0.67 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.18 125.96 52.76 Favored 'General case' 0 C--N 1.428 4.0 0 C-N-CA 126.417 1.887 . . . . 0.0 112.882 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.335 26.5 ptt? -108.74 15.69 23.42 Favored 'General case' 2 N--CA 1.565 5.32 0 C-N-CA 126.607 1.963 . . . . 0.0 115.095 179.393 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.96 175.2 7.52 Favored 'General case' 1 N--CA 1.55 4.544 0 C-N-CA 127.978 2.511 . . . . 0.0 113.536 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.277 21.5 ptp -106.04 159.82 15.77 Favored 'General case' 1 CA--C 1.63 4.054 0 C-N-CA 127.874 2.47 . . . . 0.0 114.622 -178.905 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.304 10.4 pt-20 -120.8 122.63 40.74 Favored 'General case' 1 N--CA 1.548 4.439 0 C-N-CA 128.498 2.719 . . . . 0.0 111.944 179.853 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.51 145.31 30.21 Favored 'General case' 1 N--CA 1.554 4.763 0 C-N-CA 125.966 1.706 . . . . 0.0 113.913 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -130.9 133.05 45.52 Favored 'General case' 2 C--N 1.444 4.699 0 C-N-CA 124.735 1.214 . . . . 0.0 111.615 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.291 11.5 pt-20 -106.46 112.86 26.05 Favored 'General case' 0 C--N 1.427 3.955 0 C-N-CA 126.378 1.871 . . . . 0.0 112.682 174.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -114.53 146.52 18.91 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.121 0 C-N-CA 125.346 1.458 . . . . 0.0 109.675 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.481 HG23 ' HB3' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -119.87 127.73 53.0 Favored 'General case' 2 N--CA 1.547 4.385 0 C-N-CA 126.291 1.837 . . . . 0.0 109.932 177.575 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.69 154.72 41.98 Favored 'General case' 1 N--CA 1.541 4.101 0 C-N-CA 127.997 2.519 . . . . 0.0 113.868 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -107.92 127.52 53.82 Favored 'General case' 2 N--CA 1.555 4.787 0 C-N-CA 126.828 2.051 . . . . 0.0 109.631 176.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.23 134.8 34.13 Favored 'General case' 0 N--CA 1.533 3.695 0 C-N-CA 128.468 2.707 . . . . 0.0 113.76 -174.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.28 -10.0 45.07 Favored Glycine 2 N--CA 1.549 6.211 0 N-CA-C 120.565 2.986 . . . . 0.0 120.565 167.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.334 30.5 p30 -74.57 -38.01 62.8 Favored 'General case' 2 N--CA 1.56 5.066 0 N-CA-C 115.926 1.825 . . . . 0.0 115.926 -179.147 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 t -117.75 -22.33 8.05 Favored 'General case' 2 C--N 1.434 4.281 0 C-N-CA 126.005 1.722 . . . . 0.0 112.611 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.49 14.26 13.2 Favored Glycine 1 C--N 1.455 7.194 0 C-N-CA 124.958 1.265 . . . . 0.0 113.297 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.766 33.1 mt 75.0 -43.83 0.53 Allowed 'General case' 1 C--N 1.451 5.011 0 C-N-CA 130.396 3.478 . . . . 0.0 119.856 -179.277 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.75 26.56 19.5 Favored Glycine 2 N--CA 1.537 5.38 0 N-CA-C 119.502 2.561 . . . . 0.0 119.502 168.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -156.45 172.66 18.13 Favored 'General case' 3 N--CA 1.548 4.472 0 C-N-CA 127.617 2.367 . . . . 0.0 109.92 176.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.508 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.2 m -137.5 142.99 41.48 Favored 'General case' 1 C--N 1.446 4.795 0 C-N-CA 125.491 1.516 . . . . 0.0 110.316 168.599 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.514 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.578 2.0 pp -119.28 131.79 70.95 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.396 0 N-CA-C 120.693 3.59 . . . . 0.0 120.693 -174.211 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.02 117.85 35.27 Favored 'General case' 1 C--N 1.446 4.787 0 CA-C-N 113.251 -1.795 . . . . 0.0 110.296 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.28 154.21 25.28 Favored Glycine 0 N--CA 1.515 3.949 0 C-N-CA 125.405 1.478 . . . . 0.0 113.61 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.3 142.61 4.37 Favored Glycine 1 C--N 1.411 4.703 0 N-CA-C 119.206 2.442 . . . . 0.0 119.206 -172.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 p -104.75 -41.22 5.72 Favored 'General case' 1 N--CA 1.553 4.71 0 C-N-CA 126.591 1.956 . . . . 0.0 112.476 163.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.99 -30.98 9.94 Favored 'General case' 1 C--N 1.434 4.254 0 C-N-CA 126.582 1.953 . . . . 0.0 113.308 177.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -100.09 113.68 65.36 Favored Pre-proline 2 CA--C 1.655 4.997 0 C-N-CA 127.077 2.151 . . . . 0.0 112.546 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -75.82 164.84 31.18 Favored 'Trans proline' 3 C--N 1.544 10.821 0 C-N-CA 123.823 3.015 . . . . 0.0 117.688 178.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -119.16 -51.07 2.34 Favored 'General case' 1 C--N 1.432 4.193 0 C-N-CA 126.843 2.057 . . . . 0.0 111.623 170.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.327 4.9 tp -113.99 7.98 7.76 Favored 'Isoleucine or valine' 1 CA--C 1.671 5.621 0 C-N-CA 126.487 1.915 . . . . 0.0 113.736 -171.114 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.63 -57.75 0.67 Allowed Glycine 1 C--N 1.401 4.16 0 C-N-CA 126.891 2.186 . . . . 0.0 112.289 -175.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -158.38 85.34 0.85 Allowed 'General case' 0 N--CA 1.539 3.982 0 C-N-CA 131.272 3.829 . . . . 0.0 108.275 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -97.04 114.59 64.93 Favored Pre-proline 2 CA--C 1.682 6.02 0 C-N-CA 126.088 1.755 . . . . 0.0 112.556 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -80.35 -32.76 1.19 Allowed 'Trans proline' 3 C--N 1.551 11.189 0 C-N-CA 123.953 3.102 . . . . 0.0 118.514 175.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.7 m -96.11 154.2 17.37 Favored 'General case' 2 N--CA 1.558 4.968 0 C-N-CA 127.024 2.13 . . . . 0.0 113.868 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.306 0.6 OUTLIER -93.04 113.87 28.75 Favored 'Isoleucine or valine' 3 C--N 1.455 5.195 0 C-N-CA 125.23 1.412 . . . . 0.0 109.694 -178.121 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -122.76 144.87 48.88 Favored 'General case' 0 C--O 1.303 3.909 0 C-N-CA 129.636 3.175 . . . . 0.0 111.848 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -87.55 141.15 14.72 Favored 'Isoleucine or valine' 2 C--N 1.445 4.718 0 C-N-CA 126.049 1.74 . . . . 0.0 110.196 176.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.311 5.7 p -144.79 -28.16 0.48 Allowed 'General case' 1 N--CA 1.553 4.693 0 C-N-CA 127.316 2.246 . . . . 0.0 114.14 -176.512 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 10.5 tmtt? -125.19 126.26 44.95 Favored 'General case' 1 C--N 1.471 5.864 0 O-C-N 123.652 0.595 . . . . 0.0 111.006 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.644 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.276 44.1 mm -123.5 128.68 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.259 0 C-N-CA 127.002 2.121 . . . . 0.0 108.438 175.083 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.303 3.2 mp -83.42 130.73 55.23 Favored Pre-proline 2 CA--C 1.681 6.003 0 C-N-CA 126.156 1.783 . . . . 0.0 110.924 174.597 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.81 -23.22 69.01 Favored 'Trans proline' 3 C--N 1.54 10.644 0 C-N-CA 124.439 3.426 . . . . 0.0 117.562 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.47 41.89 1.47 Allowed Glycine 1 C--N 1.43 5.76 0 CA-C-O 118.234 -1.315 . . . . 0.0 115.651 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.67 -177.49 33.9 Favored Glycine 2 C--N 1.439 6.258 0 C-N-CA 125.491 1.52 . . . . 0.0 115.587 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.67 -36.26 32.63 Favored 'General case' 1 N--CA 1.543 4.186 0 C-N-CA 127.726 2.411 . . . . 0.0 115.814 -177.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.28 -25.42 36.55 Favored 'General case' 2 C--N 1.442 4.602 0 C-N-CA 126.861 2.064 . . . . 0.0 116.146 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 -42.23 15.77 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 127.186 2.195 . . . . 0.0 113.537 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -90.94 -56.71 3.07 Favored 'General case' 2 C--N 1.448 4.883 0 C-N-CA 127.233 2.213 . . . . 0.0 115.005 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.79 -34.22 15.4 Favored 'General case' 1 C--N 1.459 5.338 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 -172.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.77 -52.41 3.15 Favored Glycine 2 C--N 1.443 6.475 0 N-CA-C 117.369 1.708 . . . . 0.0 117.369 -173.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.571 99.3 mtt180 92.73 55.2 0.0 OUTLIER 'General case' 2 N--CA 1.576 5.832 0 C-N-CA 130.796 3.638 . . . . 0.0 116.338 -178.476 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.01 131.34 55.13 Favored 'General case' 0 C--N 1.417 3.518 0 C-N-CA 127.919 2.488 . . . . 0.0 111.057 171.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -111.21 153.64 25.54 Favored 'General case' 0 N--CA 1.525 3.278 0 C-N-CA 127.482 2.313 . . . . 0.0 110.498 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -55.98 -28.31 24.45 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.005 0 C-N-CA 129.147 2.979 . . . . 0.0 115.929 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.94 9.94 30.93 Favored 'General case' 1 CA--C 1.671 5.601 0 C-N-CA 128.924 2.889 . . . . 0.0 112.194 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.272 1.6 m-20 -88.01 -32.28 18.89 Favored 'General case' 2 C--N 1.489 6.661 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -179.762 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 m 43.95 120.18 0.0 OUTLIER 'General case' 2 N--CA 1.599 6.98 0 C-N-CA 129.089 2.955 . . . . 0.0 116.733 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.575 HG21 HG23 ' A' ' 64' ' ' VAL . 8.3 mt -85.41 130.23 36.6 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.027 0 C-N-CA 124.709 1.203 . . . . 0.0 110.723 -174.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.258 1.5 pt? -96.11 -45.92 6.68 Favored 'General case' 1 C--N 1.431 4.144 0 O-C-N 125.134 1.521 . . . . 0.0 112.463 169.776 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -132.31 130.57 40.99 Favored 'General case' 1 C--N 1.45 4.959 0 O-C-N 125.081 1.488 . . . . 0.0 112.698 -175.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.575 HG23 HG21 ' A' ' 61' ' ' ILE 0.398 0.4 OUTLIER -120.52 140.97 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.639 0 O-C-N 123.795 0.685 . . . . 0.0 112.822 179.58 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.281 4.9 m-20 71.64 -75.56 0.07 Allowed 'General case' 1 N--CA 1.586 6.369 0 C-N-CA 127.949 2.5 . . . . 0.0 111.627 -175.935 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -159.0 7.89 0.11 Allowed 'General case' 2 CA--C 1.637 4.314 1 C-N-CA 133.259 4.624 . . . . 0.0 108.232 171.129 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.344 27.6 m -105.11 157.34 5.99 Favored 'Isoleucine or valine' 1 C--N 1.463 5.518 0 C-N-CA 126.668 1.987 . . . . 0.0 115.78 -165.104 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.371 4.3 p-10 -88.15 94.93 9.97 Favored 'General case' 0 C--N 1.417 3.515 0 C-N-CA 127.817 2.447 . . . . 0.0 113.121 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.452 21.7 m -87.62 -8.42 10.98 Favored 'Isoleucine or valine' 1 N--CA 1.562 5.139 0 CA-C-N 113.156 -1.838 . . . . 0.0 114.637 174.457 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -48.95 -26.86 2.73 Favored 'General case' 2 N--CA 1.594 6.757 0 C-N-CA 128.229 2.612 . . . . 0.0 116.177 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -148.14 78.96 1.45 Allowed 'General case' 1 C--N 1.448 4.887 0 C-N-CA 130.064 3.345 . . . . 0.0 109.523 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.589 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.275 19.2 m -141.2 165.32 19.33 Favored 'Isoleucine or valine' 1 N--CA 1.566 5.35 0 C-N-CA 126.543 1.937 . . . . 0.0 109.147 174.4 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 p -79.7 165.35 22.93 Favored 'General case' 1 N--CA 1.557 4.911 0 C-N-CA 127.808 2.443 . . . . 0.0 111.198 168.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -49.59 -54.84 15.99 Favored 'General case' 3 N--CA 1.579 5.994 0 C-N-CA 128.304 2.642 . . . . 0.0 111.537 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 t -64.14 -27.5 69.12 Favored 'General case' 1 C--N 1.451 5.007 0 C-N-CA 126.872 2.069 . . . . 0.0 113.399 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.66 -19.68 48.49 Favored 'General case' 1 C--N 1.476 6.106 0 C-N-CA 126.294 1.838 . . . . 0.0 112.695 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.09 -34.3 16.8 Favored 'General case' 1 C--N 1.465 5.625 0 C-N-CA 126.774 2.03 . . . . 0.0 112.914 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -74.88 -42.23 46.54 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.834 0 C-N-CA 126.903 2.081 . . . . 0.0 111.187 175.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.8 mt-10 -63.88 -22.89 67.13 Favored 'General case' 2 N--CA 1.607 7.419 0 C-N-CA 127.89 2.476 . . . . 0.0 115.079 178.259 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.47 -28.05 56.36 Favored 'General case' 0 CA--C 1.627 3.918 0 C-N-CA 126.825 2.05 . . . . 0.0 112.143 168.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 mt -92.99 -29.48 15.82 Favored 'General case' 1 C--N 1.463 5.506 0 C-N-CA 126.714 2.006 . . . . 0.0 115.543 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -88.0 -41.98 12.75 Favored 'General case' 1 N--CA 1.541 4.095 0 C-N-CA 127.227 2.211 . . . . 0.0 113.416 175.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.251 41.3 mt-10 -91.53 3.19 55.6 Favored 'General case' 2 N--CA 1.586 6.36 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -178.332 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.493 ' HB3' HG22 ' A' ' 88' ' ' VAL . . . -62.6 -25.65 68.2 Favored 'General case' 2 N--CA 1.586 6.357 0 C-N-CA 125.094 1.358 . . . . 0.0 114.257 175.279 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.94 -34.47 5.08 Favored Glycine 1 C--N 1.424 5.419 0 C-N-CA 126.972 2.225 . . . . 0.0 118.155 166.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.4 m 178.04 -31.68 0.01 OUTLIER 'General case' 1 N--CA 1.576 5.869 0 C-N-CA 130.139 3.376 . . . . 0.0 111.52 -173.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.267 31.0 mm -124.49 120.08 58.09 Favored 'Isoleucine or valine' 1 C--N 1.442 4.602 0 C-N-CA 126.792 2.037 . . . . 0.0 108.626 -177.012 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.493 HG22 ' HB3' ' A' ' 84' ' ' ALA . 33.2 t -121.44 121.63 65.13 Favored 'Isoleucine or valine' 0 CA--C 1.625 3.829 0 C-N-CA 127.585 2.354 . . . . 0.0 106.967 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.481 ' HB3' HG23 ' A' ' 11' ' ' THR 0.406 35.7 ptt180 -118.95 107.45 13.57 Favored 'General case' 1 N--CA 1.563 5.21 0 C-N-CA 126.424 1.89 . . . . 0.0 114.655 -176.579 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 pp -100.29 141.52 33.01 Favored 'General case' 0 N--CA 1.537 3.902 0 C-N-CA 127.97 2.508 . . . . 0.0 114.987 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -119.07 111.96 18.95 Favored 'General case' 1 C--O 1.308 4.177 0 C-N-CA 126.715 2.006 . . . . 0.0 110.959 177.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.254 33.8 m -105.97 159.43 6.03 Favored 'Isoleucine or valine' 2 N--CA 1.569 5.475 0 O-C-N 126.656 2.472 . . . . 0.0 115.089 -175.884 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 3.8 ppp? -125.47 117.57 23.93 Favored 'General case' 1 N--CA 1.557 4.899 0 C-N-CA 127.769 2.428 . . . . 0.0 114.261 -176.291 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.349 37.9 ptt180 -127.55 128.58 45.86 Favored 'General case' 1 N--CA 1.546 4.363 0 C-N-CA 126.362 1.865 . . . . 0.0 113.008 179.124 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -79.85 139.81 37.02 Favored 'General case' 1 N--CA 1.559 4.977 0 C-N-CA 126.891 2.076 . . . . 0.0 115.25 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.4 123.77 88.77 Favored Pre-proline 2 N--CA 1.56 5.036 0 C-N-CA 127.882 2.473 . . . . 0.0 114.719 -175.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -74.09 147.21 37.88 Favored 'Trans proline' 3 C--N 1.551 11.21 0 C-N-CA 123.673 2.915 . . . . 0.0 116.558 176.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.95 -33.04 20.74 Favored 'Trans proline' 3 C--N 1.548 11.064 0 C-N-CA 123.803 3.002 . . . . 0.0 117.512 177.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.448 4.865 0 C-N-CA 126.542 1.937 . . . . 0.0 112.699 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.404 10.0 p . . . . . 0 CA--C 1.626 3.887 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.269 13.9 p -108.4 2.82 9.63 Favored 'Isoleucine or valine' 1 CA--C 1.672 5.646 0 C-N-CA 128.782 2.833 . . . . 0.0 110.62 175.332 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -133.48 -1.52 3.14 Favored 'General case' 2 C--N 1.448 4.851 0 C-N-CA 127.465 2.306 . . . . 0.0 113.874 -173.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -91.2 150.51 21.33 Favored 'General case' 2 C--N 1.437 4.374 0 C-N-CA 128.178 2.591 . . . . 0.0 113.525 -172.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.31 0.1 OUTLIER -118.63 -44.98 2.62 Favored 'General case' 0 C--N 1.413 3.347 0 C-N-CA 127.833 2.453 . . . . 0.0 111.946 168.576 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.822 2.6 mm 52.75 58.46 0.31 Allowed 'Isoleucine or valine' 2 C--N 1.462 5.471 0 C-N-CA 129.062 2.945 . . . . 0.0 118.431 -179.108 . . . . . . . . 3 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 12.6 t -117.63 15.1 14.56 Favored 'General case' 2 CA--C 1.652 4.885 0 CA-C-N 112.104 -2.316 . . . . 0.0 113.223 -178.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.514 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 60.2 m -86.57 -174.56 5.06 Favored 'General case' 3 N--CA 1.548 4.446 0 C-N-CA 126.819 2.048 . . . . 0.0 114.964 -174.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 2 C--N 1.438 4.446 0 C-N-CA 127.189 2.195 . . . . 0.0 109.704 -173.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.609 0 CA-C-O 119.378 -0.679 . . . . 0.0 112.845 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.19 128.04 53.21 Favored 'General case' 0 C--N 1.428 3.987 0 C-N-CA 126.397 1.879 . . . . 0.0 112.726 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.257 13.3 mmt -116.07 139.72 50.01 Favored 'General case' 0 C--N 1.427 3.937 0 C-N-CA 125.881 1.673 . . . . 0.0 115.314 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -120.55 175.05 6.18 Favored 'General case' 1 N--CA 1.554 4.768 0 C-N-CA 128.511 2.725 . . . . 0.0 110.707 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.323 26.7 ptt? -71.04 159.65 34.34 Favored 'General case' 3 N--CA 1.559 4.989 0 C-N-CA 127.059 2.144 . . . . 0.0 114.421 -179.35 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -117.55 123.46 46.3 Favored 'General case' 1 N--CA 1.542 4.168 0 C-N-CA 125.645 1.578 . . . . 0.0 113.318 -167.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -104.38 141.81 35.69 Favored 'General case' 1 N--CA 1.539 4.008 0 C-N-CA 126.845 2.058 . . . . 0.0 112.57 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -127.37 133.6 50.02 Favored 'General case' 1 N--CA 1.544 4.241 0 C-N-CA 124.856 1.263 . . . . 0.0 111.092 -176.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.291 11.7 pt-20 -106.74 112.61 25.67 Favored 'General case' 0 C--N 1.421 3.697 0 C-N-CA 126.492 1.917 . . . . 0.0 112.323 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.11 141.46 25.36 Favored 'Isoleucine or valine' 2 N--CA 1.556 4.844 0 C-N-CA 124.93 1.292 . . . . 0.0 109.969 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -114.4 122.58 47.08 Favored 'General case' 0 N--CA 1.536 3.837 0 C-N-CA 126.471 1.908 . . . . 0.0 112.926 171.032 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.4 mt -119.39 141.04 49.44 Favored 'General case' 0 N--CA 1.523 3.178 0 C-N-CA 126.755 2.022 . . . . 0.0 112.057 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -97.47 122.45 40.53 Favored 'General case' 1 N--CA 1.547 4.386 0 C-N-CA 126.461 1.904 . . . . 0.0 107.815 173.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -49.81 108.75 0.23 Allowed 'General case' 3 N--CA 1.567 5.41 0 C-N-CA 128.886 2.875 . . . . 0.0 113.976 -173.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.77 159.05 41.69 Favored Glycine 2 C--N 1.418 5.115 0 CA-C-N 113.08 -1.873 . . . . 0.0 117.48 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -80.83 -22.57 39.84 Favored 'General case' 1 N--CA 1.564 5.267 0 C-N-CA 127.431 2.292 . . . . 0.0 114.392 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.3 t -94.05 -21.33 19.22 Favored 'General case' 2 C--N 1.442 4.589 0 C-N-CA 126.876 2.07 . . . . 0.0 113.313 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.8 36.56 1.68 Allowed Glycine 1 C--N 1.458 7.359 0 C-N-CA 124.47 1.033 . . . . 0.0 113.539 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.513 14.1 mt 69.01 -21.28 0.15 Allowed 'General case' 2 N--CA 1.56 5.074 0 C-N-CA 130.52 3.528 . . . . 0.0 119.701 176.668 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.83 27.05 11.69 Favored Glycine 2 C--N 1.415 4.954 0 N-CA-C 117.592 1.797 . . . . 0.0 117.592 174.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -155.81 165.19 37.26 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 127.568 2.347 . . . . 0.0 110.401 176.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 72.1 m -132.37 142.44 49.31 Favored 'General case' 1 C--N 1.451 5.018 0 C-N-CA 125.497 1.519 . . . . 0.0 110.812 171.336 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.419 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.549 2.2 pp -119.67 124.57 73.12 Favored 'Isoleucine or valine' 2 N--CA 1.581 6.116 0 N-CA-C 119.963 3.32 . . . . 0.0 119.963 -174.753 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.42 117.93 35.61 Favored 'General case' 1 C--N 1.433 4.232 0 CA-C-N 113.373 -1.74 . . . . 0.0 111.391 -177.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.94 159.56 32.69 Favored Glycine 0 N--CA 1.508 3.452 0 C-N-CA 125.633 1.587 . . . . 0.0 113.673 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.81 145.92 5.7 Favored Glycine 1 C--N 1.401 4.163 0 N-CA-C 118.969 2.348 . . . . 0.0 118.969 -172.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.306 7.1 p -100.49 -36.48 9.18 Favored 'General case' 1 N--CA 1.554 4.733 0 C-N-CA 125.765 1.626 . . . . 0.0 113.237 163.583 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.431 2.0 p30 -110.47 -29.03 8.26 Favored 'General case' 1 C--N 1.444 4.713 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 173.814 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -100.84 101.37 15.48 Favored Pre-proline 2 CA--C 1.654 4.977 0 C-N-CA 126.566 1.947 . . . . 0.0 112.449 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -75.18 159.83 40.25 Favored 'Trans proline' 3 C--N 1.549 11.096 0 C-N-CA 123.753 2.969 . . . . 0.0 118.182 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -100.83 -42.75 6.34 Favored 'General case' 1 CA--C 1.63 4.048 0 C-N-CA 127.943 2.497 . . . . 0.0 112.254 174.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.355 0.0 OUTLIER -119.37 -44.77 2.78 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.247 0 C-N-CA 124.31 1.044 . . . . 0.0 113.636 -176.837 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.88 -56.1 0.02 OUTLIER Glycine 0 C--N 1.394 3.786 0 C-N-CA 127.29 2.376 . . . . 0.0 112.747 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -160.98 82.28 0.64 Allowed 'General case' 0 N--CA 1.537 3.899 0 C-N-CA 129.522 3.129 . . . . 0.0 105.737 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -98.35 99.76 7.88 Favored Pre-proline 1 CA--C 1.672 5.645 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.442 -178.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -74.91 -27.86 9.84 Favored 'Trans proline' 3 C--N 1.554 11.354 0 C-N-CA 124.005 3.136 . . . . 0.0 117.45 175.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.3 m -97.16 144.41 27.02 Favored 'General case' 2 C--N 1.441 4.545 0 C-N-CA 126.972 2.109 . . . . 0.0 112.255 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.292 0.9 OUTLIER -90.93 124.3 43.44 Favored 'Isoleucine or valine' 3 N--CA 1.549 4.496 0 C-N-CA 125.392 1.477 . . . . 0.0 110.584 -174.007 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -121.41 153.27 38.06 Favored 'General case' 1 N--CA 1.544 4.268 0 C-N-CA 127.964 2.506 . . . . 0.0 111.987 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -87.97 144.25 9.59 Favored 'Isoleucine or valine' 2 C--N 1.449 4.918 0 C-N-CA 125.947 1.699 . . . . 0.0 109.104 169.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.45 11.1 t -147.88 -25.77 0.36 Allowed 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 126.632 1.973 . . . . 0.0 113.721 -179.594 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 9.7 tmtt? -125.04 124.09 41.21 Favored 'General case' 1 C--N 1.462 5.493 0 O-C-N 124.015 0.822 . . . . 0.0 111.238 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.605 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 43.6 mm -121.94 129.51 75.36 Favored 'Isoleucine or valine' 0 C--N 1.41 3.199 0 C-N-CA 127.083 2.153 . . . . 0.0 108.063 173.646 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.298 3.2 mp -84.31 129.17 59.04 Favored Pre-proline 1 CA--C 1.68 5.976 0 C-N-CA 126.29 1.836 . . . . 0.0 110.408 174.446 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.92 -21.84 73.43 Favored 'Trans proline' 3 C--N 1.54 10.638 0 C-N-CA 124.464 3.443 . . . . 0.0 117.756 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.58 40.5 1.65 Allowed Glycine 1 C--N 1.428 5.69 0 CA-C-O 118.172 -1.349 . . . . 0.0 115.81 177.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.15 -177.84 36.07 Favored Glycine 2 C--N 1.442 6.446 0 C-N-CA 125.335 1.445 . . . . 0.0 115.713 173.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.79 -35.16 33.46 Favored 'General case' 1 N--CA 1.545 4.303 0 C-N-CA 127.571 2.348 . . . . 0.0 116.332 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.65 -25.41 35.63 Favored 'General case' 2 N--CA 1.556 4.863 0 C-N-CA 126.998 2.119 . . . . 0.0 115.989 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.47 -45.04 11.5 Favored 'General case' 1 C--N 1.449 4.901 0 C-N-CA 127.675 2.39 . . . . 0.0 113.868 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -51.02 5.61 Favored 'General case' 1 C--N 1.448 4.879 0 C-N-CA 127.383 2.273 . . . . 0.0 114.64 178.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.77 -31.94 16.32 Favored 'General case' 1 C--N 1.456 5.23 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -175.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.3 -74.18 1.28 Allowed Glycine 2 C--N 1.463 7.613 0 CA-C-O 117.45 -1.75 . . . . 0.0 117.167 -173.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 161.64 -22.02 0.0 OUTLIER 'General case' 2 N--CA 1.628 8.433 0 C-N-CA 130.917 3.687 . . . . 0.0 113.621 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.67 127.45 32.8 Favored 'General case' 1 C--N 1.452 5.053 0 N-CA-C 117.738 2.495 . . . . 0.0 117.738 -163.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.26 158.64 19.47 Favored 'General case' 0 N--CA 1.533 3.689 0 C-N-CA 129.097 2.959 . . . . 0.0 111.01 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.568 HG13 HG12 ' A' ' 43' ' ' ILE 0.259 2.5 m -53.09 -28.49 14.47 Favored 'Isoleucine or valine' 1 N--CA 1.633 8.711 0 C-N-CA 128.003 2.521 . . . . 0.0 116.125 174.906 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -90.05 7.59 36.92 Favored 'General case' 1 CA--C 1.664 5.33 0 C-N-CA 128.959 2.904 . . . . 0.0 112.051 -177.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.48 -39.6 16.12 Favored 'General case' 2 C--N 1.487 6.586 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 177.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.26 22.9 t 45.41 119.3 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.761 0 C-N-CA 129.432 3.093 . . . . 0.0 115.855 178.865 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.52 HG21 HG23 ' A' ' 64' ' ' VAL . 5.7 mt -85.72 127.5 40.06 Favored 'Isoleucine or valine' 1 N--CA 1.565 5.298 0 C-N-CA 124.861 1.264 . . . . 0.0 110.306 -176.528 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.4 pt? -94.23 -43.13 8.59 Favored 'General case' 0 C--N 1.421 3.701 0 O-C-N 125.127 1.517 . . . . 0.0 112.924 169.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -133.21 127.11 33.05 Favored 'General case' 2 C--N 1.449 4.904 0 O-C-N 124.862 1.351 . . . . 0.0 113.356 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.747 ' O ' ' HB ' ' A' ' 67' ' ' VAL 0.313 3.5 p -120.8 125.74 74.42 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.083 0 CA-C-O 118.952 -0.547 . . . . 0.0 112.328 179.946 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.263 46.1 m-80 78.96 -5.21 2.03 Favored 'General case' 2 N--CA 1.623 8.18 0 C-N-CA 129.083 2.953 . . . . 0.0 114.191 -166.736 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.327 5.8 tp10 86.53 23.97 0.06 Allowed 'General case' 3 N--CA 1.591 6.607 0 C-N-CA 131.547 3.939 . . . . 0.0 108.837 -159.579 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 64' ' ' VAL . 1.2 t -97.57 145.75 8.83 Favored 'Isoleucine or valine' 1 C--N 1.446 4.785 0 C-N-CA 129.766 3.226 . . . . 0.0 110.522 -178.36 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.436 4.4 p-10 -82.61 93.79 7.4 Favored 'General case' 0 C--N 1.405 3.0 0 O-C-N 125.682 1.864 . . . . 0.0 114.941 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.46 26.2 m -90.49 -8.6 10.6 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.947 0 CA-C-N 113.374 -1.739 . . . . 0.0 115.666 176.361 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -46.46 -26.15 0.8 Allowed 'General case' 2 N--CA 1.596 6.832 0 C-N-CA 128.203 2.601 . . . . 0.0 117.18 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -152.29 80.11 1.24 Allowed 'General case' 1 C--N 1.456 5.206 0 C-N-CA 129.739 3.216 . . . . 0.0 108.823 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.565 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.273 19.2 m -143.83 162.2 15.78 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.699 0 C-N-CA 127.062 2.145 . . . . 0.0 110.295 178.013 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -77.4 164.59 25.34 Favored 'General case' 1 N--CA 1.576 5.835 0 C-N-CA 126.461 1.904 . . . . 0.0 111.626 167.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.34 9.2 p-80 -53.64 -52.38 60.1 Favored 'General case' 2 N--CA 1.593 6.714 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 176.627 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -58.97 -34.76 72.18 Favored 'General case' 2 N--CA 1.571 5.602 0 C-N-CA 127.101 2.16 . . . . 0.0 113.883 176.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.77 -22.88 62.33 Favored 'General case' 1 C--N 1.454 5.147 0 C-N-CA 128.682 2.793 . . . . 0.0 114.073 175.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -35.84 14.88 Favored 'General case' 1 C--N 1.461 5.43 0 C-N-CA 126.666 1.986 . . . . 0.0 112.292 174.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.4 t -70.69 -40.61 77.15 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.532 0 C-N-CA 127.816 2.446 . . . . 0.0 111.869 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.3 mt-10 -64.2 -16.67 62.44 Favored 'General case' 1 N--CA 1.597 6.881 0 C-N-CA 127.954 2.501 . . . . 0.0 115.042 177.186 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.74 -29.51 32.86 Favored 'General case' 1 CA--C 1.634 4.181 0 C-N-CA 126.764 2.025 . . . . 0.0 112.439 167.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.33 -32.91 14.81 Favored 'General case' 2 C--N 1.459 5.335 0 N-CA-C 116.242 1.942 . . . . 0.0 116.242 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -86.91 -39.8 15.44 Favored 'General case' 0 N--CA 1.533 3.705 0 C-N-CA 127.508 2.323 . . . . 0.0 113.895 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.273 40.7 mt-10 -91.05 -11.57 38.34 Favored 'General case' 2 N--CA 1.58 6.063 0 N-CA-C 119.886 3.291 . . . . 0.0 119.886 -175.817 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.99 -24.0 56.36 Favored 'General case' 3 N--CA 1.598 6.929 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.09 -34.59 5.24 Favored Glycine 1 C--N 1.423 5.383 0 N-CA-C 119.651 2.62 . . . . 0.0 119.651 164.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 m -172.06 -34.32 0.01 OUTLIER 'General case' 1 N--CA 1.565 5.31 0 C-N-CA 129.102 2.961 . . . . 0.0 111.621 -172.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.261 23.6 mm -124.73 125.26 69.62 Favored 'Isoleucine or valine' 1 C--N 1.442 4.621 0 C-N-CA 126.168 1.787 . . . . 0.0 109.33 -176.741 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.368 18.9 m -122.79 121.98 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.931 0 C-N-CA 127.475 2.31 . . . . 0.0 112.462 176.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.378 36.9 ptt180 -113.26 98.88 7.4 Favored 'General case' 1 N--CA 1.549 4.517 0 C-N-CA 126.075 1.75 . . . . 0.0 114.369 -178.561 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.34 137.28 32.8 Favored 'General case' 0 N--CA 1.527 3.389 0 C-N-CA 127.494 2.318 . . . . 0.0 113.637 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -117.87 112.26 20.12 Favored 'General case' 0 C--O 1.299 3.658 0 C-N-CA 126.443 1.897 . . . . 0.0 111.15 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.6 m -106.7 159.92 6.31 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.067 0 O-C-N 127.0 2.688 . . . . 0.0 115.466 -174.753 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 4.0 ppp? -123.16 116.62 23.74 Favored 'General case' 1 N--CA 1.566 5.333 0 C-N-CA 127.717 2.407 . . . . 0.0 114.08 -176.106 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -123.89 164.83 18.47 Favored 'General case' 0 N--CA 1.533 3.684 0 C-N-CA 128.075 2.55 . . . . 0.0 111.313 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -90.57 147.12 23.55 Favored 'General case' 1 CA--C 1.638 4.331 0 C-N-CA 127.8 2.44 . . . . 0.0 110.108 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.304 21.0 pttp -55.9 118.62 21.21 Favored Pre-proline 2 CA--C 1.679 5.918 0 C-N-CA 128.539 2.736 . . . . 0.0 117.945 -175.455 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -81.4 153.25 18.18 Favored 'Trans proline' 3 C--N 1.549 11.102 0 C-N-CA 123.815 3.01 . . . . 0.0 116.616 174.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -70.54 140.75 40.42 Favored 'Trans proline' 3 C--N 1.551 11.188 0 C-N-CA 123.802 3.001 . . . . 0.0 116.263 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.434 4.258 0 C-N-CA 126.321 1.848 . . . . 0.0 113.05 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.484 5.8 m . . . . . 0 N--CA 1.529 3.496 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.349 9.1 p -86.37 -47.3 16.39 Favored 'Isoleucine or valine' 2 N--CA 1.544 4.243 0 C-N-CA 127.477 2.311 . . . . 0.0 112.128 178.067 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . 0.426 62.1 m 57.86 144.27 0.01 OUTLIER 'General case' 1 C--N 1.447 4.846 0 C-N-CA 130.648 3.579 . . . . 0.0 119.555 171.235 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.65 170.28 13.8 Favored 'General case' 0 CA--C 1.627 3.906 1 C-N-CA 132.746 4.419 . . . . 0.0 115.26 175.115 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -77.72 -31.01 52.03 Favored 'General case' 1 N--CA 1.551 4.582 0 C-N-CA 127.994 2.518 . . . . 0.0 112.24 172.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.657 9.7 tp 50.31 64.18 0.2 Allowed 'Isoleucine or valine' 2 N--CA 1.578 5.956 0 C-N-CA 130.349 3.46 . . . . 0.0 115.571 -178.04 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 76.7 p -118.1 20.83 13.08 Favored 'General case' 2 N--CA 1.572 5.645 0 CA-C-N 110.747 -2.933 . . . . 0.0 114.385 -174.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.419 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 50.7 m -92.76 -177.47 4.56 Favored 'General case' 1 CA--C 1.635 4.225 0 C-N-CA 127.62 2.368 . . . . 0.0 114.73 -172.399 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 2 C--N 1.45 4.978 0 C-N-CA 126.368 1.867 . . . . 0.0 107.537 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.416 0 CA-C-O 119.38 -0.678 . . . . 0.0 112.974 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.7 143.65 35.91 Favored 'General case' 0 N--CA 1.538 3.945 0 C-N-CA 126.625 1.97 . . . . 0.0 113.485 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.315 1.0 OUTLIER -98.79 149.39 22.93 Favored 'General case' 1 C--N 1.433 4.229 0 C-N-CA 125.947 1.699 . . . . 0.0 113.235 174.482 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.4 10.3 pt-20 -120.33 139.32 52.93 Favored 'General case' 0 N--CA 1.534 3.746 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -172.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.298 21.1 ptt? -75.95 139.17 41.44 Favored 'General case' 1 N--CA 1.545 4.309 0 C-N-CA 127.721 2.408 . . . . 0.0 114.152 178.742 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.393 11.2 pt-20 -115.06 114.45 25.38 Favored 'General case' 1 N--CA 1.546 4.354 0 C-N-CA 126.956 2.103 . . . . 0.0 114.526 -172.837 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.18 142.74 32.18 Favored 'General case' 0 N--CA 1.535 3.815 0 C-N-CA 126.614 1.966 . . . . 0.0 113.172 -176.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -122.74 129.83 52.22 Favored 'General case' 1 N--CA 1.544 4.228 0 C-N-CA 125.465 1.506 . . . . 0.0 114.186 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.28 10.9 pt-20 -107.11 108.75 20.37 Favored 'General case' 0 C--N 1.421 3.684 0 C-N-CA 126.072 1.749 . . . . 0.0 111.841 174.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -116.54 133.72 62.27 Favored 'Isoleucine or valine' 2 N--CA 1.55 4.555 0 O-C-N 124.769 1.293 . . . . 0.0 111.179 -177.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.24 125.85 51.66 Favored 'General case' 1 N--CA 1.549 4.523 0 C-N-CA 127.89 2.476 . . . . 0.0 113.997 171.586 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -125.22 166.73 15.94 Favored 'General case' 1 N--CA 1.54 4.06 0 C-N-CA 127.817 2.447 . . . . 0.0 112.065 174.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -97.15 141.39 30.33 Favored 'General case' 2 C--N 1.438 4.43 0 C-N-CA 126.293 1.837 . . . . 0.0 110.219 173.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.9 108.86 17.15 Favored 'General case' 0 N--CA 1.538 3.972 0 C-N-CA 128.423 2.689 . . . . 0.0 114.203 -170.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.57 -61.85 3.9 Favored Glycine 2 N--CA 1.556 6.657 0 N-CA-C 118.458 2.143 . . . . 0.0 118.458 164.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -63.01 -21.82 66.42 Favored 'General case' 2 N--CA 1.572 5.656 0 C-N-CA 128.555 2.742 . . . . 0.0 115.735 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -91.14 -22.96 20.43 Favored 'General case' 2 C--N 1.448 4.884 0 C-N-CA 125.966 1.706 . . . . 0.0 112.79 176.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.8 62.05 0.75 Allowed Glycine 1 C--N 1.482 8.664 0 CA-C-O 118.565 -1.131 . . . . 0.0 114.939 170.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.68 112.21 2.74 Favored 'General case' 2 C--N 1.44 4.524 0 C-N-CA 126.55 1.94 . . . . 0.0 113.756 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.89 69.38 0.25 Allowed Glycine 1 C--N 1.415 4.925 0 C-N-CA 126.144 1.83 . . . . 0.0 115.961 -167.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -159.55 167.19 29.16 Favored 'General case' 1 CA--C 1.629 4.014 0 C-N-CA 129.571 3.148 . . . . 0.0 108.466 169.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.497 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.5 m -134.72 139.41 45.18 Favored 'General case' 1 C--N 1.455 5.18 0 CA-C-N 119.227 0.922 . . . . 0.0 111.297 166.43 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.477 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.447 2.0 pp -114.47 129.68 70.1 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.688 0 N-CA-C 118.829 2.899 . . . . 0.0 118.829 -172.877 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.72 118.04 36.03 Favored 'General case' 1 C--N 1.431 4.141 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.192 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.5 156.66 24.77 Favored Glycine 0 C--O 1.293 3.835 0 C-N-CA 125.896 1.712 . . . . 0.0 113.324 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.88 124.59 0.86 Allowed Glycine 1 C--N 1.42 5.211 0 N-CA-C 121.143 3.217 . . . . 0.0 121.143 -175.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.253 6.9 p -102.41 -34.34 9.2 Favored 'General case' 1 N--CA 1.548 4.443 0 O-C-N 126.356 1.856 . . . . 0.0 112.252 160.6 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -107.51 -36.2 6.54 Favored 'General case' 1 C--N 1.439 4.483 0 C-N-CA 125.73 1.612 . . . . 0.0 112.719 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -101.43 110.42 61.59 Favored Pre-proline 2 C--N 1.447 4.824 0 C-N-CA 126.851 2.06 . . . . 0.0 113.697 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.72 171.01 14.01 Favored 'Trans proline' 3 C--N 1.543 10.808 0 C-N-CA 124.241 3.294 . . . . 0.0 116.566 176.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . 0.273 77.9 t60 -119.44 -46.77 2.47 Favored 'General case' 1 C--N 1.439 4.47 0 C-N-CA 125.125 1.37 . . . . 0.0 112.07 167.002 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.331 4.4 tp -123.51 26.07 3.38 Favored 'Isoleucine or valine' 1 CA--C 1.665 5.37 0 C-N-CA 125.937 1.695 . . . . 0.0 113.339 -170.816 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.84 -66.36 0.58 Allowed Glycine 1 C--N 1.404 4.345 0 C-N-CA 125.395 1.474 . . . . 0.0 113.452 -175.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -168.29 83.51 0.18 Allowed 'General case' 1 N--CA 1.545 4.29 0 C-N-CA 130.633 3.573 . . . . 0.0 106.934 177.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -104.96 122.43 43.22 Favored Pre-proline 2 CA--C 1.675 5.783 0 C-N-CA 125.911 1.684 . . . . 0.0 112.173 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -76.52 -28.75 6.49 Favored 'Trans proline' 3 C--N 1.553 11.29 0 C-N-CA 123.997 3.131 . . . . 0.0 118.448 176.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 p -87.64 152.36 22.23 Favored 'General case' 2 N--CA 1.556 4.836 0 C-N-CA 127.124 2.17 . . . . 0.0 114.793 -176.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.619 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.313 0.8 OUTLIER -90.44 113.13 25.92 Favored 'Isoleucine or valine' 3 C--N 1.455 5.185 0 C-N-CA 125.53 1.532 . . . . 0.0 109.983 -177.646 . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -120.53 145.78 46.97 Favored 'General case' 0 N--CA 1.534 3.734 0 C-N-CA 129.165 2.986 . . . . 0.0 111.576 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mm -87.18 144.91 8.32 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.94 0 C-N-CA 126.148 1.779 . . . . 0.0 111.376 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.387 15.1 t -142.73 -33.38 0.46 Allowed 'General case' 1 N--CA 1.548 4.454 0 C-N-CA 126.528 1.931 . . . . 0.0 112.889 175.77 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.274 53.8 tptt -113.41 126.71 55.65 Favored 'General case' 1 C--N 1.459 5.341 0 O-C-N 124.442 1.089 . . . . 0.0 112.657 -179.05 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.628 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.272 37.9 mm -127.12 121.83 58.68 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.488 0 C-N-CA 127.329 2.252 . . . . 0.0 107.715 172.008 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.8 mp -79.09 134.0 60.25 Favored Pre-proline 2 CA--C 1.682 6.049 0 C-N-CA 126.523 1.929 . . . . 0.0 110.735 172.255 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.48 -20.48 60.85 Favored 'Trans proline' 3 C--N 1.535 10.352 0 C-N-CA 124.24 3.293 . . . . 0.0 117.731 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.71 43.23 1.31 Allowed Glycine 1 C--N 1.43 5.794 0 CA-C-O 118.178 -1.345 . . . . 0.0 116.308 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.46 -178.1 32.68 Favored Glycine 2 C--N 1.438 6.204 0 C-N-CA 125.168 1.365 . . . . 0.0 115.171 172.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.03 -37.53 28.97 Favored 'General case' 1 N--CA 1.54 4.071 0 C-N-CA 127.746 2.418 . . . . 0.0 115.503 -178.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.81 -22.59 39.88 Favored 'General case' 2 C--N 1.445 4.725 0 C-N-CA 126.807 2.043 . . . . 0.0 115.853 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.87 -42.06 13.53 Favored 'General case' 1 C--N 1.446 4.788 0 C-N-CA 127.121 2.168 . . . . 0.0 113.69 177.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -90.63 -55.32 3.62 Favored 'General case' 1 C--N 1.447 4.838 0 C-N-CA 127.106 2.162 . . . . 0.0 114.62 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.06 -32.25 15.96 Favored 'General case' 1 C--N 1.459 5.333 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -175.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.24 -47.31 4.72 Favored Glycine 2 C--N 1.443 6.499 0 N-CA-C 117.876 1.91 . . . . 0.0 117.876 -173.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.534 99.3 mtt180 87.05 52.13 0.01 OUTLIER 'General case' 2 N--CA 1.58 6.068 0 C-N-CA 130.357 3.463 . . . . 0.0 115.977 -178.36 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.89 127.05 55.31 Favored 'General case' 0 C--N 1.418 3.553 0 C-N-CA 127.944 2.497 . . . . 0.0 112.31 171.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -111.84 161.93 15.83 Favored 'General case' 0 N--CA 1.536 3.841 0 C-N-CA 128.392 2.677 . . . . 0.0 110.683 171.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 43' ' ' ILE 0.277 2.9 m -52.82 -29.86 14.95 Favored 'Isoleucine or valine' 1 N--CA 1.63 8.558 0 C-N-CA 127.794 2.437 . . . . 0.0 116.174 175.284 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -90.43 7.96 36.11 Favored 'General case' 1 CA--C 1.668 5.505 0 C-N-CA 129.11 2.964 . . . . 0.0 112.046 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 1.9 m-20 -88.94 -36.06 16.11 Favored 'General case' 2 C--N 1.485 6.496 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 178.752 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.4 m 45.43 118.78 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.824 0 C-N-CA 128.559 2.744 . . . . 0.0 116.578 177.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mt -86.39 126.65 40.69 Favored 'Isoleucine or valine' 1 N--CA 1.561 5.123 0 C-N-CA 124.714 1.206 . . . . 0.0 110.216 -175.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.257 1.5 pt? -92.17 -44.6 8.7 Favored 'General case' 1 C--N 1.431 4.128 0 O-C-N 124.817 1.323 . . . . 0.0 112.434 170.764 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -131.79 134.25 45.62 Favored 'General case' 2 C--N 1.447 4.834 0 O-C-N 125.1 1.5 . . . . 0.0 113.201 -176.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.297 14.3 t -116.36 137.28 50.63 Favored 'Isoleucine or valine' 1 N--CA 1.575 5.822 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.455 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.316 11.1 m120 76.0 -79.86 0.04 OUTLIER 'General case' 2 N--CA 1.586 6.372 0 C-N-CA 128.902 2.881 . . . . 0.0 111.602 -176.751 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -160.08 8.66 0.1 Allowed 'General case' 2 CA--C 1.637 4.297 1 C-N-CA 134.83 5.252 . . . . 0.0 106.813 170.804 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.369 25.1 m -103.43 155.25 5.5 Favored 'Isoleucine or valine' 1 C--N 1.46 5.37 0 C-N-CA 127.601 2.36 . . . . 0.0 115.319 -166.86 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.418 4.4 p30 -86.07 98.28 10.77 Favored 'General case' 0 C--N 1.412 3.291 0 C-N-CA 127.696 2.398 . . . . 0.0 114.504 -176.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.392 19.1 m -91.41 -18.68 7.3 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.324 0 CA-C-N 112.649 -2.069 . . . . 0.0 114.631 176.228 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.306 16.9 ptm180 -43.46 -27.67 0.29 Allowed 'General case' 3 N--CA 1.586 6.372 0 C-N-CA 128.69 2.796 . . . . 0.0 117.548 -178.404 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -140.84 75.48 1.51 Allowed 'General case' 1 C--N 1.436 4.327 0 C-N-CA 129.489 3.116 . . . . 0.0 109.695 174.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.54 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.277 18.3 m -142.75 166.85 15.06 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.419 0 C-N-CA 126.825 2.05 . . . . 0.0 109.07 174.903 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 p -80.92 164.94 22.23 Favored 'General case' 1 N--CA 1.564 5.258 0 C-N-CA 127.725 2.41 . . . . 0.0 110.293 168.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.281 6.1 p80 -52.7 -49.66 64.91 Favored 'General case' 2 N--CA 1.601 7.118 0 C-N-CA 125.235 1.414 . . . . 0.0 113.193 176.681 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.9 p -55.64 -37.21 67.93 Favored 'General case' 2 C--N 1.44 4.513 0 C-N-CA 128.199 2.6 . . . . 0.0 114.832 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.74 -20.36 53.6 Favored 'General case' 1 C--N 1.464 5.583 0 C-N-CA 127.488 2.315 . . . . 0.0 113.277 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.67 -34.31 18.48 Favored 'General case' 1 C--N 1.467 5.71 0 C-N-CA 126.507 1.923 . . . . 0.0 112.693 172.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -72.69 -39.85 60.92 Favored 'Isoleucine or valine' 3 N--CA 1.595 6.781 0 C-N-CA 127.449 2.3 . . . . 0.0 111.245 176.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.7 mt-10 -62.69 -19.46 63.9 Favored 'General case' 2 N--CA 1.596 6.869 0 C-N-CA 128.286 2.634 . . . . 0.0 115.367 176.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.96 -28.62 39.59 Favored 'General case' 1 CA--C 1.632 4.1 0 C-N-CA 126.93 2.092 . . . . 0.0 112.026 168.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.67 -28.48 16.64 Favored 'General case' 2 C--N 1.457 5.267 0 C-N-CA 127.223 2.209 . . . . 0.0 116.482 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -90.45 -37.12 14.15 Favored 'General case' 1 N--CA 1.542 4.15 0 C-N-CA 127.557 2.343 . . . . 0.0 114.247 175.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.283 39.7 mt-10 -91.18 -15.73 28.85 Favored 'General case' 2 N--CA 1.591 6.602 0 N-CA-C 120.488 3.514 . . . . 0.0 120.488 -177.666 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.24 -24.43 18.58 Favored 'General case' 3 N--CA 1.605 7.301 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.24 -35.36 4.8 Favored Glycine 1 C--N 1.424 5.43 0 N-CA-C 119.245 2.458 . . . . 0.0 119.245 166.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.3 p -171.84 -34.31 0.02 OUTLIER 'General case' 1 N--CA 1.56 5.031 0 C-N-CA 128.03 2.532 . . . . 0.0 113.243 -174.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.298 42.2 mm -128.53 121.26 54.75 Favored 'Isoleucine or valine' 1 C--N 1.434 4.255 0 C-N-CA 126.177 1.791 . . . . 0.0 108.65 -176.257 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.13 122.15 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.041 0 C-N-CA 127.892 2.477 . . . . 0.0 111.955 -175.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -109.55 135.35 50.67 Favored 'General case' 1 N--CA 1.54 4.053 0 C-N-CA 126.41 1.884 . . . . 0.0 111.496 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -122.77 138.13 54.72 Favored 'General case' 0 N--CA 1.528 3.447 0 C-N-CA 128.106 2.563 . . . . 0.0 112.467 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -118.95 110.74 17.5 Favored 'General case' 0 C--O 1.304 3.955 0 C-N-CA 126.406 1.882 . . . . 0.0 110.58 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.264 23.2 m -105.78 159.9 5.79 Favored 'Isoleucine or valine' 2 N--CA 1.574 5.744 0 O-C-N 126.657 2.473 . . . . 0.0 115.088 -175.178 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.276 24.5 ptt? -128.59 121.89 29.73 Favored 'General case' 2 N--CA 1.578 5.939 0 C-N-CA 127.543 2.337 . . . . 0.0 114.686 -174.679 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -139.67 135.04 32.81 Favored 'General case' 1 N--CA 1.557 4.891 0 C-N-CA 127.462 2.305 . . . . 0.0 110.989 176.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -92.55 145.83 24.14 Favored 'General case' 0 CA--C 1.626 3.897 0 C-N-CA 126.149 1.78 . . . . 0.0 110.422 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.316 16.7 ptmt -67.19 117.91 50.92 Favored Pre-proline 2 CA--C 1.677 5.853 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 -173.721 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -84.28 145.71 10.91 Favored 'Trans proline' 3 C--N 1.546 10.927 0 C-N-CA 123.495 2.797 . . . . 0.0 116.49 173.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -71.82 128.49 14.23 Favored 'Trans proline' 3 C--N 1.549 11.084 0 C-N-CA 123.48 2.787 . . . . 0.0 116.103 174.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.428 4.008 0 C-N-CA 126.408 1.883 . . . . 0.0 112.965 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.311 8.3 p . . . . . 0 CA--C 1.593 2.625 0 CA-C-O 120.425 0.155 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.522 19.1 m 61.31 -19.74 0.0 OUTLIER 'Isoleucine or valine' 3 N--CA 1.613 7.708 0 N-CA-C 118.232 2.678 . . . . 0.0 118.232 -179.421 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 66.9 p -108.51 -60.27 1.76 Allowed 'General case' 0 C--N 1.422 3.743 0 C-N-CA 128.245 2.618 . . . . 0.0 116.61 -171.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.342 10.6 pt-20 -118.74 158.87 24.73 Favored 'General case' 2 C--N 1.463 5.533 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -173.291 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -70.86 -36.93 73.04 Favored 'General case' 3 N--CA 1.563 5.221 0 C-N-CA 128.595 2.758 . . . . 0.0 114.156 173.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.676 0.4 OUTLIER 61.57 59.44 0.19 Allowed 'Isoleucine or valine' 3 C--N 1.442 4.612 0 C-N-CA 130.714 3.605 . . . . 0.0 118.116 178.144 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.261 66.8 p -121.4 81.06 1.74 Allowed 'General case' 0 C--N 1.424 3.806 0 C-N-CA 126.934 2.094 . . . . 0.0 110.466 174.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.477 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 60.2 m -125.79 -176.14 3.54 Favored 'General case' 1 N--CA 1.539 4.011 0 C-N-CA 127.184 2.194 . . . . 0.0 112.316 -175.789 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.253 2.4 t . . . . . 1 C--N 1.444 4.702 0 C-N-CA 125.581 1.552 . . . . 0.0 108.348 -177.908 . . . . . . . . 2 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.434 0 CA-C-O 119.556 -0.58 . . . . 0.0 112.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.65 129.72 52.77 Favored 'General case' 0 C--N 1.426 3.909 0 C-N-CA 126.546 1.938 . . . . 0.0 112.906 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.0 mtt -111.2 135.44 51.72 Favored 'General case' 1 N--CA 1.548 4.452 0 C-N-CA 126.359 1.864 . . . . 0.0 114.068 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -111.11 -178.76 3.54 Favored 'General case' 1 N--CA 1.55 4.569 0 C-N-CA 127.065 2.146 . . . . 0.0 111.967 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.8 mmt -69.92 160.33 32.06 Favored 'General case' 2 N--CA 1.553 4.705 0 C-N-CA 129.421 3.088 . . . . 0.0 115.546 -172.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.43 10.9 pt-20 -129.28 110.82 12.27 Favored 'General case' 1 N--CA 1.55 4.565 0 C-N-CA 125.334 1.454 . . . . 0.0 114.651 -175.437 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -110.59 145.14 38.36 Favored 'General case' 1 N--CA 1.544 4.271 0 C-N-CA 126.51 1.924 . . . . 0.0 113.159 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -126.27 132.37 51.69 Favored 'General case' 1 N--CA 1.552 4.629 0 C-N-CA 125.728 1.611 . . . . 0.0 114.112 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.297 11.9 pt-20 -108.56 108.98 20.1 Favored 'General case' 1 C--N 1.428 4.001 0 C-N-CA 125.744 1.617 . . . . 0.0 111.904 172.813 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -113.93 145.36 19.88 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.262 0 C-N-CA 125.018 1.327 . . . . 0.0 111.088 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.41 127.23 55.61 Favored 'General case' 2 N--CA 1.554 4.739 0 C-N-CA 127.252 2.221 . . . . 0.0 113.75 172.813 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -128.21 148.53 50.62 Favored 'General case' 0 N--CA 1.534 3.768 0 C-N-CA 127.333 2.253 . . . . 0.0 113.01 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.92 127.42 47.41 Favored 'General case' 1 N--CA 1.548 4.438 0 C-N-CA 126.51 1.924 . . . . 0.0 110.309 178.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -87.3 120.78 28.94 Favored 'General case' 0 N--CA 1.536 3.852 0 C-N-CA 127.692 2.397 . . . . 0.0 113.257 -176.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.07 27.45 40.7 Favored Glycine 2 N--CA 1.543 5.829 0 N-CA-C 119.355 2.502 . . . . 0.0 119.355 172.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -90.68 -40.64 11.76 Favored 'General case' 1 N--CA 1.563 5.188 0 C-N-CA 126.103 1.761 . . . . 0.0 112.934 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.5 p -119.13 -21.42 7.62 Favored 'General case' 1 C--N 1.437 4.382 0 C-N-CA 127.191 2.196 . . . . 0.0 113.308 172.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.98 9.44 22.5 Favored Glycine 1 C--N 1.451 6.963 0 C-N-CA 125.784 1.659 . . . . 0.0 113.682 -177.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.458 78.4 mt 59.08 119.23 0.01 OUTLIER 'General case' 2 C--N 1.47 5.844 0 C-N-CA 130.355 3.462 . . . . 0.0 116.06 -178.285 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.21 54.07 1.82 Allowed Glycine 1 C--N 1.419 5.157 0 C-N-CA 126.623 2.059 . . . . 0.0 117.858 -167.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -160.15 172.21 17.86 Favored 'General case' 3 CA--C 1.635 4.236 0 C-N-CA 128.506 2.723 . . . . 0.0 109.005 168.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.553 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 70.0 m -137.01 142.4 42.51 Favored 'General case' 1 C--N 1.441 4.572 0 C-N-CA 125.534 1.533 . . . . 0.0 109.734 167.477 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.46 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.54 2.0 pp -118.35 126.12 74.82 Favored 'Isoleucine or valine' 2 N--CA 1.566 5.345 0 N-CA-C 119.56 3.171 . . . . 0.0 119.56 -175.286 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.515 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -103.82 117.52 34.53 Favored 'General case' 1 C--N 1.434 4.269 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.826 -177.141 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.63 164.95 28.43 Favored Glycine 0 N--CA 1.512 3.74 0 C-N-CA 125.77 1.652 . . . . 0.0 113.702 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.44 134.38 1.95 Allowed Glycine 1 C--N 1.411 4.704 0 N-CA-C 119.576 2.59 . . . . 0.0 119.576 -176.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.297 12.3 p -108.88 -39.32 5.36 Favored 'General case' 1 N--CA 1.554 4.742 0 C-N-CA 125.382 1.473 . . . . 0.0 113.36 160.286 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.47 -36.69 7.46 Favored 'General case' 2 C--N 1.434 4.269 0 C-N-CA 125.398 1.479 . . . . 0.0 113.427 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -101.82 123.62 43.26 Favored Pre-proline 2 CA--C 1.67 5.586 0 C-N-CA 126.988 2.115 . . . . 0.0 111.038 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' HB2' ' HB2' ' B' ' 3' ' ' SER . 12.0 Cg_exo -68.92 151.96 73.61 Favored 'Trans proline' 3 C--N 1.542 10.738 0 C-N-CA 123.797 2.998 . . . . 0.0 117.388 176.064 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . 0.287 0.5 OUTLIER -113.75 -37.66 4.49 Favored 'General case' 0 C--N 1.418 3.553 0 C-N-CA 127.927 2.491 . . . . 0.0 112.34 170.389 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.581 ' HA ' HG23 ' B' ' 1' ' ' VAL 0.362 2.3 pp -128.02 -54.15 1.48 Allowed 'Isoleucine or valine' 1 N--CA 1.565 5.286 0 C-N-CA 126.362 1.865 . . . . 0.0 115.188 -169.958 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.5 34.79 0.17 Allowed Glycine 0 C--N 1.377 2.82 0 C-N-CA 128.674 3.035 . . . . 0.0 112.436 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.412 10.2 t70 84.96 73.75 0.02 OUTLIER 'General case' 2 N--CA 1.568 5.457 0 C-N-CA 131.329 3.852 . . . . 0.0 109.486 -177.366 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -58.86 134.13 86.89 Favored Pre-proline 2 CA--C 1.686 6.209 0 C-N-CA 128.914 2.886 . . . . 0.0 117.429 -175.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.33 -46.81 0.06 OUTLIER 'Trans proline' 3 C--N 1.536 10.436 0 C-N-CA 123.051 2.5 . . . . 0.0 116.659 168.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.9 p -100.8 162.86 12.62 Favored 'General case' 2 C--N 1.445 4.753 0 C-N-CA 127.71 2.404 . . . . 0.0 113.986 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.566 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.268 1.2 mm -92.38 127.35 44.63 Favored 'Isoleucine or valine' 3 C--N 1.454 5.151 0 C-N-CA 125.803 1.641 . . . . 0.0 109.429 -179.755 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -126.01 153.9 43.72 Favored 'General case' 1 N--CA 1.545 4.278 0 C-N-CA 127.419 2.288 . . . . 0.0 111.912 -173.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -90.33 141.81 13.84 Favored 'Isoleucine or valine' 1 C--N 1.453 5.091 0 C-N-CA 125.973 1.709 . . . . 0.0 109.071 171.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.321 2.2 p -145.05 -26.73 0.48 Allowed 'General case' 1 N--CA 1.556 4.839 0 C-N-CA 127.344 2.257 . . . . 0.0 113.973 -176.64 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 11.7 tmtt? -126.83 127.9 45.71 Favored 'General case' 1 C--N 1.469 5.793 0 C-N-CA 123.431 0.692 . . . . 0.0 110.753 178.684 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.621 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.277 42.1 mm -124.44 129.82 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.158 0 C-N-CA 127.126 2.171 . . . . 0.0 108.554 175.31 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.307 4.0 mp -82.97 130.38 57.81 Favored Pre-proline 2 CA--C 1.681 5.985 0 C-N-CA 125.611 1.564 . . . . 0.0 110.733 172.875 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.36 -22.79 65.91 Favored 'Trans proline' 3 C--N 1.538 10.521 0 C-N-CA 124.396 3.398 . . . . 0.0 117.483 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.27 44.58 1.2 Allowed Glycine 1 C--N 1.429 5.706 0 C-N-CA 125.001 1.286 . . . . 0.0 115.354 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.34 -177.63 30.11 Favored Glycine 2 C--N 1.436 6.13 0 C-N-CA 125.508 1.528 . . . . 0.0 115.353 174.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.73 -35.38 33.48 Favored 'General case' 1 N--CA 1.54 4.047 0 C-N-CA 127.69 2.396 . . . . 0.0 115.744 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.14 -26.17 36.31 Favored 'General case' 2 C--N 1.445 4.739 0 C-N-CA 126.703 2.001 . . . . 0.0 116.239 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 -42.45 16.38 Favored 'General case' 1 C--N 1.444 4.695 0 C-N-CA 127.228 2.211 . . . . 0.0 113.481 177.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -90.95 -56.99 2.96 Favored 'General case' 1 C--N 1.448 4.889 0 C-N-CA 127.297 2.239 . . . . 0.0 115.086 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.89 -33.59 15.57 Favored 'General case' 1 C--N 1.46 5.389 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 -172.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.65 -49.84 4.2 Favored Glycine 2 C--N 1.443 6.501 0 N-CA-C 117.437 1.735 . . . . 0.0 117.437 -173.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.581 0.3 OUTLIER 90.26 53.84 0.01 OUTLIER 'General case' 2 N--CA 1.568 5.461 0 C-N-CA 130.551 3.541 . . . . 0.0 116.359 -178.149 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.01 131.13 55.31 Favored 'General case' 0 C--N 1.419 3.593 0 C-N-CA 127.856 2.462 . . . . 0.0 111.175 170.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.14 153.97 24.97 Favored 'General case' 0 N--CA 1.525 3.305 0 C-N-CA 127.532 2.333 . . . . 0.0 110.328 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.3 p -56.39 -27.95 25.48 Favored 'Isoleucine or valine' 2 CA--C 1.655 5.001 0 C-N-CA 128.847 2.859 . . . . 0.0 115.79 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -91.91 9.22 33.89 Favored 'General case' 1 CA--C 1.673 5.71 0 C-N-CA 128.937 2.895 . . . . 0.0 112.419 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.257 1.4 m-20 -87.29 -31.08 20.41 Favored 'General case' 2 C--N 1.487 6.549 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -179.769 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.5 t 44.56 122.84 0.0 OUTLIER 'General case' 2 N--CA 1.592 6.641 0 C-N-CA 129.536 3.134 . . . . 0.0 116.113 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.492 HG21 HG13 ' A' ' 64' ' ' VAL . 15.6 mt -84.79 130.55 35.85 Favored 'Isoleucine or valine' 2 N--CA 1.559 4.976 0 C-N-CA 125.029 1.332 . . . . 0.0 110.55 -176.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.256 1.5 pt? -96.02 -46.03 6.67 Favored 'General case' 1 C--N 1.43 4.068 0 O-C-N 125.071 1.482 . . . . 0.0 112.082 168.109 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -132.99 135.94 45.77 Favored 'General case' 1 C--N 1.45 4.978 0 O-C-N 125.05 1.469 . . . . 0.0 113.273 -176.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.492 HG13 HG21 ' A' ' 61' ' ' ILE 0.514 0.5 OUTLIER -119.37 142.07 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.769 0 C-N-CA 124.438 1.095 . . . . 0.0 112.957 173.646 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.306 86.1 m-20 73.6 -81.2 0.03 OUTLIER 'General case' 3 N--CA 1.57 5.546 0 C-N-CA 128.822 2.849 . . . . 0.0 111.045 -176.547 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -156.4 9.01 0.23 Allowed 'General case' 2 CA--C 1.638 4.349 1 C-N-CA 133.812 4.845 . . . . 0.0 107.231 170.089 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.377 28.3 m -104.89 154.04 6.49 Favored 'Isoleucine or valine' 1 C--N 1.454 5.147 0 C-N-CA 128.407 2.683 . . . . 0.0 115.614 -166.637 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -89.26 110.58 21.34 Favored 'General case' 0 C--N 1.415 3.448 0 CA-C-N 111.272 -2.694 . . . . 0.0 111.397 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.499 20.2 m -103.06 -16.17 7.64 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.393 0 CA-C-N 111.467 -2.606 . . . . 0.0 116.263 176.625 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.38 39.0 ptt180 -50.89 -19.24 0.94 Allowed 'General case' 2 N--CA 1.586 6.347 0 N-CA-C 118.689 2.848 . . . . 0.0 118.689 -178.797 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -147.17 73.53 1.3 Allowed 'General case' 1 C--N 1.435 4.319 0 C-N-CA 128.219 2.608 . . . . 0.0 107.55 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.559 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.288 15.6 m -142.11 162.94 19.34 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.692 0 C-N-CA 127.355 2.262 . . . . 0.0 110.792 177.846 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 p -79.13 163.81 24.77 Favored 'General case' 1 N--CA 1.571 5.586 0 C-N-CA 126.789 2.036 . . . . 0.0 111.566 166.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.282 3.3 p80 -54.66 -50.67 67.64 Favored 'General case' 2 N--CA 1.597 6.902 0 C-N-CA 125.824 1.649 . . . . 0.0 114.488 176.889 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.0 m -58.73 -35.56 72.9 Favored 'General case' 2 N--CA 1.565 5.284 0 C-N-CA 126.95 2.1 . . . . 0.0 113.58 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.08 61.86 Favored 'General case' 1 C--N 1.456 5.213 0 C-N-CA 128.706 2.803 . . . . 0.0 114.375 174.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.04 -29.64 18.26 Favored 'General case' 1 C--N 1.461 5.446 0 C-N-CA 126.711 2.004 . . . . 0.0 112.994 175.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.4 t -75.25 -41.58 43.9 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.843 0 C-N-CA 127.776 2.431 . . . . 0.0 110.162 172.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.85 -23.92 66.58 Favored 'General case' 2 N--CA 1.596 6.859 0 C-N-CA 128.898 2.879 . . . . 0.0 115.612 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.96 -28.57 61.56 Favored 'General case' 0 C--N 1.426 3.909 0 C-N-CA 127.089 2.155 . . . . 0.0 111.823 168.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.505 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.254 12.0 mt -93.01 -34.03 13.89 Favored 'General case' 1 C--N 1.453 5.099 0 C-N-CA 127.263 2.225 . . . . 0.0 115.758 179.624 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -83.65 -36.2 24.0 Favored 'General case' 1 N--CA 1.546 4.36 0 C-N-CA 128.115 2.566 . . . . 0.0 113.203 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.267 40.6 mt-10 -87.93 -18.99 27.92 Favored 'General case' 2 N--CA 1.592 6.66 0 N-CA-C 119.601 3.185 . . . . 0.0 119.601 -177.537 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.47 -23.15 62.49 Favored 'General case' 3 N--CA 1.59 6.545 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.9 -34.91 5.38 Favored Glycine 1 C--N 1.425 5.49 0 N-CA-C 119.979 2.751 . . . . 0.0 119.979 165.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.5 t -172.59 -30.55 0.01 OUTLIER 'General case' 1 N--CA 1.567 5.388 0 C-N-CA 128.193 2.597 . . . . 0.0 111.147 -173.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.274 24.7 mm -124.25 124.26 68.26 Favored 'Isoleucine or valine' 1 C--N 1.439 4.466 0 C-N-CA 125.61 1.564 . . . . 0.0 109.578 -178.639 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.378 19.7 m -125.12 122.34 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.855 0 C-N-CA 127.666 2.387 . . . . 0.0 112.8 178.583 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.433 33.8 ptt180 -114.68 105.78 13.45 Favored 'General case' 1 N--CA 1.552 4.673 0 C-N-CA 126.201 1.801 . . . . 0.0 115.157 -177.578 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.26 137.66 35.01 Favored 'General case' 0 N--CA 1.531 3.61 0 C-N-CA 128.2 2.6 . . . . 0.0 114.543 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -117.38 110.88 18.58 Favored 'General case' 1 C--O 1.312 4.388 0 C-N-CA 126.372 1.869 . . . . 0.0 111.003 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 27.2 m -105.83 159.77 5.86 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.449 0 O-C-N 127.001 2.688 . . . . 0.0 114.908 -176.699 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.286 23.7 ptm -127.0 119.63 27.11 Favored 'General case' 1 N--CA 1.565 5.32 0 C-N-CA 127.817 2.447 . . . . 0.0 114.51 -175.464 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -119.19 127.29 53.16 Favored 'General case' 0 C--N 1.417 3.521 0 C-N-CA 127.25 2.22 . . . . 0.0 107.986 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -84.25 136.11 34.07 Favored 'General case' 1 N--CA 1.553 4.694 0 C-N-CA 126.406 1.882 . . . . 0.0 115.966 -176.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.301 0.0 OUTLIER -62.24 121.35 65.75 Favored Pre-proline 2 CA--C 1.671 5.61 0 C-N-CA 128.008 2.523 . . . . 0.0 117.123 179.355 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -75.54 144.03 28.06 Favored 'Trans proline' 3 C--N 1.546 10.959 0 C-N-CA 123.481 2.787 . . . . 0.0 116.027 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -68.9 132.06 23.87 Favored 'Trans proline' 3 C--N 1.55 11.155 0 C-N-CA 123.776 2.984 . . . . 0.0 116.59 177.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.43 4.076 0 C-N-CA 126.594 1.957 . . . . 0.0 112.79 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.581 HG23 ' HA ' ' A' ' 32' ' ' ILE 0.364 9.6 p . . . . . 0 CA--C 1.599 2.863 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.35 7.9 p -99.43 -43.72 11.46 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.149 0 C-N-CA 126.761 2.025 . . . . 0.0 114.642 -175.133 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 30' ' ' PRO . 69.7 m -150.42 121.6 7.78 Favored 'General case' 2 N--CA 1.56 5.072 0 C-N-CA 124.942 1.297 . . . . 0.0 112.718 -170.739 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.252 3.9 tt0 -149.86 123.14 8.96 Favored 'General case' 2 C--N 1.44 4.522 0 C-N-CA 125.022 1.329 . . . . 0.0 113.168 173.657 . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -121.68 83.39 2.08 Favored 'General case' 0 CA--C 1.624 3.791 0 CA-C-N 112.303 -2.226 . . . . 0.0 105.329 166.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' A' ' 24' ' ' ALA 0.509 11.1 tp -97.45 69.5 0.46 Allowed 'Isoleucine or valine' 2 C--N 1.435 4.294 0 CA-C-O 123.116 1.436 . . . . 0.0 112.723 -177.924 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 76.3 p -120.09 20.27 12.11 Favored 'General case' 2 N--CA 1.563 5.186 0 CA-C-N 110.365 -3.107 . . . . 0.0 114.306 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.46 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 55.1 m -84.27 -168.67 2.26 Favored 'General case' 3 CA--C 1.65 4.817 0 C-N-CA 127.192 2.197 . . . . 0.0 114.997 -174.058 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 N--CA 1.555 4.817 0 C-N-CA 126.965 2.106 . . . . 0.0 109.378 -173.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.544 0 CA-C-O 119.459 -0.634 . . . . 0.0 112.905 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.81 145.97 28.96 Favored 'General case' 0 N--CA 1.538 3.946 0 C-N-CA 126.331 1.852 . . . . 0.0 114.123 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.715 20.9 mmt 75.4 108.63 0.07 Allowed 'General case' 2 C--N 1.441 4.569 0 C-N-CA 129.964 3.305 . . . . 0.0 118.523 -179.115 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.3 10.3 pt-20 -120.63 159.23 25.71 Favored 'General case' 0 N--CA 1.536 3.842 0 C-N-CA 128.873 2.869 . . . . 0.0 114.77 -175.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.329 26.1 ptt? -77.53 163.92 25.86 Favored 'General case' 2 N--CA 1.549 4.506 0 C-N-CA 127.39 2.276 . . . . 0.0 114.355 177.28 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -113.65 121.7 44.93 Favored 'General case' 1 N--CA 1.55 4.541 0 C-N-CA 125.91 1.684 . . . . 0.0 112.478 -170.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -107.07 144.55 33.59 Favored 'General case' 1 N--CA 1.548 4.448 0 C-N-CA 126.121 1.769 . . . . 0.0 113.237 -176.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -128.58 132.81 48.23 Favored 'General case' 1 C--N 1.437 4.384 0 C-N-CA 124.87 1.268 . . . . 0.0 110.892 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.292 11.6 pt-20 -106.7 113.44 26.94 Favored 'General case' 0 C--N 1.419 3.608 0 C-N-CA 126.469 1.908 . . . . 0.0 112.648 176.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -112.8 139.48 37.63 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.589 0 C-N-CA 124.738 1.215 . . . . 0.0 108.921 -179.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.9 m -120.21 121.55 38.99 Favored 'General case' 0 N--CA 1.529 3.524 0 C-N-CA 125.662 1.585 . . . . 0.0 108.704 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.9 mt -114.67 141.67 47.49 Favored 'General case' 0 N--CA 1.518 2.941 0 C-N-CA 127.302 2.241 . . . . 0.0 112.417 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -91.5 129.53 37.47 Favored 'General case' 2 CA--C 1.639 4.385 0 C-N-CA 127.16 2.184 . . . . 0.0 106.379 166.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -64.38 114.92 4.61 Favored 'General case' 1 N--CA 1.54 4.06 0 C-N-CA 128.448 2.699 . . . . 0.0 116.174 -174.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.93 159.43 37.76 Favored Glycine 2 C--N 1.423 5.365 0 CA-C-N 113.033 -1.894 . . . . 0.0 116.162 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -76.39 -22.32 54.93 Favored 'General case' 1 N--CA 1.569 5.525 0 C-N-CA 127.015 2.126 . . . . 0.0 115.228 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.3 m -94.55 -21.7 18.69 Favored 'General case' 1 C--N 1.438 4.417 0 C-N-CA 126.569 1.948 . . . . 0.0 114.727 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.42 45.89 0.77 Allowed Glycine 1 C--N 1.465 7.702 0 C-N-CA 124.495 1.045 . . . . 0.0 111.289 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD12 HG12 ' B' ' 9' ' ' VAL 0.572 3.0 mt 70.06 -83.59 0.03 OUTLIER 'General case' 1 C--N 1.438 4.44 0 C-N-CA 131.549 3.94 . . . . 0.0 115.52 -178.292 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.73 33.87 0.02 OUTLIER Glycine 0 C--N 1.387 3.405 0 C-N-CA 125.363 1.459 . . . . 0.0 113.947 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -158.57 168.43 26.92 Favored 'General case' 1 C--N 1.452 5.045 0 C-N-CA 128.057 2.543 . . . . 0.0 109.882 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -135.42 141.36 45.43 Favored 'General case' 1 C--N 1.452 5.024 0 C-N-CA 124.906 1.282 . . . . 0.0 110.55 168.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.469 2.4 pp -117.04 126.23 74.33 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.412 0 N-CA-C 119.133 3.012 . . . . 0.0 119.133 -173.302 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.17 117.52 34.96 Favored 'General case' 1 C--N 1.432 4.162 0 CA-C-N 113.281 -1.782 . . . . 0.0 110.7 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.07 158.47 28.38 Favored Glycine 1 N--CA 1.519 4.19 0 C-N-CA 125.682 1.61 . . . . 0.0 113.432 -175.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.97 140.24 3.4 Favored Glycine 1 C--N 1.41 4.68 0 N-CA-C 119.667 2.627 . . . . 0.0 119.667 -173.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.278 5.5 p -100.62 -40.13 7.55 Favored 'General case' 1 N--CA 1.551 4.612 0 C-N-CA 126.004 1.722 . . . . 0.0 112.782 162.763 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.422 2.0 p30 -107.14 -28.33 10.03 Favored 'General case' 1 C--N 1.443 4.669 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 174.188 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -100.6 101.73 16.4 Favored Pre-proline 2 CA--C 1.653 4.932 0 C-N-CA 126.52 1.928 . . . . 0.0 112.853 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -77.32 160.22 32.58 Favored 'Trans proline' 3 C--N 1.55 11.155 0 C-N-CA 123.761 2.974 . . . . 0.0 117.576 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -110.4 -54.09 2.62 Favored 'General case' 0 C--N 1.427 3.935 0 C-N-CA 127.011 2.124 . . . . 0.0 111.551 172.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.378 5.0 tp -113.92 -30.46 2.13 Favored 'Isoleucine or valine' 1 CA--C 1.649 4.781 0 C-N-CA 125.907 1.683 . . . . 0.0 115.288 -168.843 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.78 62.64 0.01 OUTLIER Glycine 1 C--N 1.401 4.15 0 C-N-CA 125.6 1.572 . . . . 0.0 114.43 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.451 9.3 m-20 60.17 66.69 0.93 Allowed 'General case' 2 N--CA 1.575 5.788 0 C-N-CA 129.831 3.252 . . . . 0.0 115.261 -179.915 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.87 128.89 24.65 Favored Pre-proline 1 CA--C 1.639 4.383 0 CA-C-N 112.211 -2.268 . . . . 0.0 114.768 -177.039 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -73.08 -23.07 18.66 Favored 'Trans proline' 3 C--N 1.553 11.338 0 C-N-CA 124.208 3.272 . . . . 0.0 118.683 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.2 p -81.66 142.87 32.33 Favored 'General case' 2 N--CA 1.556 4.839 0 C-N-CA 126.921 2.088 . . . . 0.0 115.066 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.286 1.0 OUTLIER -95.18 108.73 21.31 Favored 'Isoleucine or valine' 3 C--N 1.444 4.714 0 C-N-CA 125.785 1.634 . . . . 0.0 109.403 -176.789 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -114.16 148.78 36.69 Favored 'General case' 0 N--CA 1.532 3.664 0 C-N-CA 129.097 2.959 . . . . 0.0 111.646 -170.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -85.88 142.63 12.89 Favored 'Isoleucine or valine' 2 C--N 1.438 4.425 0 C-N-CA 126.455 1.902 . . . . 0.0 110.376 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.3 m -138.82 -39.86 0.5 Allowed 'General case' 0 N--CA 1.529 3.488 0 C-N-CA 127.468 2.307 . . . . 0.0 109.79 -170.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -126.18 130.87 51.84 Favored 'General case' 1 C--N 1.459 5.347 0 O-C-N 124.292 0.995 . . . . 0.0 111.13 -175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.63 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 46.7 mm -124.52 127.16 72.79 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.27 0 C-N-CA 126.723 2.009 . . . . 0.0 108.515 174.332 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.31 3.3 mp -81.47 130.46 61.85 Favored Pre-proline 2 CA--C 1.68 5.961 0 C-N-CA 126.353 1.861 . . . . 0.0 111.307 173.567 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.56 -22.8 64.71 Favored 'Trans proline' 3 C--N 1.54 10.627 0 C-N-CA 124.3 3.333 . . . . 0.0 117.657 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.94 39.3 1.84 Allowed Glycine 1 C--N 1.428 5.691 0 CA-C-O 118.15 -1.361 . . . . 0.0 115.642 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.1 -177.36 40.62 Favored Glycine 2 C--N 1.442 6.457 0 C-N-CA 125.595 1.569 . . . . 0.0 116.458 175.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.62 -39.28 27.74 Favored 'General case' 0 N--CA 1.535 3.823 0 C-N-CA 129.312 3.045 . . . . 0.0 115.026 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.7 -25.41 35.51 Favored 'General case' 2 C--N 1.447 4.848 0 C-N-CA 126.951 2.1 . . . . 0.0 116.141 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.82 -41.52 18.97 Favored 'General case' 1 C--N 1.446 4.761 0 C-N-CA 127.127 2.171 . . . . 0.0 113.655 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -90.94 -56.35 3.21 Favored 'General case' 1 C--N 1.452 5.064 0 C-N-CA 127.187 2.195 . . . . 0.0 114.953 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.1 -33.26 15.54 Favored 'General case' 2 C--N 1.46 5.388 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 -173.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.41 -48.01 4.69 Favored Glycine 2 C--N 1.438 6.242 0 N-CA-C 117.771 1.868 . . . . 0.0 117.771 -173.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.526 98.0 mtt180 89.75 53.54 0.01 OUTLIER 'General case' 2 N--CA 1.582 6.144 0 C-N-CA 130.567 3.547 . . . . 0.0 116.012 -178.793 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -111.43 132.09 54.72 Favored 'General case' 0 C--N 1.421 3.692 0 C-N-CA 127.121 2.168 . . . . 0.0 112.377 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.57 153.72 25.86 Favored 'General case' 0 N--CA 1.526 3.355 0 C-N-CA 128.095 2.558 . . . . 0.0 110.2 169.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -56.89 -25.48 22.23 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.189 0 C-N-CA 128.432 2.693 . . . . 0.0 116.097 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.93 8.82 35.68 Favored 'General case' 1 CA--C 1.666 5.404 0 C-N-CA 128.879 2.872 . . . . 0.0 112.788 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.1 -32.87 24.51 Favored 'General case' 2 C--N 1.486 6.543 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t 45.78 121.89 0.0 OUTLIER 'General case' 2 N--CA 1.598 6.962 0 C-N-CA 129.662 3.185 . . . . 0.0 115.865 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.419 HG21 HG13 ' A' ' 64' ' ' VAL . 16.6 mt -84.77 130.91 35.24 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.243 0 C-N-CA 125.283 1.433 . . . . 0.0 110.829 -176.457 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.263 1.5 pt? -97.56 -45.45 6.4 Favored 'General case' 0 C--N 1.422 3.744 0 CA-C-N 114.366 -1.288 . . . . 0.0 112.279 167.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -132.22 134.57 45.49 Favored 'General case' 1 C--N 1.448 4.85 0 O-C-N 125.01 1.444 . . . . 0.0 113.084 -176.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.419 HG13 HG21 ' A' ' 61' ' ' ILE 0.421 0.0 OUTLIER -120.35 134.63 63.21 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.428 0 C-N-CA 124.801 1.24 . . . . 0.0 111.255 173.819 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 75.31 -10.22 1.27 Allowed 'General case' 2 N--CA 1.606 7.374 0 C-N-CA 129.013 2.925 . . . . 0.0 114.536 -176.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.416 46.8 mt-10 95.83 6.62 0.03 OUTLIER 'General case' 3 N--CA 1.58 6.041 1 C-N-CA 132.039 4.135 . . . . 0.0 111.661 -159.299 . . . . . . . . 4 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.398 30.1 m -94.62 153.38 3.47 Favored 'Isoleucine or valine' 1 C--N 1.467 5.675 0 C-N-CA 127.381 2.272 . . . . 0.0 113.842 178.382 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.444 4.4 p-10 -83.62 101.81 11.75 Favored 'General case' 0 C--N 1.41 3.208 0 C-N-CA 127.264 2.226 . . . . 0.0 115.762 -172.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.456 25.7 m -100.55 -3.77 9.39 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.315 0 CA-C-N 112.611 -2.086 . . . . 0.0 115.312 175.678 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.297 38.3 ptt180 -47.48 -27.55 1.8 Allowed 'General case' 2 N--CA 1.58 6.067 0 C-N-CA 128.762 2.825 . . . . 0.0 117.744 179.149 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -151.02 80.11 1.32 Allowed 'General case' 1 C--N 1.442 4.593 0 C-N-CA 129.854 3.261 . . . . 0.0 108.69 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 18.7 m -142.98 162.37 17.43 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.642 0 C-N-CA 126.852 2.061 . . . . 0.0 110.579 178.105 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.1 164.47 25.66 Favored 'General case' 1 N--CA 1.57 5.569 0 C-N-CA 126.606 1.962 . . . . 0.0 112.217 167.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.271 6.7 p80 -51.27 -54.06 29.56 Favored 'General case' 2 N--CA 1.596 6.868 0 C-N-CA 126.441 1.896 . . . . 0.0 114.253 176.178 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.9 m -60.22 -36.64 78.16 Favored 'General case' 2 N--CA 1.565 5.302 0 C-N-CA 126.816 2.046 . . . . 0.0 113.494 177.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.54 -22.7 63.54 Favored 'General case' 1 C--N 1.455 5.194 0 C-N-CA 128.639 2.776 . . . . 0.0 114.266 174.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -33.98 15.76 Favored 'General case' 1 C--N 1.463 5.536 0 C-N-CA 126.648 1.979 . . . . 0.0 112.727 175.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.0 t -73.2 -41.91 58.31 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.564 0 C-N-CA 127.536 2.335 . . . . 0.0 111.225 176.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -57.78 -30.42 65.64 Favored 'General case' 2 N--CA 1.562 5.15 0 C-N-CA 128.874 2.87 . . . . 0.0 114.812 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.67 -29.11 67.51 Favored 'General case' 1 C--N 1.449 4.905 0 C-N-CA 127.428 2.291 . . . . 0.0 113.092 171.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.01 -29.57 16.53 Favored 'General case' 2 C--N 1.444 4.706 0 C-N-CA 127.375 2.27 . . . . 0.0 114.003 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -85.11 -28.32 25.66 Favored 'General case' 0 C--N 1.424 3.824 0 C-N-CA 127.589 2.356 . . . . 0.0 113.979 174.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.409 9.8 pt-20 -73.81 -44.08 56.89 Favored 'General case' 2 N--CA 1.583 6.194 0 N-CA-C 119.804 3.261 . . . . 0.0 119.804 178.047 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.33 -21.64 9.96 Favored 'General case' 2 C--N 1.45 4.971 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 -172.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.63 -34.77 4.2 Favored Glycine 1 C--N 1.42 5.201 0 N-CA-C 120.592 2.997 . . . . 0.0 120.592 167.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -162.05 -32.7 0.04 OUTLIER 'General case' 1 N--CA 1.544 4.246 0 C-N-CA 126.843 2.057 . . . . 0.0 113.596 -169.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.601 ' CA ' ' CB ' ' A' ' 87' ' ' ILE 0.287 45.0 mm -130.36 108.76 16.21 Favored 'Isoleucine or valine' 0 C--N 1.426 3.917 0 C-N-CA 126.664 1.986 . . . . 0.0 108.94 -175.047 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.258 0.0 OUTLIER -113.79 118.94 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.474 0 O-C-N 125.774 1.921 . . . . 0.0 112.422 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.496 ' HB3' HG23 ' A' ' 11' ' ' THR 0.423 37.6 ptt180 -111.42 99.93 8.61 Favored 'General case' 1 N--CA 1.558 4.97 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -176.4 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.94 139.35 30.62 Favored 'General case' 0 N--CA 1.53 3.559 0 C-N-CA 128.092 2.557 . . . . 0.0 113.934 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -119.91 112.32 19.05 Favored 'General case' 1 C--O 1.315 4.518 0 C-N-CA 126.802 2.041 . . . . 0.0 110.75 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.277 33.7 m -106.88 158.7 6.79 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.962 0 O-C-N 127.014 2.696 . . . . 0.0 115.299 -175.371 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.314 25.4 ptt? -124.76 116.94 23.11 Favored 'General case' 1 N--CA 1.562 5.136 0 C-N-CA 127.87 2.468 . . . . 0.0 114.625 -175.117 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -118.09 155.02 31.11 Favored 'General case' 0 N--CA 1.522 3.164 0 C-N-CA 128.594 2.758 . . . . 0.0 110.48 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -88.65 143.15 27.13 Favored 'General case' 1 N--CA 1.543 4.223 0 C-N-CA 126.934 2.094 . . . . 0.0 114.044 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.321 50.6 pttt -46.94 138.57 7.25 Favored Pre-proline 2 N--CA 1.576 5.856 0 C-N-CA 129.738 3.215 . . . . 0.0 117.144 -178.121 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -40.85 116.61 0.43 Allowed 'Trans proline' 3 C--N 1.563 11.828 1 C-N-CA 125.746 4.297 . . . . 0.0 120.466 -171.3 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -73.63 -31.56 8.55 Favored 'Trans proline' 3 C--N 1.551 11.217 0 C-N-CA 123.858 3.039 . . . . 0.0 117.431 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.45 4.952 0 C-N-CA 126.588 1.955 . . . . 0.0 112.874 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.395 10.4 p . . . . . 0 CA--C 1.624 3.805 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.297 7.2 m -105.85 18.37 5.41 Favored 'Isoleucine or valine' 2 N--CA 1.559 4.976 0 C-N-CA 127.54 2.336 . . . . 0.0 112.084 173.886 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -72.81 158.09 36.23 Favored 'General case' 1 C--N 1.448 4.869 0 C-N-CA 130.237 3.415 . . . . 0.0 116.177 -172.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -52.66 -173.82 0.0 OUTLIER 'General case' 2 CA--C 1.67 5.593 1 C-N-CA 135.536 5.534 . . . . 0.0 116.423 171.555 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.271 16.7 ptm180 -71.05 -36.06 72.17 Favored 'General case' 3 N--CA 1.556 4.872 0 C-N-CA 127.658 2.383 . . . . 0.0 114.705 173.558 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 1.594 ' CA ' ' CB ' ' B' ' 6' ' ' ILE 0.665 10.4 tp 53.64 66.26 0.17 Allowed 'Isoleucine or valine' 3 N--CA 1.578 5.944 0 C-N-CA 129.793 3.237 . . . . 0.0 116.722 177.13 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 73.5 m -124.18 25.63 7.74 Favored 'General case' 2 N--CA 1.554 4.75 0 C-N-CA 128.224 2.61 . . . . 0.0 111.841 177.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.421 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 66.3 m -76.92 -174.14 2.98 Favored 'General case' 3 N--CA 1.55 4.562 0 C-N-CA 128.584 2.754 . . . . 0.0 115.037 -174.055 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 1.56 ' CA ' ' CB ' ' B' ' 9' ' ' VAL 0.251 3.1 t . . . . . 2 C--N 1.446 4.8 0 C-N-CA 126.006 1.722 . . . . 0.0 107.931 -176.708 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.466 0 CA-C-O 119.523 -0.598 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.65 130.28 55.61 Favored 'General case' 0 N--CA 1.537 3.901 0 C-N-CA 126.476 1.91 . . . . 0.0 112.965 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.2 mmt -114.09 141.06 47.94 Favored 'General case' 2 N--CA 1.54 4.056 0 C-N-CA 126.087 1.755 . . . . 0.0 114.631 177.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.386 11.6 pt-20 -112.84 158.33 20.28 Favored 'General case' 0 N--CA 1.533 3.701 0 C-N-CA 127.112 2.165 . . . . 0.0 115.574 -178.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.5 ptp -107.59 162.8 13.63 Favored 'General case' 1 CA--C 1.632 4.109 0 C-N-CA 128.783 2.833 . . . . 0.0 113.604 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.338 10.6 pt-20 -128.7 120.65 26.88 Favored 'General case' 1 N--CA 1.55 4.534 0 C-N-CA 127.395 2.278 . . . . 0.0 112.656 -179.348 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -102.05 143.16 32.25 Favored 'General case' 1 N--CA 1.551 4.593 0 C-N-CA 125.864 1.666 . . . . 0.0 113.098 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.02 132.57 50.72 Favored 'General case' 1 C--N 1.435 4.308 0 C-N-CA 124.56 1.144 . . . . 0.0 111.003 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -105.54 114.18 28.2 Favored 'General case' 0 C--N 1.42 3.639 0 C-N-CA 126.566 1.946 . . . . 0.0 112.815 176.164 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -112.83 138.92 40.42 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.633 0 C-N-CA 124.805 1.242 . . . . 0.0 108.937 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.534 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.5 m -118.71 120.09 36.37 Favored 'General case' 0 N--CA 1.53 3.549 0 C-N-CA 125.506 1.522 . . . . 0.0 108.957 175.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.1 mt -116.28 145.93 42.78 Favored 'General case' 0 N--CA 1.524 3.241 0 C-N-CA 127.366 2.266 . . . . 0.0 112.421 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.285 11.3 pt-20 -103.63 123.8 47.66 Favored 'General case' 0 C--N 1.42 3.673 0 C-N-CA 125.698 1.599 . . . . 0.0 109.845 167.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -52.45 111.24 0.61 Allowed 'General case' 1 N--CA 1.559 4.981 0 C-N-CA 129.971 3.308 . . . . 0.0 114.057 -169.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 157.81 52.98 Favored Glycine 2 N--CA 1.55 6.285 0 N-CA-C 117.89 1.916 . . . . 0.0 117.89 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.307 7.6 p30 -69.15 -31.28 69.83 Favored 'General case' 1 N--CA 1.573 5.713 0 C-N-CA 127.347 2.259 . . . . 0.0 115.859 179.763 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.4 p -95.4 -20.55 19.01 Favored 'General case' 1 CA--C 1.631 4.082 0 C-N-CA 127.258 2.223 . . . . 0.0 113.688 172.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.62 60.45 0.43 Allowed Glycine 1 C--N 1.452 6.978 0 C-N-CA 125.753 1.644 . . . . 0.0 111.695 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.55 3.1 mm? 65.29 -89.73 0.03 OUTLIER 'General case' 1 C--N 1.447 4.821 0 C-N-CA 129.71 3.204 . . . . 0.0 115.856 -173.491 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . 154.56 38.74 0.02 OUTLIER Glycine 0 C--N 1.397 3.96 0 C-N-CA 125.662 1.601 . . . . 0.0 113.945 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -156.73 166.37 33.57 Favored 'General case' 1 C--N 1.44 4.525 0 C-N-CA 129.207 3.003 . . . . 0.0 109.022 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 73.7 m -132.68 145.04 50.73 Favored 'General case' 1 C--N 1.441 4.568 0 C-N-CA 125.175 1.39 . . . . 0.0 110.705 169.47 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.528 2.2 pp -121.95 127.14 75.3 Favored 'Isoleucine or valine' 2 N--CA 1.579 6.015 0 N-CA-C 119.359 3.096 . . . . 0.0 119.359 -175.475 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.9 117.99 35.41 Favored 'General case' 1 C--N 1.429 4.026 0 CA-C-N 113.782 -1.553 . . . . 0.0 111.525 -177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.8 157.77 26.28 Favored Glycine 0 N--CA 1.512 3.754 0 C-N-CA 125.564 1.554 . . . . 0.0 113.713 -175.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.09 153.8 10.53 Favored Glycine 2 N--CA 1.518 4.122 0 N-CA-C 117.689 1.836 . . . . 0.0 117.689 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 11.5 p -106.06 -44.78 4.5 Favored 'General case' 1 N--CA 1.56 5.041 0 C-N-CA 126.194 1.798 . . . . 0.0 113.014 166.506 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -102.24 -32.36 10.1 Favored 'General case' 1 C--N 1.431 4.134 0 C-N-CA 126.486 1.915 . . . . 0.0 113.133 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -100.66 105.07 35.22 Favored Pre-proline 2 CA--C 1.653 4.927 0 C-N-CA 126.902 2.081 . . . . 0.0 111.413 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -76.2 157.63 37.71 Favored 'Trans proline' 3 C--N 1.541 10.67 0 C-N-CA 123.657 2.905 . . . . 0.0 118.836 -177.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -104.67 -57.5 2.02 Favored 'General case' 0 CA--C 1.625 3.837 0 C-N-CA 128.637 2.775 . . . . 0.0 111.09 173.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.265 1.6 tp -98.59 -31.37 3.64 Favored 'Isoleucine or valine' 1 CA--C 1.656 5.022 0 C-N-CA 127.878 2.471 . . . . 0.0 113.375 -172.088 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.36 -61.33 0.18 Allowed Glycine 0 C--N 1.389 3.482 0 C-N-CA 126.941 2.21 . . . . 0.0 113.765 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -167.45 80.69 0.2 Allowed 'General case' 1 N--CA 1.556 4.825 0 C-N-CA 130.128 3.371 . . . . 0.0 107.641 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -98.3 138.95 20.9 Favored Pre-proline 1 CA--C 1.655 4.989 0 C-N-CA 127.2 2.2 . . . . 0.0 116.608 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -80.45 -33.48 0.97 Allowed 'Trans proline' 3 C--N 1.55 11.162 0 C-N-CA 123.539 2.826 . . . . 0.0 117.713 171.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.9 p -97.9 154.16 17.85 Favored 'General case' 2 N--CA 1.553 4.721 0 C-N-CA 127.047 2.139 . . . . 0.0 115.171 -174.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.552 ' CB ' ' CA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -97.06 133.36 38.91 Favored 'Isoleucine or valine' 3 C--N 1.448 4.869 0 C-N-CA 126.474 1.91 . . . . 0.0 109.555 -179.052 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -129.22 156.51 43.84 Favored 'General case' 1 N--CA 1.552 4.664 0 C-N-CA 127.448 2.299 . . . . 0.0 112.195 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -89.03 144.35 9.28 Favored 'Isoleucine or valine' 2 C--N 1.458 5.3 0 C-N-CA 126.1 1.76 . . . . 0.0 109.067 168.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.327 11.5 p -147.36 -25.54 0.38 Allowed 'General case' 1 N--CA 1.556 4.875 0 C-N-CA 127.375 2.27 . . . . 0.0 113.551 -179.168 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.2 tmtm? -126.79 126.88 44.14 Favored 'General case' 1 C--N 1.477 6.117 0 C-N-CA 123.116 0.567 . . . . 0.0 111.277 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.598 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.275 43.5 mm -123.29 130.3 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.617 3.531 0 C-N-CA 126.926 2.09 . . . . 0.0 108.636 173.566 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.295 3.1 mp -83.5 132.45 49.51 Favored Pre-proline 2 CA--C 1.679 5.925 0 C-N-CA 126.56 1.944 . . . . 0.0 110.886 173.595 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.95 -22.36 62.85 Favored 'Trans proline' 3 C--N 1.538 10.519 0 C-N-CA 124.203 3.269 . . . . 0.0 117.678 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.93 39.35 1.83 Allowed Glycine 1 C--N 1.428 5.69 0 CA-C-O 118.071 -1.405 . . . . 0.0 115.806 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -94.22 -177.64 38.93 Favored Glycine 2 C--N 1.441 6.395 0 C-N-CA 125.467 1.508 . . . . 0.0 116.519 174.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.81 -38.18 28.85 Favored 'General case' 0 N--CA 1.535 3.791 0 C-N-CA 129.118 2.967 . . . . 0.0 115.21 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.52 -23.26 37.4 Favored 'General case' 2 C--N 1.448 4.876 0 C-N-CA 126.829 2.052 . . . . 0.0 116.037 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.97 -41.02 15.24 Favored 'General case' 1 C--N 1.443 4.663 0 C-N-CA 127.047 2.139 . . . . 0.0 113.598 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -90.57 -56.23 3.27 Favored 'General case' 1 C--N 1.448 4.867 0 C-N-CA 127.062 2.145 . . . . 0.0 114.531 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.1 -31.14 16.36 Favored 'General case' 1 C--N 1.459 5.369 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.06 -49.88 3.64 Favored Glycine 2 C--N 1.44 6.349 0 N-CA-C 117.874 1.909 . . . . 0.0 117.874 -173.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.543 8.5 mpt_? 88.95 52.27 0.01 OUTLIER 'General case' 2 N--CA 1.576 5.833 0 C-N-CA 130.553 3.541 . . . . 0.0 116.329 -178.021 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -111.59 129.38 56.09 Favored 'General case' 0 C--N 1.422 3.72 0 C-N-CA 127.311 2.245 . . . . 0.0 112.528 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -112.03 157.84 20.26 Favored 'General case' 0 N--CA 1.532 3.636 0 C-N-CA 128.123 2.569 . . . . 0.0 110.627 170.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.578 HG13 HG12 ' A' ' 43' ' ' ILE 0.278 3.1 m -51.39 -30.4 10.54 Favored 'Isoleucine or valine' 1 N--CA 1.634 8.731 0 C-N-CA 127.718 2.407 . . . . 0.0 116.187 175.645 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.283 9.7 p30 -90.36 8.15 34.97 Favored 'General case' 1 CA--C 1.653 4.909 0 C-N-CA 128.672 2.789 . . . . 0.0 113.724 -178.068 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.08 -34.96 16.57 Favored 'General case' 2 C--N 1.488 6.62 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.269 67.2 m 43.93 120.22 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.681 0 C-N-CA 129.361 3.065 . . . . 0.0 117.07 177.082 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.54 HG21 HG23 ' A' ' 64' ' ' VAL 0.25 15.0 mt -82.47 131.68 33.19 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.15 0 C-N-CA 125.171 1.389 . . . . 0.0 111.038 -175.959 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -97.3 -44.77 6.76 Favored 'General case' 1 C--N 1.429 4.057 0 O-C-N 125.217 1.573 . . . . 0.0 112.505 167.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -133.42 130.3 38.5 Favored 'General case' 1 C--N 1.445 4.722 0 O-C-N 125.161 1.538 . . . . 0.0 111.778 -175.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.54 HG23 HG21 ' A' ' 61' ' ' ILE 0.268 1.0 OUTLIER -119.67 139.89 45.49 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.914 0 CA-C-O 117.41 -1.281 . . . . 0.0 108.939 178.164 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 70.91 -5.37 1.51 Allowed 'General case' 2 N--CA 1.628 8.429 0 C-N-CA 126.794 2.038 . . . . 0.0 114.785 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.393 1.3 mp0 79.93 20.92 0.57 Allowed 'General case' 3 N--CA 1.586 6.374 0 C-N-CA 130.101 3.36 . . . . 0.0 111.589 -156.754 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 64' ' ' VAL 0.261 0.3 OUTLIER -106.24 148.43 10.65 Favored 'Isoleucine or valine' 1 C--N 1.449 4.923 0 C-N-CA 128.311 2.644 . . . . 0.0 109.962 -176.699 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.359 4.2 p-10 -82.87 97.49 8.68 Favored 'General case' 0 C--N 1.401 2.833 0 C-N-CA 127.335 2.254 . . . . 0.0 114.359 -174.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.425 24.0 m -90.71 -9.81 10.27 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.028 0 CA-C-N 112.733 -2.031 . . . . 0.0 114.512 173.737 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -46.14 -25.95 0.68 Allowed 'General case' 2 N--CA 1.597 6.887 0 C-N-CA 128.436 2.694 . . . . 0.0 116.93 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -153.79 76.54 1.07 Allowed 'General case' 2 C--N 1.448 4.876 0 C-N-CA 128.595 2.758 . . . . 0.0 108.009 177.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.579 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.281 18.0 m -138.7 166.15 23.23 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.68 0 C-N-CA 126.525 1.93 . . . . 0.0 109.497 175.001 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.6 p -79.71 162.74 25.01 Favored 'General case' 1 N--CA 1.556 4.838 0 C-N-CA 127.752 2.421 . . . . 0.0 110.969 168.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -47.98 -54.56 12.49 Favored 'General case' 3 N--CA 1.579 5.999 0 C-N-CA 128.616 2.766 . . . . 0.0 111.536 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -62.1 -30.1 70.78 Favored 'General case' 1 C--N 1.453 5.108 0 C-N-CA 127.123 2.169 . . . . 0.0 114.157 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.64 -19.83 51.7 Favored 'General case' 1 C--N 1.481 6.31 0 C-N-CA 126.511 1.924 . . . . 0.0 112.983 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.7 -37.01 15.86 Favored 'General case' 1 C--N 1.468 5.742 0 C-N-CA 126.403 1.881 . . . . 0.0 112.652 172.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -72.28 -41.51 65.93 Favored 'Isoleucine or valine' 3 N--CA 1.593 6.711 0 C-N-CA 126.968 2.107 . . . . 0.0 112.043 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.8 mt-10 -64.7 -18.13 64.72 Favored 'General case' 1 N--CA 1.601 7.125 0 C-N-CA 127.771 2.428 . . . . 0.0 114.819 177.377 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.25 -28.47 47.8 Favored 'General case' 1 CA--C 1.631 4.064 0 C-N-CA 126.663 1.985 . . . . 0.0 112.438 167.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.42 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.6 mt -92.49 -33.83 14.34 Favored 'General case' 2 C--N 1.461 5.416 0 C-N-CA 126.666 1.986 . . . . 0.0 116.211 178.522 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -85.6 -40.04 16.68 Favored 'General case' 0 N--CA 1.538 3.954 0 C-N-CA 127.155 2.182 . . . . 0.0 114.068 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.278 40.0 mt-10 -91.43 -12.95 33.23 Favored 'General case' 2 N--CA 1.581 6.08 0 N-CA-C 120.085 3.365 . . . . 0.0 120.085 -175.694 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.04 -24.76 41.49 Favored 'General case' 3 N--CA 1.605 7.279 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.82 -35.11 4.55 Favored Glycine 1 C--N 1.423 5.376 0 N-CA-C 118.215 2.046 . . . . 0.0 118.215 166.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.0 p -175.58 -33.44 0.01 OUTLIER 'General case' 2 N--CA 1.555 4.787 0 C-N-CA 129.07 2.948 . . . . 0.0 112.943 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.292 42.5 mm -121.87 115.9 47.74 Favored 'Isoleucine or valine' 1 C--N 1.43 4.074 0 C-N-CA 126.256 1.822 . . . . 0.0 109.064 -174.087 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -120.69 117.03 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.26 0 C-N-CA 127.611 2.364 . . . . 0.0 111.22 -177.715 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.534 ' HB3' HG23 ' A' ' 11' ' ' THR 0.41 35.5 ptt180 -113.93 100.24 8.27 Favored 'General case' 1 N--CA 1.559 4.986 0 C-N-CA 126.136 1.774 . . . . 0.0 115.587 -173.83 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.67 143.21 26.52 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.779 2.432 . . . . 0.0 114.175 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -122.75 113.59 19.4 Favored 'General case' 1 C--O 1.315 4.503 0 C-N-CA 127.356 2.262 . . . . 0.0 110.869 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 33.7 m -107.09 159.15 6.82 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.189 0 O-C-N 126.89 2.619 . . . . 0.0 115.308 -175.603 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.305 25.7 ptt? -126.33 117.38 22.87 Favored 'General case' 1 N--CA 1.565 5.309 0 C-N-CA 127.566 2.347 . . . . 0.0 114.409 -175.072 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.318 16.0 ptm180 -132.4 130.76 41.04 Favored 'General case' 1 N--CA 1.549 4.522 0 C-N-CA 126.805 2.042 . . . . 0.0 112.893 179.793 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -83.13 140.38 32.65 Favored 'General case' 1 N--CA 1.559 5.003 0 C-N-CA 126.57 1.948 . . . . 0.0 114.944 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -72.41 124.43 90.79 Favored Pre-proline 2 N--CA 1.562 5.126 0 C-N-CA 127.846 2.458 . . . . 0.0 114.974 -175.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -73.77 147.08 39.18 Favored 'Trans proline' 3 C--N 1.552 11.269 0 C-N-CA 123.778 2.986 . . . . 0.0 116.749 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.96 -31.47 24.08 Favored 'Trans proline' 3 C--N 1.551 11.194 0 C-N-CA 123.883 3.056 . . . . 0.0 117.597 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.447 4.807 0 C-N-CA 126.645 1.978 . . . . 0.0 112.865 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.5 1.7 m . . . . . 0 N--CA 1.534 3.727 0 N-CA-C 115.373 1.619 . . . . 0.0 115.373 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.31 5.4 m -110.74 -13.09 11.23 Favored 'Isoleucine or valine' 2 N--CA 1.559 4.997 0 C-N-CA 127.906 2.483 . . . . 0.0 116.047 -174.758 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 71.6 m -119.2 -4.78 10.48 Favored 'General case' 2 C--N 1.442 4.588 0 C-N-CA 126.35 1.86 . . . . 0.0 114.878 -171.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -93.51 147.82 22.64 Favored 'General case' 2 C--N 1.434 4.266 0 C-N-CA 127.378 2.271 . . . . 0.0 113.977 -172.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.261 13.8 ptp180 -118.77 -43.54 2.67 Favored 'General case' 0 CA--C 1.626 3.874 0 C-N-CA 128.47 2.708 . . . . 0.0 111.757 169.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.666 3.8 tt 54.44 83.62 0.05 OUTLIER 'Isoleucine or valine' 3 C--N 1.453 5.072 0 C-N-CA 131.181 3.792 . . . . 0.0 116.712 -177.933 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 73.6 m -117.7 22.1 12.55 Favored 'General case' 2 N--CA 1.571 5.578 0 C-N-CA 127.114 2.166 . . . . 0.0 113.397 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.6 m -96.24 179.71 4.95 Favored 'General case' 1 N--CA 1.546 4.34 0 C-N-CA 127.279 2.231 . . . . 0.0 115.987 -170.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 2 C--N 1.455 5.159 0 C-N-CA 127.654 2.381 . . . . 0.0 107.272 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.591 0 CA-C-O 119.538 -0.59 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.72 5.02 41.16 Favored 'General case' 2 N--CA 1.554 4.753 0 C-N-CA 126.42 1.888 . . . . 0.0 115.539 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.446 26.1 ptt? -99.2 -7.89 25.85 Favored 'General case' 2 N--CA 1.572 5.668 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -178.788 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.313 9.7 pt-20 -120.38 154.37 35.2 Favored 'General case' 0 N--CA 1.537 3.91 0 C-N-CA 129.027 2.931 . . . . 0.0 114.659 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.309 26.2 ptt? -74.31 158.68 33.57 Favored 'General case' 2 N--CA 1.557 4.922 0 C-N-CA 127.486 2.314 . . . . 0.0 114.109 176.821 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.379 11.2 pt-20 -119.17 123.1 43.53 Favored 'General case' 1 N--CA 1.554 4.735 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -169.354 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.11 142.99 35.92 Favored 'General case' 1 N--CA 1.545 4.287 0 C-N-CA 126.324 1.849 . . . . 0.0 112.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.95 135.15 50.49 Favored 'General case' 1 N--CA 1.539 4.002 0 C-N-CA 125.805 1.642 . . . . 0.0 113.891 -178.197 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.303 11.9 pt-20 -107.62 111.22 23.34 Favored 'General case' 0 C--N 1.426 3.898 0 C-N-CA 126.103 1.761 . . . . 0.0 112.571 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -112.48 141.84 26.77 Favored 'Isoleucine or valine' 2 N--CA 1.554 4.758 0 C-N-CA 125.021 1.329 . . . . 0.0 108.896 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.7 m -120.49 123.91 44.11 Favored 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 125.82 1.648 . . . . 0.0 109.021 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.5 141.55 49.09 Favored 'General case' 0 C--N 1.408 3.113 0 C-N-CA 127.602 2.361 . . . . 0.0 112.525 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -100.91 127.25 47.47 Favored 'General case' 1 N--CA 1.543 4.203 0 C-N-CA 126.596 1.958 . . . . 0.0 107.397 172.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -50.24 106.87 0.13 Allowed 'General case' 2 N--CA 1.566 5.346 0 C-N-CA 129.058 2.943 . . . . 0.0 113.683 -175.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.36 168.81 54.85 Favored Glycine 2 N--CA 1.538 5.476 0 N-CA-C 117.755 1.862 . . . . 0.0 117.755 -176.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.282 7.8 p30 -76.7 -26.81 55.13 Favored 'General case' 1 N--CA 1.561 5.113 0 C-N-CA 127.467 2.307 . . . . 0.0 115.958 -179.484 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -97.93 -21.18 17.01 Favored 'General case' 1 C--N 1.43 4.078 0 C-N-CA 126.8 2.04 . . . . 0.0 114.949 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 39.52 1.25 Allowed Glycine 1 C--N 1.459 7.383 0 C-N-CA 124.585 1.088 . . . . 0.0 112.562 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.541 8.1 mt 74.49 -29.79 0.2 Allowed 'General case' 2 N--CA 1.555 4.803 0 C-N-CA 130.911 3.684 . . . . 0.0 118.987 176.847 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.79 30.1 6.61 Favored Glycine 2 C--N 1.413 4.848 0 N-CA-C 117.156 1.622 . . . . 0.0 117.156 174.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -156.18 164.11 38.77 Favored 'General case' 1 C--N 1.441 4.557 0 C-N-CA 127.781 2.433 . . . . 0.0 109.896 176.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.608 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 61.2 m -133.8 144.03 48.74 Favored 'General case' 1 C--N 1.441 4.586 0 C-N-CA 125.447 1.499 . . . . 0.0 111.201 171.742 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.525 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.616 2.2 pp -118.36 131.83 69.98 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.419 0 N-CA-C 120.205 3.409 . . . . 0.0 120.205 -173.609 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.98 118.86 37.67 Favored 'General case' 1 C--N 1.455 5.171 0 C-N-CA 126.207 1.803 . . . . 0.0 110.989 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.56 157.1 28.05 Favored Glycine 0 C--N 1.391 3.595 0 O-C-N 124.807 1.317 . . . . 0.0 114.743 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.66 145.54 5.52 Favored Glycine 1 C--N 1.402 4.202 0 N-CA-C 118.068 1.987 . . . . 0.0 118.068 -174.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.252 11.6 p -102.78 -33.82 9.24 Favored 'General case' 1 N--CA 1.559 5.016 0 C-N-CA 126.073 1.749 . . . . 0.0 112.625 164.716 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -106.41 -34.06 7.54 Favored 'General case' 1 C--N 1.437 4.379 0 C-N-CA 125.801 1.64 . . . . 0.0 113.301 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -100.76 119.1 59.37 Favored Pre-proline 2 CA--C 1.681 6.009 0 C-N-CA 127.217 2.207 . . . . 0.0 110.928 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -67.06 159.79 50.36 Favored 'Trans proline' 3 C--N 1.546 10.927 0 C-N-CA 123.985 3.123 . . . . 0.0 117.532 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -113.9 -50.71 2.82 Favored 'General case' 1 CA--C 1.631 4.069 0 C-N-CA 128.228 2.611 . . . . 0.0 112.431 173.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.554 ' HA ' HG12 ' B' ' 1' ' ' VAL 0.368 2.7 pp -130.22 -52.27 1.04 Allowed 'Isoleucine or valine' 1 N--CA 1.573 5.688 0 C-N-CA 125.736 1.614 . . . . 0.0 114.956 -165.055 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.99 32.13 0.51 Allowed Glycine 0 N--CA 1.502 3.085 0 C-N-CA 128.299 2.857 . . . . 0.0 112.591 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.402 13.3 t70 78.19 71.67 0.05 OUTLIER 'General case' 2 N--CA 1.568 5.462 0 C-N-CA 130.648 3.579 . . . . 0.0 110.241 -176.42 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -90.93 124.54 61.67 Favored Pre-proline 1 CA--C 1.673 5.677 0 CA-C-N 112.327 -2.215 . . . . 0.0 113.778 -176.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -72.37 -26.45 17.22 Favored 'Trans proline' 3 C--N 1.554 11.346 0 C-N-CA 124.231 3.288 . . . . 0.0 117.64 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.3 p -91.47 148.0 22.62 Favored 'General case' 2 C--N 1.441 4.584 0 C-N-CA 127.064 2.145 . . . . 0.0 113.974 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.267 0.8 OUTLIER -95.37 128.33 46.64 Favored 'Isoleucine or valine' 3 N--CA 1.549 4.518 0 C-N-CA 125.654 1.582 . . . . 0.0 109.985 -176.285 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -130.66 157.19 43.43 Favored 'General case' 2 N--CA 1.548 4.437 0 C-N-CA 127.539 2.336 . . . . 0.0 111.416 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.24 141.11 14.76 Favored 'Isoleucine or valine' 1 C--N 1.461 5.449 0 C-N-CA 126.02 1.728 . . . . 0.0 109.199 171.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.343 1.3 p -148.58 -21.31 0.32 Allowed 'General case' 1 N--CA 1.55 4.567 0 C-N-CA 127.803 2.441 . . . . 0.0 113.765 -175.709 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.608 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 9.0 tmtm? -128.9 127.41 41.72 Favored 'General case' 1 C--N 1.481 6.324 0 C-N-CA 123.367 0.667 . . . . 0.0 110.76 176.216 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.615 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.277 45.8 mm -123.56 132.46 71.33 Favored 'Isoleucine or valine' 0 C--N 1.415 3.438 0 C-N-CA 126.916 2.087 . . . . 0.0 109.145 174.002 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.282 3.2 mp -85.77 129.29 55.2 Favored Pre-proline 1 CA--C 1.679 5.941 0 C-N-CA 126.479 1.912 . . . . 0.0 109.943 172.021 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.96 -19.72 63.98 Favored 'Trans proline' 3 C--N 1.535 10.384 0 C-N-CA 124.192 3.261 . . . . 0.0 117.88 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.49 37.85 2.05 Favored Glycine 1 C--N 1.428 5.683 0 CA-C-O 117.822 -1.543 . . . . 0.0 116.45 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.16 -178.01 40.35 Favored Glycine 3 C--N 1.444 6.575 0 C-N-CA 124.947 1.26 . . . . 0.0 116.045 173.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.98 -37.5 29.19 Favored 'General case' 0 N--CA 1.539 3.997 0 C-N-CA 128.536 2.735 . . . . 0.0 115.688 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.65 35.39 Favored 'General case' 2 C--N 1.445 4.722 0 C-N-CA 127.644 2.378 . . . . 0.0 115.395 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.3 -42.4 20.66 Favored 'General case' 1 C--N 1.452 5.026 0 C-N-CA 127.38 2.272 . . . . 0.0 113.339 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -91.05 -57.89 2.65 Favored 'General case' 1 C--N 1.45 4.944 0 C-N-CA 127.391 2.277 . . . . 0.0 115.021 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.82 -34.14 15.41 Favored 'General case' 1 C--N 1.46 5.394 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 -172.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.07 -43.64 7.03 Favored Glycine 2 C--N 1.44 6.345 0 N-CA-C 117.534 1.774 . . . . 0.0 117.534 -174.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.548 24.7 mmm180 88.31 52.33 0.01 OUTLIER 'General case' 2 N--CA 1.57 5.525 0 C-N-CA 130.777 3.631 . . . . 0.0 116.433 179.646 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tp -111.19 130.26 55.69 Favored 'General case' 0 C--N 1.418 3.548 0 C-N-CA 127.699 2.399 . . . . 0.0 111.568 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.45 156.43 21.66 Favored 'General case' 0 N--CA 1.524 3.273 0 C-N-CA 127.934 2.494 . . . . 0.0 110.305 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.18 -26.89 22.68 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.164 0 C-N-CA 129.042 2.937 . . . . 0.0 115.616 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -91.67 9.08 33.87 Favored 'General case' 1 CA--C 1.673 5.711 0 C-N-CA 129.104 2.962 . . . . 0.0 112.149 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.23 -36.19 18.1 Favored 'General case' 2 C--N 1.488 6.617 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.265 68.8 m 44.84 119.15 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.405 0 C-N-CA 129.734 3.214 . . . . 0.0 117.113 176.973 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.464 HG21 HG13 ' A' ' 64' ' ' VAL . 10.2 mt -83.68 128.32 38.92 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.183 0 C-N-CA 125.185 1.394 . . . . 0.0 110.542 -175.459 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.265 1.5 pt? -94.66 -46.03 7.11 Favored 'General case' 0 C--N 1.424 3.832 0 O-C-N 125.163 1.539 . . . . 0.0 111.996 169.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -131.04 132.9 45.24 Favored 'General case' 2 C--N 1.449 4.924 0 O-C-N 125.049 1.468 . . . . 0.0 113.463 -176.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.464 HG13 HG21 ' A' ' 61' ' ' ILE 0.466 0.0 OUTLIER -118.7 137.13 53.66 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.768 0 C-N-CA 124.474 1.11 . . . . 0.0 112.825 176.29 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.277 0.9 OUTLIER 74.49 -68.55 0.21 Allowed 'General case' 2 N--CA 1.58 6.073 0 C-N-CA 128.501 2.72 . . . . 0.0 112.428 -177.438 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.265 10.4 pt-20 -170.29 6.02 0.02 OUTLIER 'General case' 2 CA--C 1.643 4.551 1 C-N-CA 134.168 4.987 . . . . 0.0 108.941 174.087 . . . . . . . . 4 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.371 33.6 m -99.9 154.48 4.31 Favored 'Isoleucine or valine' 1 C--N 1.452 5.038 0 C-N-CA 127.845 2.458 . . . . 0.0 115.745 -169.015 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.388 4.2 p-10 -90.54 93.44 9.29 Favored 'General case' 0 C--N 1.419 3.59 0 C-N-CA 128.386 2.674 . . . . 0.0 112.542 -177.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG22 HG21 ' A' ' 72' ' ' VAL 0.311 0.5 OUTLIER -93.59 -8.87 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.319 0 CA-C-N 111.507 -2.588 . . . . 0.0 113.332 -179.61 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -56.89 -17.95 11.38 Favored 'General case' 2 N--CA 1.57 5.569 0 C-N-CA 128.041 2.536 . . . . 0.0 114.575 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -152.77 80.03 1.21 Allowed 'General case' 1 C--N 1.46 5.376 0 C-N-CA 128.817 2.847 . . . . 0.0 109.452 177.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.447 HG21 HG22 ' A' ' 69' ' ' VAL . 33.5 m -146.81 165.5 7.31 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.652 0 C-N-CA 127.499 2.32 . . . . 0.0 110.479 179.313 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -76.98 163.72 26.44 Favored 'General case' 1 N--CA 1.57 5.569 0 C-N-CA 126.338 1.855 . . . . 0.0 111.444 165.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.268 12.1 p80 -50.99 -53.78 30.22 Favored 'General case' 2 N--CA 1.598 6.934 0 C-N-CA 126.224 1.81 . . . . 0.0 114.318 177.055 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 t -62.38 -31.95 72.69 Favored 'General case' 3 N--CA 1.554 4.753 0 C-N-CA 126.88 2.072 . . . . 0.0 112.923 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.36 -22.75 61.1 Favored 'General case' 1 C--N 1.452 5.034 0 C-N-CA 128.395 2.678 . . . . 0.0 113.955 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.01 -32.26 15.99 Favored 'General case' 1 C--N 1.465 5.591 0 C-N-CA 126.335 1.854 . . . . 0.0 112.799 173.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.83 -41.06 69.85 Favored 'Isoleucine or valine' 3 N--CA 1.586 6.347 0 C-N-CA 127.409 2.284 . . . . 0.0 111.371 175.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 41.9 mt-10 -65.3 -16.47 63.61 Favored 'General case' 1 N--CA 1.595 6.812 0 C-N-CA 128.313 2.645 . . . . 0.0 115.044 176.62 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.02 -29.34 49.44 Favored 'General case' 0 CA--C 1.624 3.808 0 C-N-CA 126.852 2.061 . . . . 0.0 112.273 166.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.513 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.266 1.4 mt -92.95 -35.27 13.4 Favored 'General case' 2 C--N 1.464 5.564 0 N-CA-C 116.593 2.072 . . . . 0.0 116.593 178.754 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -85.52 -35.63 21.02 Favored 'General case' 1 N--CA 1.543 4.184 0 C-N-CA 127.373 2.269 . . . . 0.0 114.493 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.28 39.3 mt-10 -88.96 -14.12 37.35 Favored 'General case' 2 N--CA 1.585 6.291 0 N-CA-C 119.683 3.216 . . . . 0.0 119.683 -176.501 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.58 67.84 Favored 'General case' 3 N--CA 1.592 6.646 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.21 -34.67 5.6 Favored Glycine 1 C--N 1.422 5.336 0 N-CA-C 119.566 2.586 . . . . 0.0 119.566 165.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 m -168.28 -33.78 0.02 OUTLIER 'General case' 1 N--CA 1.554 4.736 0 C-N-CA 128.648 2.779 . . . . 0.0 112.482 -171.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.272 23.9 mm -124.92 110.7 25.53 Favored 'Isoleucine or valine' 1 C--N 1.441 4.561 0 C-N-CA 125.828 1.651 . . . . 0.0 109.143 -173.093 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.513 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.275 0.0 OUTLIER -119.56 118.15 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.402 0 O-C-N 126.133 2.146 . . . . 0.0 113.09 179.594 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.513 ' HB3' HG23 ' A' ' 11' ' ' THR 0.428 36.3 ptt180 -111.82 105.12 13.51 Favored 'General case' 1 N--CA 1.553 4.698 0 C-N-CA 125.943 1.697 . . . . 0.0 115.227 -177.862 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 138.45 32.1 Favored 'General case' 0 N--CA 1.527 3.384 0 C-N-CA 128.215 2.606 . . . . 0.0 113.95 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -117.52 112.66 20.9 Favored 'General case' 1 C--O 1.309 4.186 0 C-N-CA 126.685 1.994 . . . . 0.0 110.867 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 33.6 m -106.74 159.91 6.34 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.139 0 O-C-N 126.864 2.602 . . . . 0.0 115.491 -175.014 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.318 3.8 ppp? -125.38 116.93 22.66 Favored 'General case' 1 N--CA 1.564 5.249 0 C-N-CA 127.996 2.518 . . . . 0.0 114.121 -176.64 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -116.96 141.15 48.61 Favored 'General case' 0 N--CA 1.532 3.627 0 C-N-CA 127.928 2.491 . . . . 0.0 110.581 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -87.09 142.01 28.23 Favored 'General case' 0 CA--C 1.629 3.996 0 C-N-CA 126.793 2.037 . . . . 0.0 111.488 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.306 20.5 pttp -56.28 119.16 25.68 Favored Pre-proline 2 CA--C 1.676 5.819 0 C-N-CA 128.748 2.819 . . . . 0.0 117.775 -176.919 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -77.61 151.41 28.69 Favored 'Trans proline' 3 C--N 1.549 11.091 0 C-N-CA 123.798 2.999 . . . . 0.0 116.533 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.88 138.61 37.84 Favored 'Trans proline' 3 C--N 1.553 11.297 0 C-N-CA 123.771 2.98 . . . . 0.0 116.524 176.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.432 4.175 0 C-N-CA 126.471 1.908 . . . . 0.0 112.917 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 32' ' ' ILE 0.487 6.1 m . . . . . 0 N--CA 1.534 3.747 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.418 12.6 m -95.97 -45.31 13.09 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.633 0 C-N-CA 126.713 2.005 . . . . 0.0 115.939 -176.941 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -146.72 125.42 12.57 Favored 'General case' 1 C--N 1.447 4.806 0 C-N-CA 125.868 1.667 . . . . 0.0 112.329 -175.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.282 3.9 tt0 -137.46 106.83 6.09 Favored 'General case' 1 C--N 1.436 4.364 0 CA-C-O 122.362 1.077 . . . . 0.0 113.02 173.524 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -115.77 77.22 1.07 Allowed 'General case' 0 C--O 1.29 3.223 0 CA-C-N 111.824 -2.444 . . . . 0.0 106.084 163.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.353 0.4 OUTLIER -83.54 -21.77 8.63 Favored 'Isoleucine or valine' 0 C--N 1.427 3.941 0 CA-C-N 112.377 -2.192 . . . . 0.0 115.611 -170.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 67.4 m -61.31 79.85 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.81 0 C-N-CA 127.036 2.135 . . . . 0.0 114.294 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.525 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 67.5 m -134.74 -168.51 2.17 Favored 'General case' 0 CA--C 1.627 3.925 0 C-N-CA 129.641 3.176 . . . . 0.0 110.828 -171.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 1 C--N 1.446 4.773 0 C-N-CA 125.833 1.653 . . . . 0.0 107.201 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.45 0 CA-C-O 119.462 -0.632 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.76 125.46 51.95 Favored 'General case' 0 C--N 1.426 3.892 0 C-N-CA 126.433 1.893 . . . . 0.0 113.097 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.371 26.1 ptt? -111.5 5.67 19.68 Favored 'General case' 2 N--CA 1.569 5.481 0 C-N-CA 126.5 1.92 . . . . 0.0 115.565 178.458 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.304 10.1 pt-20 -120.48 159.53 24.97 Favored 'General case' 0 N--CA 1.536 3.856 0 C-N-CA 128.754 2.822 . . . . 0.0 114.454 -177.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.326 26.7 ptt? -72.93 162.59 29.31 Favored 'General case' 3 N--CA 1.552 4.663 0 C-N-CA 127.351 2.261 . . . . 0.0 114.541 178.216 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.372 9.7 pt-20 -120.05 124.13 45.12 Favored 'General case' 1 N--CA 1.546 4.346 0 C-N-CA 125.86 1.664 . . . . 0.0 114.229 -171.266 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -103.54 141.82 35.36 Favored 'General case' 1 N--CA 1.542 4.16 0 C-N-CA 126.63 1.972 . . . . 0.0 112.554 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -128.19 130.96 48.82 Favored 'General case' 2 N--CA 1.547 4.381 0 O-C-N 124.531 1.144 . . . . 0.0 111.798 -175.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.296 11.5 pt-20 -103.64 110.7 22.87 Favored 'General case' 0 C--N 1.426 3.902 0 C-N-CA 126.302 1.841 . . . . 0.0 112.789 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mt -111.44 145.99 16.96 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.207 0 C-N-CA 124.655 1.182 . . . . 0.0 110.589 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.23 126.54 51.77 Favored 'General case' 2 N--CA 1.551 4.616 0 C-N-CA 127.052 2.141 . . . . 0.0 113.955 173.249 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -126.55 164.76 20.48 Favored 'General case' 0 N--CA 1.539 4.0 0 C-N-CA 127.436 2.294 . . . . 0.0 113.269 174.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.72 139.54 32.63 Favored 'General case' 2 C--N 1.441 4.556 0 C-N-CA 126.682 1.993 . . . . 0.0 110.715 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.0 113.09 18.98 Favored 'General case' 2 N--CA 1.54 4.061 0 C-N-CA 128.22 2.608 . . . . 0.0 115.219 -171.2 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.25 -71.19 1.24 Allowed Glycine 2 N--CA 1.557 6.752 0 N-CA-C 118.898 2.319 . . . . 0.0 118.898 161.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.299 3.6 p-10 -61.39 -20.17 62.73 Favored 'General case' 2 N--CA 1.57 5.533 0 C-N-CA 128.467 2.707 . . . . 0.0 116.666 179.852 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.3 m -89.99 -22.69 21.79 Favored 'General case' 1 C--N 1.438 4.418 0 C-N-CA 126.379 1.871 . . . . 0.0 113.809 174.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.11 62.63 0.64 Allowed Glycine 1 C--N 1.478 8.454 0 N-CA-C 116.625 1.41 . . . . 0.0 116.625 169.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.97 115.27 4.73 Favored 'General case' 2 N--CA 1.555 4.81 0 C-N-CA 126.238 1.815 . . . . 0.0 114.055 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.51 63.17 0.28 Allowed Glycine 1 C--N 1.417 5.058 0 C-N-CA 126.263 1.887 . . . . 0.0 115.909 -169.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -158.51 167.29 30.03 Favored 'General case' 0 CA--C 1.625 3.836 0 C-N-CA 129.185 2.994 . . . . 0.0 108.771 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.6 m -133.7 145.81 50.23 Favored 'General case' 1 C--N 1.438 4.424 0 C-N-CA 124.357 1.063 . . . . 0.0 110.704 166.79 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.526 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.538 1.9 pp -119.12 126.2 75.15 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.214 0 N-CA-C 119.476 3.139 . . . . 0.0 119.476 -175.437 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -106.36 118.4 36.55 Favored 'General case' 1 C--N 1.437 4.388 0 CA-C-N 112.664 -2.062 . . . . 0.0 111.1 -177.062 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.95 162.67 36.46 Favored Glycine 0 N--CA 1.516 3.983 0 C-N-CA 125.103 1.335 . . . . 0.0 114.295 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.17 139.76 3.27 Favored Glycine 2 C--N 1.417 5.079 0 N-CA-C 118.836 2.294 . . . . 0.0 118.836 -172.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.269 7.0 p -101.47 -40.12 7.21 Favored 'General case' 1 N--CA 1.56 5.043 0 C-N-CA 125.958 1.703 . . . . 0.0 113.286 164.554 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.39 -34.05 8.41 Favored 'General case' 2 C--N 1.433 4.204 0 C-N-CA 126.001 1.72 . . . . 0.0 113.264 177.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -101.01 118.25 60.79 Favored Pre-proline 2 C--N 1.446 4.761 0 C-N-CA 126.891 2.076 . . . . 0.0 112.67 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HB3' ' H ' ' A' ' 34' ' ' ASP . 3.2 Cg_exo -73.96 152.23 46.09 Favored 'Trans proline' 3 C--N 1.543 10.791 0 C-N-CA 123.449 2.766 . . . . 0.0 117.369 176.587 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -96.18 -63.96 1.1 Allowed 'General case' 0 C--N 1.426 3.901 0 C-N-CA 126.57 1.948 . . . . 0.0 111.218 169.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.304 3.0 tp -116.57 2.86 7.65 Favored 'Isoleucine or valine' 1 CA--C 1.663 5.305 0 C-N-CA 127.183 2.193 . . . . 0.0 113.432 -165.379 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.08 65.58 0.52 Allowed Glycine 1 C--N 1.398 4.011 0 C-N-CA 127.559 2.504 . . . . 0.0 113.193 -174.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.52 ' H ' ' HB3' ' A' ' 30' ' ' PRO 0.468 7.9 m-20 69.62 75.84 0.22 Allowed 'General case' 2 N--CA 1.561 5.076 0 C-N-CA 130.475 3.51 . . . . 0.0 115.463 -178.027 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -106.3 119.93 50.35 Favored Pre-proline 1 CA--C 1.676 5.815 0 CA-C-N 112.45 -2.159 . . . . 0.0 111.266 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -75.79 -26.39 9.75 Favored 'Trans proline' 3 C--N 1.548 11.063 0 C-N-CA 123.962 3.108 . . . . 0.0 118.552 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.5 m -92.39 151.39 20.28 Favored 'General case' 2 N--CA 1.554 4.765 0 C-N-CA 126.959 2.103 . . . . 0.0 114.475 -175.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.264 2.2 mm -96.09 111.64 26.73 Favored 'Isoleucine or valine' 3 C--N 1.451 4.98 0 C-N-CA 126.083 1.753 . . . . 0.0 108.477 -179.858 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -122.28 149.97 42.98 Favored 'General case' 1 N--CA 1.539 4.005 0 C-N-CA 130.029 3.332 . . . . 0.0 111.801 -170.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.35 141.7 13.94 Favored 'Isoleucine or valine' 2 C--N 1.451 5.02 0 C-N-CA 125.486 1.514 . . . . 0.0 110.17 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.312 3.2 p -145.66 -26.62 0.46 Allowed 'General case' 1 N--CA 1.556 4.834 0 C-N-CA 127.668 2.387 . . . . 0.0 113.573 -177.835 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.278 51.2 tptt -121.83 127.63 50.77 Favored 'General case' 1 C--N 1.465 5.591 0 C-N-CA 124.459 1.103 . . . . 0.0 112.636 177.074 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.619 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.269 42.1 mm -127.41 124.26 63.46 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.285 0 C-N-CA 127.522 2.329 . . . . 0.0 108.102 173.143 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.297 3.7 mp -78.17 131.2 69.98 Favored Pre-proline 2 CA--C 1.682 6.02 0 C-N-CA 126.505 1.922 . . . . 0.0 110.884 171.834 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.93 -22.4 55.86 Favored 'Trans proline' 3 C--N 1.535 10.371 0 C-N-CA 124.231 3.288 . . . . 0.0 117.427 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.82 43.0 1.33 Allowed Glycine 1 C--N 1.43 5.757 0 CA-C-O 118.307 -1.274 . . . . 0.0 115.815 178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.84 -177.97 32.14 Favored Glycine 2 C--N 1.438 6.248 0 C-N-CA 125.362 1.458 . . . . 0.0 115.216 173.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.92 -37.33 29.78 Favored 'General case' 0 N--CA 1.536 3.835 0 C-N-CA 127.887 2.475 . . . . 0.0 115.689 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.65 -22.86 40.13 Favored 'General case' 2 N--CA 1.556 4.829 0 C-N-CA 126.547 1.939 . . . . 0.0 115.739 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.28 -42.59 14.49 Favored 'General case' 1 C--N 1.446 4.783 0 C-N-CA 127.26 2.224 . . . . 0.0 113.401 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -90.94 -57.02 2.95 Favored 'General case' 1 C--N 1.449 4.934 0 C-N-CA 127.164 2.186 . . . . 0.0 114.812 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.04 -33.0 15.69 Favored 'General case' 1 C--N 1.46 5.376 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 -173.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.03 -47.0 5.44 Favored Glycine 2 C--N 1.441 6.372 0 N-CA-C 117.522 1.769 . . . . 0.0 117.522 -173.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.584 98.7 mtt180 88.24 52.57 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.823 0 C-N-CA 130.438 3.495 . . . . 0.0 116.76 -179.192 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tp -111.38 130.49 55.68 Favored 'General case' 0 C--N 1.416 3.471 0 C-N-CA 127.662 2.385 . . . . 0.0 111.494 171.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.41 154.64 24.34 Favored 'General case' 0 N--CA 1.526 3.339 0 C-N-CA 127.724 2.41 . . . . 0.0 110.344 169.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.9 p -54.81 -27.6 18.78 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.424 0 C-N-CA 129.009 2.924 . . . . 0.0 115.896 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.291 28.5 p30 -91.51 8.56 35.91 Favored 'General case' 1 CA--C 1.654 4.972 0 C-N-CA 128.836 2.855 . . . . 0.0 113.942 178.133 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.07 -34.05 22.33 Favored 'General case' 2 C--N 1.491 6.733 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 m 45.49 118.41 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.397 0 C-N-CA 129.047 2.939 . . . . 0.0 116.389 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.516 HG21 HG13 ' A' ' 64' ' ' VAL . 6.0 mt -84.81 127.63 39.69 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.783 0 C-N-CA 124.697 1.199 . . . . 0.0 110.307 -175.22 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.258 1.4 pt? -94.05 -42.9 8.77 Favored 'General case' 1 C--N 1.431 4.138 0 O-C-N 125.139 1.524 . . . . 0.0 112.438 170.477 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -134.44 132.66 39.59 Favored 'General case' 2 C--N 1.448 4.853 0 O-C-N 124.721 1.263 . . . . 0.0 113.831 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.516 HG13 HG21 ' A' ' 61' ' ' ILE 0.512 3.0 m -116.56 136.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.413 3.327 0 C-N-CA 124.97 1.308 . . . . 0.0 113.197 173.707 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.292 2.0 m120 71.91 -78.04 0.05 Allowed 'General case' 2 N--CA 1.553 4.695 0 C-N-CA 128.912 2.885 . . . . 0.0 112.042 179.389 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -151.71 4.74 0.43 Allowed 'General case' 2 CA--C 1.641 4.48 1 C-N-CA 132.672 4.389 . . . . 0.0 108.625 170.762 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.346 31.6 m -100.75 156.25 4.3 Favored 'Isoleucine or valine' 1 C--N 1.455 5.182 0 C-N-CA 127.915 2.486 . . . . 0.0 115.372 -168.444 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.403 4.4 p30 -85.3 95.8 9.33 Favored 'General case' 0 C--N 1.413 3.35 0 C-N-CA 127.58 2.352 . . . . 0.0 114.714 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.556 3.6 m -93.6 33.07 0.15 Allowed 'Isoleucine or valine' 1 N--CA 1.557 4.911 0 CA-C-O 123.504 1.621 . . . . 0.0 114.482 170.079 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -82.56 -35.71 26.94 Favored 'General case' 0 N--CA 1.532 3.672 0 CA-C-N 111.791 -2.459 . . . . 0.0 112.9 170.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . 0.308 0.1 OUTLIER -159.03 91.52 1.04 Allowed 'General case' 1 C--N 1.492 6.78 0 C-N-CA 128.003 2.521 . . . . 0.0 110.815 179.818 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.279 27.8 m -142.46 166.02 16.24 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.328 0 C-N-CA 126.908 2.083 . . . . 0.0 109.859 175.543 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -76.85 158.07 31.04 Favored 'General case' 1 N--CA 1.56 5.026 0 C-N-CA 125.833 1.653 . . . . 0.0 111.77 167.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -48.98 -54.64 14.74 Favored 'General case' 3 N--CA 1.581 6.078 0 C-N-CA 128.434 2.694 . . . . 0.0 112.392 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -61.58 -34.67 76.0 Favored 'General case' 2 C--N 1.456 5.233 0 C-N-CA 126.751 2.02 . . . . 0.0 113.427 176.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.79 -22.65 62.34 Favored 'General case' 2 C--N 1.46 5.372 0 C-N-CA 128.106 2.562 . . . . 0.0 114.424 174.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.29 -30.55 17.42 Favored 'General case' 1 C--N 1.461 5.426 0 C-N-CA 126.553 1.941 . . . . 0.0 112.926 175.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.99 -41.71 27.58 Favored 'Isoleucine or valine' 3 N--CA 1.583 6.19 0 C-N-CA 127.204 2.201 . . . . 0.0 110.695 174.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.93 -24.0 67.65 Favored 'General case' 2 N--CA 1.598 6.95 0 C-N-CA 128.585 2.754 . . . . 0.0 115.615 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.55 -29.31 63.45 Favored 'General case' 1 C--N 1.43 4.078 0 C-N-CA 126.479 1.911 . . . . 0.0 111.751 168.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.253 12.4 mt -94.37 -25.72 16.84 Favored 'General case' 1 C--N 1.453 5.105 0 C-N-CA 127.868 2.467 . . . . 0.0 116.344 179.81 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -90.28 -36.72 14.54 Favored 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 127.156 2.183 . . . . 0.0 113.586 174.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.267 39.8 mt-10 -90.52 -16.84 28.11 Favored 'General case' 2 N--CA 1.597 6.901 0 N-CA-C 120.048 3.351 . . . . 0.0 120.048 -176.544 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.55 -22.46 13.23 Favored 'General case' 3 N--CA 1.6 7.063 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.99 -35.01 4.91 Favored Glycine 1 C--N 1.424 5.43 0 N-CA-C 120.092 2.797 . . . . 0.0 120.092 164.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 t -175.25 -30.75 0.01 OUTLIER 'General case' 1 N--CA 1.577 5.881 0 C-N-CA 128.426 2.69 . . . . 0.0 110.935 -175.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.288 36.4 mm -126.44 129.7 71.84 Favored 'Isoleucine or valine' 1 C--N 1.44 4.506 0 C-N-CA 125.641 1.576 . . . . 0.0 109.1 179.34 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.365 22.0 m -123.32 123.59 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.596 0 C-N-CA 127.901 2.48 . . . . 0.0 112.365 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.411 34.0 ptt180 -111.83 124.82 53.16 Favored 'General case' 1 N--CA 1.544 4.245 0 C-N-CA 126.286 1.834 . . . . 0.0 114.884 -179.899 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 139.22 48.91 Favored 'General case' 0 N--CA 1.523 3.176 0 C-N-CA 128.095 2.558 . . . . 0.0 113.414 177.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -119.47 111.1 17.7 Favored 'General case' 0 C--O 1.302 3.852 0 C-N-CA 126.801 2.04 . . . . 0.0 110.498 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.256 32.9 m -106.53 160.96 5.88 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.471 0 O-C-N 126.535 2.397 . . . . 0.0 115.008 -174.781 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.338 0.0 OUTLIER -122.16 115.71 22.9 Favored 'General case' 1 N--CA 1.561 5.1 0 C-N-CA 127.272 2.229 . . . . 0.0 113.306 -177.926 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -116.76 151.46 36.39 Favored 'General case' 0 N--CA 1.535 3.789 0 C-N-CA 127.601 2.361 . . . . 0.0 111.652 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -85.4 138.95 31.93 Favored 'General case' 0 CA--C 1.627 3.93 0 C-N-CA 128.203 2.601 . . . . 0.0 111.67 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.301 20.4 pttp -55.78 131.78 72.6 Favored Pre-proline 2 CA--C 1.677 5.848 0 C-N-CA 128.988 2.915 . . . . 0.0 117.214 -179.806 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.53 -39.82 61.98 Favored 'Trans proline' 3 C--N 1.549 11.12 0 C-N-CA 124.703 3.602 . . . . 0.0 119.75 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -63.04 136.33 55.94 Favored 'Trans proline' 3 C--N 1.567 12.067 0 C-N-CA 123.796 2.997 . . . . 0.0 117.526 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.431 4.132 0 C-N-CA 126.827 2.051 . . . . 0.0 112.834 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.353 6.2 p . . . . . 0 CA--C 1.615 3.457 0 CA-C-O 120.753 0.311 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.318 7.7 p -101.93 -12.85 8.61 Favored 'Isoleucine or valine' 1 CA--C 1.666 5.439 0 C-N-CA 126.898 2.079 . . . . 0.0 115.572 -172.457 . . . . . . . . 3 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -119.81 -17.85 8.43 Favored 'General case' 2 N--CA 1.561 5.113 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -171.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -115.02 155.49 26.88 Favored 'General case' 0 CA--C 1.628 3.977 0 C-N-CA 128.099 2.559 . . . . 0.0 112.938 -171.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.291 0.0 OUTLIER -103.24 -41.34 6.08 Favored 'General case' 0 C--N 1.427 3.953 0 C-N-CA 127.163 2.185 . . . . 0.0 113.112 172.552 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 1.602 ' CA ' ' CB ' ' B' ' 6' ' ' ILE 0.62 10.6 tp 56.99 73.11 0.1 OUTLIER 'Isoleucine or valine' 3 N--CA 1.579 6.004 0 C-N-CA 129.848 3.259 . . . . 0.0 115.963 178.758 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 73.3 m -126.79 22.58 6.81 Favored 'General case' 2 N--CA 1.56 5.068 0 C-N-CA 127.628 2.371 . . . . 0.0 113.392 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.526 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 67.9 m -77.42 -167.7 0.99 Allowed 'General case' 3 N--CA 1.56 5.074 0 C-N-CA 127.84 2.456 . . . . 0.0 115.077 -175.03 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 2 N--CA 1.553 4.709 0 C-N-CA 126.637 1.975 . . . . 0.0 109.184 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.474 0 CA-C-O 119.39 -0.672 . . . . 0.0 112.821 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.64 153.86 21.76 Favored 'General case' 0 N--CA 1.539 3.989 0 C-N-CA 126.491 1.916 . . . . 0.0 113.744 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.547 2.1 mpt? 81.6 120.07 0.05 OUTLIER 'General case' 2 C--N 1.452 5.036 0 C-N-CA 130.025 3.33 . . . . 0.0 116.909 179.343 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.339 9.6 pt-20 -120.26 146.5 46.01 Favored 'General case' 0 N--CA 1.539 3.993 0 C-N-CA 128.202 2.601 . . . . 0.0 115.024 178.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.29 24.8 ptm -72.05 160.75 31.96 Favored 'General case' 2 N--CA 1.56 5.04 0 C-N-CA 127.996 2.518 . . . . 0.0 114.779 179.323 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.362 11.1 pt-20 -117.39 121.12 40.22 Favored 'General case' 1 N--CA 1.551 4.618 0 C-N-CA 125.704 1.602 . . . . 0.0 114.453 -172.106 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -108.13 145.22 34.44 Favored 'General case' 1 N--CA 1.55 4.541 0 C-N-CA 126.242 1.817 . . . . 0.0 113.12 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -130.7 135.68 48.05 Favored 'General case' 2 C--N 1.439 4.493 0 C-N-CA 124.937 1.295 . . . . 0.0 111.078 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.283 11.7 pt-20 -107.2 113.96 27.71 Favored 'General case' 0 C--N 1.426 3.902 0 C-N-CA 126.442 1.897 . . . . 0.0 112.659 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt -113.06 141.75 27.68 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.13 0 C-N-CA 124.673 1.189 . . . . 0.0 110.286 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.262 0.6 OUTLIER -113.18 123.03 49.26 Favored 'General case' 1 N--CA 1.54 4.04 0 C-N-CA 126.738 2.015 . . . . 0.0 113.09 170.703 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 mt -121.45 149.55 42.87 Favored 'General case' 0 N--CA 1.523 3.206 0 C-N-CA 127.601 2.36 . . . . 0.0 112.285 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -99.03 128.43 45.17 Favored 'General case' 0 N--CA 1.537 3.91 0 C-N-CA 126.068 1.747 . . . . 0.0 108.898 173.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.303 2.3 tpm_? -65.35 103.34 0.79 Allowed 'General case' 1 N--CA 1.549 4.505 0 C-N-CA 127.988 2.515 . . . . 0.0 114.816 -176.083 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.56 87.31 0.08 OUTLIER Glycine 2 C--N 1.429 5.728 0 N-CA-C 119.437 2.535 . . . . 0.0 119.437 173.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -90.6 -40.28 12.02 Favored 'General case' 1 N--CA 1.568 5.473 0 C-N-CA 126.258 1.823 . . . . 0.0 110.514 167.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.4 p -120.09 -12.76 9.06 Favored 'General case' 2 CA--C 1.643 4.535 0 C-N-CA 129.167 2.987 . . . . 0.0 111.7 167.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.81 37.6 1.53 Allowed Glycine 1 C--N 1.45 6.889 0 C-N-CA 127.836 2.636 . . . . 0.0 112.601 -175.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.464 3.2 mm? 54.33 135.7 0.0 OUTLIER 'General case' 2 C--N 1.471 5.854 0 C-N-CA 130.084 3.354 . . . . 0.0 117.154 -172.606 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . -95.72 46.92 1.9 Allowed Glycine 1 C--N 1.42 5.244 0 C-N-CA 125.922 1.725 . . . . 0.0 116.719 -174.795 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -159.91 170.84 20.53 Favored 'General case' 2 C--N 1.458 5.298 0 C-N-CA 127.356 2.262 . . . . 0.0 110.687 172.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.492 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 72.9 m -140.62 142.78 35.0 Favored 'General case' 1 C--N 1.45 4.966 0 C-N-CA 126.165 1.786 . . . . 0.0 110.053 166.591 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.397 0.1 OUTLIER -110.67 132.37 59.27 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.007 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -176.901 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.47 118.1 35.72 Favored 'General case' 1 C--N 1.452 5.042 0 O-C-N 124.898 1.374 . . . . 0.0 110.911 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.59 155.89 26.86 Favored Glycine 0 C--N 1.386 3.318 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.434 -175.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.05 140.54 3.51 Favored Glycine 1 C--N 1.398 4.018 0 N-CA-C 118.352 2.101 . . . . 0.0 118.352 -172.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 9.3 p -100.69 -35.45 9.47 Favored 'General case' 1 N--CA 1.558 4.939 0 C-N-CA 126.196 1.799 . . . . 0.0 113.382 165.973 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -104.0 -36.7 7.65 Favored 'General case' 1 C--N 1.434 4.251 0 C-N-CA 125.608 1.563 . . . . 0.0 113.2 177.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -101.53 114.59 65.64 Favored Pre-proline 2 CA--C 1.678 5.89 0 C-N-CA 127.134 2.174 . . . . 0.0 110.652 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.65 165.9 29.46 Favored 'Trans proline' 3 C--N 1.538 10.533 0 C-N-CA 123.562 2.841 . . . . 0.0 117.136 177.146 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -121.06 -51.08 2.12 Favored 'General case' 1 C--N 1.43 4.096 0 C-N-CA 126.719 2.008 . . . . 0.0 109.839 166.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.413 0.4 OUTLIER -136.78 98.55 1.72 Allowed 'Isoleucine or valine' 1 C--N 1.443 4.641 0 C-N-CA 128.158 2.583 . . . . 0.0 112.04 -175.557 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.18 24.86 52.82 Favored Glycine 3 N--CA 1.571 7.67 0 C-N-CA 127.616 2.531 . . . . 0.0 119.127 175.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.422 13.0 t70 69.94 68.98 0.23 Allowed 'General case' 3 N--CA 1.565 5.277 0 C-N-CA 130.407 3.483 . . . . 0.0 112.905 -175.176 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.71 133.37 20.31 Favored Pre-proline 1 CA--C 1.652 4.893 0 C-N-CA 127.773 2.429 . . . . 0.0 114.498 179.112 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -74.29 -24.24 14.62 Favored 'Trans proline' 3 C--N 1.555 11.396 0 C-N-CA 124.34 3.36 . . . . 0.0 119.611 -177.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.7 m -78.88 143.96 35.41 Favored 'General case' 2 N--CA 1.566 5.33 0 C-N-CA 126.833 2.053 . . . . 0.0 115.469 -173.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.253 0.5 OUTLIER -97.05 125.11 50.15 Favored 'Isoleucine or valine' 2 C--N 1.451 4.978 0 C-N-CA 125.963 1.705 . . . . 0.0 109.535 -178.895 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . 0.314 20.3 p90 -141.91 157.83 44.51 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 128.034 2.533 . . . . 0.0 113.589 -177.483 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -84.06 144.71 9.37 Favored 'Isoleucine or valine' 2 C--N 1.447 4.846 0 C-N-CA 126.96 2.104 . . . . 0.0 111.187 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.303 5.9 p -147.61 -29.2 0.34 Allowed 'General case' 1 N--CA 1.549 4.48 0 C-N-CA 128.063 2.545 . . . . 0.0 113.659 -178.386 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.2 tmtm? -122.15 124.89 44.93 Favored 'General case' 1 C--N 1.475 6.033 0 O-C-N 123.644 0.59 . . . . 0.0 111.103 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.625 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 40.3 mm -123.53 128.74 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.38 0 C-N-CA 127.179 2.192 . . . . 0.0 108.222 173.289 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.305 3.9 mp -80.68 134.42 54.03 Favored Pre-proline 2 CA--C 1.682 6.039 0 C-N-CA 125.72 1.608 . . . . 0.0 111.477 172.756 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -66.37 -23.24 51.5 Favored 'Trans proline' 3 C--N 1.537 10.498 0 C-N-CA 124.22 3.28 . . . . 0.0 117.607 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.41 43.92 1.25 Allowed Glycine 1 C--N 1.43 5.753 0 CA-C-O 118.264 -1.298 . . . . 0.0 115.673 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.443 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -101.75 -177.25 28.27 Favored Glycine 2 C--N 1.434 6.003 0 C-N-CA 125.577 1.561 . . . . 0.0 115.839 175.064 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.42 -35.36 35.25 Favored 'General case' 0 N--CA 1.538 3.965 0 C-N-CA 128.025 2.53 . . . . 0.0 115.814 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.4 38.4 Favored 'General case' 2 N--CA 1.555 4.778 0 C-N-CA 126.539 1.936 . . . . 0.0 116.159 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.69 -41.32 14.28 Favored 'General case' 1 C--N 1.442 4.589 0 C-N-CA 127.082 2.153 . . . . 0.0 113.639 177.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -90.91 -56.73 3.06 Favored 'General case' 2 C--N 1.449 4.897 0 C-N-CA 126.96 2.104 . . . . 0.0 114.653 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -90.93 -33.12 15.72 Favored 'General case' 1 C--N 1.46 5.398 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -174.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.48 -48.95 4.33 Favored Glycine 2 C--N 1.441 6.372 0 N-CA-C 117.657 1.823 . . . . 0.0 117.657 -173.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.537 99.2 mtt180 88.01 50.57 0.01 OUTLIER 'General case' 2 N--CA 1.582 6.166 0 C-N-CA 130.425 3.49 . . . . 0.0 116.26 -179.209 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.62 127.85 55.87 Favored 'General case' 0 C--N 1.42 3.666 0 C-N-CA 127.647 2.379 . . . . 0.0 111.958 172.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -111.76 160.42 17.33 Favored 'General case' 0 N--CA 1.532 3.631 0 C-N-CA 128.171 2.588 . . . . 0.0 110.59 170.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG13 HG12 ' A' ' 43' ' ' ILE 0.276 2.9 m -52.63 -29.85 14.26 Favored 'Isoleucine or valine' 1 N--CA 1.629 8.494 0 C-N-CA 127.704 2.401 . . . . 0.0 116.07 175.047 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -90.58 7.94 36.65 Favored 'General case' 1 CA--C 1.667 5.454 0 C-N-CA 128.992 2.917 . . . . 0.0 112.098 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.33 -35.93 15.82 Favored 'General case' 2 C--N 1.49 6.674 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m 45.96 118.23 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.704 0 C-N-CA 129.393 3.077 . . . . 0.0 116.394 175.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.591 HG21 HG23 ' A' ' 64' ' ' VAL 0.251 7.7 mt -85.33 131.15 34.92 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.2 0 C-N-CA 124.381 1.072 . . . . 0.0 110.657 -175.68 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -95.86 -45.04 7.13 Favored 'General case' 0 C--N 1.427 3.958 0 O-C-N 125.203 1.565 . . . . 0.0 112.45 168.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -131.09 121.6 25.24 Favored 'General case' 1 C--N 1.453 5.087 0 O-C-N 124.944 1.403 . . . . 0.0 113.432 -175.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.591 HG23 HG21 ' A' ' 61' ' ' ILE 0.381 2.1 p -120.45 129.57 75.41 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.92 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -176.011 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.3 t30 73.2 3.19 4.58 Favored 'General case' 2 N--CA 1.622 8.15 0 C-N-CA 129.005 2.922 . . . . 0.0 111.25 -170.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.409 45.0 mt-10 84.3 15.26 0.24 Allowed 'General case' 3 N--CA 1.573 5.724 0 C-N-CA 131.204 3.802 . . . . 0.0 112.202 -160.882 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 64' ' ' VAL 0.359 4.6 m -92.2 155.87 3.07 Favored 'Isoleucine or valine' 1 C--N 1.474 6.004 0 C-N-CA 126.606 1.963 . . . . 0.0 112.917 -178.42 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.79 99.28 11.99 Favored 'General case' 0 CA--C 1.608 3.192 0 O-C-N 126.029 2.081 . . . . 0.0 111.114 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.502 29.0 m -93.21 -17.33 7.41 Favored 'Isoleucine or valine' 1 N--CA 1.559 4.977 0 CA-C-N 111.644 -2.525 . . . . 0.0 116.843 177.205 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.374 38.6 ptt180 -44.04 -26.18 0.27 Allowed 'General case' 2 N--CA 1.589 6.498 0 N-CA-C 118.68 2.844 . . . . 0.0 118.68 -177.145 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -145.96 78.07 1.51 Allowed 'General case' 1 C--N 1.442 4.614 0 C-N-CA 129.395 3.078 . . . . 0.0 108.864 175.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.549 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.289 17.7 m -142.04 162.65 19.66 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.64 0 C-N-CA 126.729 2.012 . . . . 0.0 110.858 178.327 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 p -78.44 164.42 24.78 Favored 'General case' 1 N--CA 1.57 5.54 0 C-N-CA 126.706 2.002 . . . . 0.0 111.489 167.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.253 11.7 p80 -52.99 -51.29 62.11 Favored 'General case' 2 N--CA 1.597 6.898 0 C-N-CA 126.176 1.79 . . . . 0.0 113.869 175.892 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.1 p -56.85 -37.84 71.85 Favored 'General case' 2 N--CA 1.558 4.955 0 C-N-CA 127.321 2.248 . . . . 0.0 114.139 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.88 -22.8 62.23 Favored 'General case' 2 C--N 1.446 4.77 0 C-N-CA 128.979 2.912 . . . . 0.0 114.476 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.46 -29.53 17.89 Favored 'General case' 1 C--N 1.459 5.34 0 C-N-CA 127.184 2.194 . . . . 0.0 113.352 174.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.46 -40.75 29.05 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.561 0 C-N-CA 127.714 2.406 . . . . 0.0 110.447 173.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.08 -21.78 66.41 Favored 'General case' 2 N--CA 1.595 6.799 0 C-N-CA 128.944 2.897 . . . . 0.0 115.774 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.2 61.52 Favored 'General case' 0 C--N 1.422 3.744 0 C-N-CA 126.938 2.095 . . . . 0.0 111.44 169.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.448 ' HA ' HG21 ' A' ' 88' ' ' VAL 0.258 15.4 mt -92.53 -38.13 12.11 Favored 'General case' 1 C--N 1.46 5.412 0 C-N-CA 127.521 2.328 . . . . 0.0 115.882 178.54 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -79.36 -35.02 41.51 Favored 'General case' 1 N--CA 1.546 4.361 0 C-N-CA 128.159 2.584 . . . . 0.0 113.264 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.29 40.8 mt-10 -87.28 -23.56 24.64 Favored 'General case' 2 N--CA 1.593 6.68 0 N-CA-C 119.754 3.242 . . . . 0.0 119.754 -177.664 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -23.89 64.06 Favored 'General case' 3 N--CA 1.59 6.556 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.35 -35.02 5.18 Favored Glycine 1 C--N 1.425 5.515 0 N-CA-C 120.188 2.835 . . . . 0.0 120.188 166.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.8 t -167.77 -33.12 0.02 OUTLIER 'General case' 1 N--CA 1.553 4.7 0 C-N-CA 127.715 2.406 . . . . 0.0 111.504 -172.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.3 26.4 mm -125.78 116.26 45.6 Favored 'Isoleucine or valine' 2 C--N 1.444 4.682 0 C-N-CA 125.262 1.425 . . . . 0.0 109.534 -175.876 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.448 HG21 ' HA ' ' A' ' 81' ' ' LEU 0.327 0.8 OUTLIER -120.94 125.36 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.148 0 C-N-CA 128.638 2.775 . . . . 0.0 111.559 -176.191 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.4 30.2 ptt180 -117.68 102.0 8.79 Favored 'General case' 1 N--CA 1.564 5.265 0 C-N-CA 126.637 1.975 . . . . 0.0 115.731 -174.486 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.49 137.39 34.61 Favored 'General case' 0 C--N 1.416 3.492 0 C-N-CA 127.028 2.131 . . . . 0.0 113.947 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -117.45 112.33 20.51 Favored 'General case' 0 C--O 1.305 3.999 0 C-N-CA 126.722 2.009 . . . . 0.0 110.765 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.268 35.0 m -106.11 159.66 6.05 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.176 0 O-C-N 126.719 2.512 . . . . 0.0 115.249 -174.434 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.302 26.0 ptt? -125.15 117.15 23.26 Favored 'General case' 1 N--CA 1.563 5.196 0 C-N-CA 127.778 2.431 . . . . 0.0 114.09 -175.349 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -114.92 147.44 39.98 Favored 'General case' 0 CA--C 1.616 3.497 0 C-N-CA 127.91 2.484 . . . . 0.0 108.666 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -81.65 142.53 32.66 Favored 'General case' 1 CA--C 1.635 4.222 0 C-N-CA 127.468 2.307 . . . . 0.0 113.184 -175.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -65.04 130.77 94.98 Favored Pre-proline 2 CA--C 1.672 5.647 0 C-N-CA 129.372 3.069 . . . . 0.0 115.955 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.77 128.66 14.46 Favored 'Trans proline' 3 C--N 1.548 11.038 0 C-N-CA 123.575 2.85 . . . . 0.0 116.299 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -70.73 -34.52 11.22 Favored 'Trans proline' 3 C--N 1.547 10.987 0 C-N-CA 123.781 2.987 . . . . 0.0 117.679 177.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.449 4.915 0 C-N-CA 126.482 1.913 . . . . 0.0 112.685 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.449 14.2 m . . . . . 0 N--CA 1.538 3.935 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.267 5.1 m -108.02 2.16 9.76 Favored 'Isoleucine or valine' 2 N--CA 1.548 4.451 0 C-N-CA 128.517 2.727 . . . . 0.0 112.528 176.259 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -128.66 -8.86 5.06 Favored 'General case' 2 C--N 1.443 4.64 0 C-N-CA 126.6 1.96 . . . . 0.0 114.202 -171.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.316 25.9 tt0 -46.66 -96.31 0.0 OUTLIER 'General case' 2 CA--C 1.656 5.036 0 C-N-CA 130.17 3.388 . . . . 0.0 117.921 -168.931 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.341 4.8 tmt_? 50.33 72.13 0.36 Allowed 'General case' 3 C--N 1.479 6.201 0 C-N-CA 128.876 2.871 . . . . 0.0 111.194 -168.694 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.47 15.0 tt -80.89 -84.02 0.06 OUTLIER 'Isoleucine or valine' 2 CA--C 1.643 4.541 0 C-N-CA 126.01 1.724 . . . . 0.0 113.39 -171.126 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.261 68.2 m 48.48 22.33 0.47 Allowed 'General case' 3 N--CA 1.614 7.741 0 C-N-CA 129.104 2.962 . . . . 0.0 117.016 -179.374 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -82.64 -172.77 4.25 Favored 'General case' 3 CA--C 1.643 4.523 0 C-N-CA 127.951 2.501 . . . . 0.0 114.788 -172.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.262 2.9 t . . . . . 2 N--CA 1.552 4.632 0 C-N-CA 126.786 2.034 . . . . 0.0 109.651 -174.373 . . . . . . . . 2 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.575 0 CA-C-O 119.401 -0.666 . . . . 0.0 112.835 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.45 133.99 51.15 Favored 'General case' 0 C--N 1.425 3.86 0 C-N-CA 126.55 1.94 . . . . 0.0 112.913 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.6 mtt -103.22 130.06 50.34 Favored 'General case' 2 N--CA 1.549 4.515 0 C-N-CA 126.184 1.794 . . . . 0.0 113.881 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -120.56 161.48 21.24 Favored 'General case' 1 N--CA 1.547 4.413 0 C-N-CA 127.326 2.25 . . . . 0.0 112.186 -177.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.328 26.5 ptt? -76.74 169.87 17.5 Favored 'General case' 2 CA--C 1.648 4.713 0 C-N-CA 127.762 2.425 . . . . 0.0 115.101 -177.962 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.353 10.3 pt-20 -108.72 113.8 27.06 Favored 'General case' 1 C--N 1.428 4.017 0 C-N-CA 126.687 1.995 . . . . 0.0 113.003 -174.257 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -100.55 142.27 32.26 Favored 'General case' 1 N--CA 1.543 4.195 0 C-N-CA 126.521 1.928 . . . . 0.0 113.314 -174.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -127.08 132.86 50.56 Favored 'General case' 1 C--N 1.432 4.195 0 C-N-CA 124.748 1.219 . . . . 0.0 110.78 -177.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.294 11.7 pt-20 -105.96 112.72 25.89 Favored 'General case' 0 C--N 1.42 3.657 0 C-N-CA 126.442 1.897 . . . . 0.0 112.595 175.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -111.64 139.24 36.87 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.623 0 C-N-CA 124.726 1.21 . . . . 0.0 109.265 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.8 m -121.57 121.06 36.59 Favored 'General case' 0 N--CA 1.529 3.478 0 C-N-CA 126.003 1.721 . . . . 0.0 108.284 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -117.32 142.61 46.88 Favored 'General case' 0 C--N 1.403 2.9 0 C-N-CA 127.372 2.269 . . . . 0.0 111.537 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.299 0.0 OUTLIER -95.06 135.4 36.65 Favored 'General case' 0 C--N 1.417 3.521 0 C-N-CA 124.864 1.266 . . . . 0.0 110.89 166.664 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HA ' HD21 ' A' ' 19' ' ' LEU 0.342 47.0 mtp180 -64.32 107.2 1.27 Allowed 'General case' 1 N--CA 1.542 4.171 0 C-N-CA 128.003 2.521 . . . . 0.0 116.529 -172.957 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.88 174.62 54.8 Favored Glycine 2 C--N 1.432 5.896 0 CA-C-N 112.663 -2.062 . . . . 0.0 117.897 -175.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -83.87 -26.51 29.38 Favored 'General case' 1 N--CA 1.563 5.194 0 C-N-CA 127.301 2.24 . . . . 0.0 114.65 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.2 p -93.09 -21.34 19.76 Favored 'General case' 1 C--N 1.438 4.433 0 C-N-CA 126.611 1.964 . . . . 0.0 115.51 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.21 37.99 1.42 Allowed Glycine 1 C--N 1.453 7.08 0 C-N-CA 124.644 1.116 . . . . 0.0 112.917 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.552 HD21 ' HA ' ' A' ' 14' ' ' ARG 0.456 4.5 mt 72.93 -23.5 0.21 Allowed 'General case' 2 N--CA 1.564 5.255 0 C-N-CA 130.916 3.686 . . . . 0.0 118.482 176.652 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.45 27.12 9.41 Favored Glycine 1 C--N 1.413 4.834 0 N-CA-C 117.009 1.564 . . . . 0.0 117.009 175.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -154.96 169.17 24.7 Favored 'General case' 1 C--N 1.449 4.921 0 C-N-CA 127.315 2.246 . . . . 0.0 109.932 176.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 70.8 m -136.2 143.24 44.27 Favored 'General case' 1 C--N 1.444 4.699 0 C-N-CA 125.208 1.403 . . . . 0.0 110.484 169.229 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.544 2.1 pp -120.82 125.82 74.51 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.676 0 N-CA-C 119.444 3.127 . . . . 0.0 119.444 -176.788 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.26 131.85 49.99 Favored 'General case' 1 C--N 1.442 4.59 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.156 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.74 167.58 33.68 Favored Glycine 1 N--CA 1.519 4.178 0 C-N-CA 125.338 1.446 . . . . 0.0 113.642 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.37 125.22 0.87 Allowed Glycine 1 C--N 1.403 4.254 0 N-CA-C 119.444 2.538 . . . . 0.0 119.444 176.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.279 16.3 p -96.86 -30.42 13.15 Favored 'General case' 1 N--CA 1.566 5.355 0 C-N-CA 125.083 1.353 . . . . 0.0 113.019 162.3 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -109.77 -37.15 5.73 Favored 'General case' 1 C--N 1.436 4.345 0 C-N-CA 124.797 1.239 . . . . 0.0 112.965 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -101.25 142.56 24.85 Favored Pre-proline 2 CA--C 1.649 4.772 0 C-N-CA 126.944 2.097 . . . . 0.0 114.04 -178.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.41 162.58 20.13 Favored 'Trans proline' 3 C--N 1.548 11.073 0 C-N-CA 124.2 3.267 . . . . 0.0 118.554 176.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 6.6 t60 -122.27 -55.27 1.86 Allowed 'General case' 2 CA--C 1.638 4.336 0 C-N-CA 128.617 2.767 . . . . 0.0 109.99 172.258 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.54 HG22 ' HB2' ' A' ' 35' ' ' ASP 0.28 0.5 OUTLIER -124.58 22.17 3.95 Favored 'Isoleucine or valine' 2 CA--C 1.666 5.428 0 C-N-CA 127.457 2.303 . . . . 0.0 111.998 -170.676 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.1 -60.11 0.68 Allowed Glycine 0 C--N 1.394 3.804 0 C-N-CA 125.581 1.562 . . . . 0.0 112.931 -167.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -172.07 80.21 0.06 Allowed 'General case' 3 N--CA 1.558 4.937 0 C-N-CA 130.584 3.554 . . . . 0.0 107.716 175.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB2' HG22 ' A' ' 32' ' ' ILE . 6.4 t70 -110.45 139.89 21.97 Favored Pre-proline 2 CA--C 1.672 5.657 0 C-N-CA 125.775 1.63 . . . . 0.0 113.351 178.093 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.61 -19.89 11.09 Favored 'Trans proline' 3 C--N 1.554 11.366 0 C-N-CA 124.03 3.153 . . . . 0.0 118.776 174.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m -95.94 148.21 22.87 Favored 'General case' 2 N--CA 1.559 4.988 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 -172.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.602 ' CB ' ' CA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -89.95 128.7 41.75 Favored 'Isoleucine or valine' 3 CA--C 1.662 5.273 0 C-N-CA 128.049 2.54 . . . . 0.0 108.74 175.765 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -141.67 166.45 24.7 Favored 'General case' 2 C--O 1.33 5.324 0 C-N-CA 126.907 2.083 . . . . 0.0 110.781 175.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -87.86 139.87 16.68 Favored 'Isoleucine or valine' 1 C--N 1.466 5.663 0 C-N-CA 126.435 1.894 . . . . 0.0 108.209 169.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 6.3 p -142.94 -25.95 0.6 Allowed 'General case' 1 N--CA 1.553 4.715 0 C-N-CA 127.307 2.243 . . . . 0.0 113.485 -175.064 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 10.2 tmtt? -128.4 128.42 44.44 Favored 'General case' 1 C--N 1.475 6.051 0 C-N-CA 123.482 0.713 . . . . 0.0 111.156 178.32 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.624 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.273 46.0 mm -124.37 130.68 73.53 Favored 'Isoleucine or valine' 0 C--N 1.414 3.379 0 C-N-CA 127.056 2.142 . . . . 0.0 108.577 174.577 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.3 mp -86.54 129.66 52.17 Favored Pre-proline 1 CA--C 1.679 5.941 0 C-N-CA 126.22 1.808 . . . . 0.0 110.263 173.436 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.75 -21.81 69.59 Favored 'Trans proline' 3 C--N 1.538 10.551 0 C-N-CA 124.436 3.424 . . . . 0.0 117.888 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.06 38.94 1.93 Allowed Glycine 1 C--N 1.428 5.676 0 CA-C-O 118.068 -1.407 . . . . 0.0 116.14 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.16 -177.8 38.97 Favored Glycine 2 C--N 1.442 6.449 0 C-N-CA 125.232 1.396 . . . . 0.0 116.35 174.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.99 -37.66 28.88 Favored 'General case' 0 N--CA 1.536 3.858 0 C-N-CA 128.686 2.794 . . . . 0.0 115.589 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.68 -25.76 35.26 Favored 'General case' 2 N--CA 1.555 4.81 0 C-N-CA 127.826 2.451 . . . . 0.0 115.851 177.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 -40.97 19.11 Favored 'General case' 1 C--N 1.45 4.965 0 C-N-CA 127.535 2.334 . . . . 0.0 113.323 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -90.7 -58.14 2.58 Favored 'General case' 1 C--N 1.451 4.983 0 C-N-CA 127.329 2.251 . . . . 0.0 114.23 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.39 -29.31 17.15 Favored 'General case' 2 C--N 1.46 5.371 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -37.44 13.19 Favored Glycine 2 C--N 1.438 6.242 0 N-CA-C 118.14 2.016 . . . . 0.0 118.14 -172.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.411 32.1 mmt180 87.46 17.34 0.08 Allowed 'General case' 2 N--CA 1.595 6.8 0 C-N-CA 130.094 3.358 . . . . 0.0 115.736 179.258 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 tp -90.69 127.82 36.43 Favored 'General case' 1 C--N 1.436 4.348 0 C-N-CA 126.786 2.034 . . . . 0.0 112.941 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.06 155.15 23.21 Favored 'General case' 0 N--CA 1.522 3.172 0 C-N-CA 128.369 2.668 . . . . 0.0 110.2 172.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.3 -26.66 22.64 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.1 0 C-N-CA 128.91 2.884 . . . . 0.0 115.944 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -91.85 8.85 35.36 Favored 'General case' 1 CA--C 1.67 5.579 0 C-N-CA 128.733 2.813 . . . . 0.0 112.305 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.37 -33.77 21.93 Favored 'General case' 2 C--N 1.489 6.647 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.26 68.8 m 45.94 120.09 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.401 0 C-N-CA 129.826 3.25 . . . . 0.0 116.811 175.719 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.592 HG21 HG13 ' A' ' 64' ' ' VAL . 10.3 mt -83.88 130.78 35.3 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.924 0 C-N-CA 124.892 1.277 . . . . 0.0 110.686 -176.507 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.269 1.5 pt? -96.0 -45.75 6.79 Favored 'General case' 1 C--N 1.433 4.202 0 O-C-N 125.295 1.622 . . . . 0.0 112.558 167.842 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.65 132.15 45.28 Favored 'General case' 2 C--N 1.449 4.923 0 O-C-N 124.764 1.29 . . . . 0.0 114.382 -176.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.592 HG13 HG21 ' A' ' 61' ' ' ILE 0.554 1.1 m -118.73 131.5 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.828 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 175.499 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.259 12.8 t-20 77.12 -74.15 0.08 Allowed 'General case' 2 N--CA 1.571 5.592 0 C-N-CA 130.78 3.632 . . . . 0.0 108.937 -176.07 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -156.92 5.03 0.15 Allowed 'General case' 1 CA--C 1.671 5.604 1 C-N-CA 132.565 4.346 . . . . 0.0 106.884 171.074 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 64' ' ' VAL 0.392 5.5 m -92.93 154.83 3.17 Favored 'Isoleucine or valine' 1 C--N 1.463 5.523 0 C-N-CA 127.897 2.479 . . . . 0.0 115.218 -169.687 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.06 100.38 12.6 Favored 'General case' 0 C--N 1.41 3.199 0 CA-C-N 111.89 -2.414 . . . . 0.0 111.51 -175.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.384 0.9 OUTLIER -103.81 19.28 4.01 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.032 0 C-N-CA 127.409 2.284 . . . . 0.0 112.235 177.389 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.93 -28.06 61.33 Favored 'General case' 1 N--CA 1.548 4.445 0 C-N-CA 128.227 2.611 . . . . 0.0 113.145 171.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -159.64 84.51 0.76 Allowed 'General case' 1 C--N 1.477 6.11 0 C-N-CA 127.985 2.514 . . . . 0.0 110.206 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.281 35.2 m -146.72 169.14 5.24 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.354 0 C-N-CA 127.248 2.219 . . . . 0.0 110.909 176.905 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -80.21 161.66 25.07 Favored 'General case' 1 N--CA 1.56 5.036 0 C-N-CA 126.654 1.982 . . . . 0.0 110.548 166.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.274 19.5 p80 -53.46 -50.73 64.67 Favored 'General case' 2 N--CA 1.604 7.265 0 C-N-CA 125.038 1.335 . . . . 0.0 114.312 177.033 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.3 p -56.06 -37.32 69.12 Favored 'General case' 2 N--CA 1.556 4.858 0 C-N-CA 127.562 2.345 . . . . 0.0 114.167 175.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.26 -23.75 62.04 Favored 'General case' 1 C--N 1.447 4.813 0 C-N-CA 129.015 2.926 . . . . 0.0 114.396 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.46 -29.52 17.9 Favored 'General case' 1 C--N 1.461 5.454 0 C-N-CA 126.54 1.936 . . . . 0.0 113.117 174.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -74.67 -40.8 47.79 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.828 0 C-N-CA 127.645 2.378 . . . . 0.0 110.566 173.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -61.39 -26.12 67.64 Favored 'General case' 2 N--CA 1.574 5.746 0 C-N-CA 129.37 3.068 . . . . 0.0 115.117 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.37 -27.79 62.62 Favored 'General case' 1 C--N 1.442 4.625 0 C-N-CA 128.212 2.605 . . . . 0.0 112.141 170.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -92.12 -31.23 15.59 Favored 'General case' 1 C--N 1.455 5.162 0 C-N-CA 127.822 2.449 . . . . 0.0 115.313 178.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -83.24 -24.97 32.1 Favored 'General case' 0 N--CA 1.53 3.528 0 C-N-CA 127.795 2.438 . . . . 0.0 113.003 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.392 10.7 pt-20 -72.86 -45.54 57.73 Favored 'General case' 2 N--CA 1.58 6.029 0 N-CA-C 118.856 2.91 . . . . 0.0 118.856 175.387 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -19.84 63.55 Favored 'General case' 3 C--N 1.451 5.003 0 C-N-CA 126.42 1.888 . . . . 0.0 115.502 -174.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.09 -34.61 1.94 Allowed Glycine 1 C--N 1.42 5.226 0 N-CA-C 122.385 3.714 . . . . 0.0 122.385 168.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -154.74 -32.24 0.1 Allowed 'General case' 0 N--CA 1.539 3.996 0 C-N-CA 127.025 2.13 . . . . 0.0 111.942 -169.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.621 ' CA ' ' CB ' ' A' ' 87' ' ' ILE 0.294 40.5 mm -129.47 105.15 12.02 Favored 'Isoleucine or valine' 2 C--N 1.435 4.318 0 C-N-CA 125.57 1.548 . . . . 0.0 109.003 -176.091 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.307 0.0 OUTLIER -113.08 120.06 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.431 0 O-C-N 125.673 1.858 . . . . 0.0 114.092 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HB3' HG23 ' A' ' 11' ' ' THR 0.4 36.7 ptt180 -112.6 108.23 17.23 Favored 'General case' 1 N--CA 1.554 4.754 0 C-N-CA 126.3 1.84 . . . . 0.0 115.257 -177.163 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.42 141.82 32.75 Favored 'General case' 0 N--CA 1.53 3.546 0 C-N-CA 128.724 2.809 . . . . 0.0 113.895 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -119.31 112.6 19.65 Favored 'General case' 0 C--O 1.302 3.84 0 C-N-CA 126.624 1.97 . . . . 0.0 111.108 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.276 34.3 m -106.99 159.93 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.418 0 O-C-N 126.687 2.492 . . . . 0.0 115.319 -174.952 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.304 25.4 ptt? -124.02 117.82 25.6 Favored 'General case' 1 N--CA 1.566 5.368 0 C-N-CA 127.56 2.344 . . . . 0.0 114.495 -175.501 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -122.09 147.21 46.4 Favored 'General case' 1 N--CA 1.54 4.052 0 C-N-CA 127.779 2.432 . . . . 0.0 110.234 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -71.01 142.34 50.94 Favored 'General case' 1 N--CA 1.561 5.082 0 C-N-CA 128.086 2.554 . . . . 0.0 116.353 -177.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.268 22.0 pttm -64.31 141.24 98.12 Favored Pre-proline 2 CA--C 1.673 5.675 0 C-N-CA 129.104 2.962 . . . . 0.0 116.884 -178.138 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -68.22 153.74 73.87 Favored 'Trans proline' 3 C--N 1.554 11.354 0 C-N-CA 124.088 3.192 . . . . 0.0 116.635 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -65.57 141.16 65.75 Favored 'Trans proline' 3 C--N 1.555 11.438 0 C-N-CA 124.11 3.207 . . . . 0.0 116.896 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.434 4.274 0 C-N-CA 126.549 1.94 . . . . 0.0 113.043 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.554 3.7 m . . . . . 1 N--CA 1.545 4.286 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.918 15.7 m -76.47 74.97 0.51 Allowed 'Isoleucine or valine' 1 N--CA 1.553 4.722 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 -178.039 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 59.3 p -122.45 106.59 11.18 Favored 'General case' 0 C--N 1.41 3.204 0 C-N-CA 129.937 3.295 . . . . 0.0 109.225 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.317 0.8 OUTLIER -155.95 -54.85 0.09 Allowed 'General case' 1 N--CA 1.555 4.792 0 C-N-CA 126.688 1.995 . . . . 0.0 114.832 -177.585 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.369 99.8 mtt180 75.79 77.73 0.1 Allowed 'General case' 2 N--CA 1.573 5.695 0 C-N-CA 130.033 3.333 . . . . 0.0 110.451 -165.491 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.512 11.3 tp -97.31 71.43 0.53 Allowed 'Isoleucine or valine' 2 N--CA 1.542 4.167 0 C-N-CA 125.328 1.451 . . . . 0.0 113.623 -175.186 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 72.7 m -125.08 24.52 7.48 Favored 'General case' 2 N--CA 1.561 5.083 0 C-N-CA 128.698 2.799 . . . . 0.0 112.101 176.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -80.96 -169.32 2.17 Favored 'General case' 3 CA--C 1.649 4.771 0 C-N-CA 128.269 2.628 . . . . 0.0 115.364 -172.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.492 HG12 HD12 ' A' ' 19' ' ' LEU . 3.2 t . . . . . 2 N--CA 1.552 4.643 0 C-N-CA 127.112 2.165 . . . . 0.0 108.819 -174.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.566 0 CA-C-O 119.868 -0.407 . . . . 0.0 112.864 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . 0.339 . . 60.6 122.84 0.01 OUTLIER 'General case' 2 N--CA 1.586 6.348 0 C-N-CA 130.14 3.376 . . . . 0.0 117.279 -179.836 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -111.07 143.81 41.2 Favored 'General case' 0 N--CA 1.537 3.904 0 C-N-CA 126.533 1.933 . . . . 0.0 113.185 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -87.21 165.42 15.71 Favored 'General case' 1 N--CA 1.551 4.586 0 C-N-CA 127.154 2.182 . . . . 0.0 114.152 -177.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.254 20.6 ptp -104.87 158.06 16.79 Favored 'General case' 0 CA--C 1.628 3.949 0 C-N-CA 128.629 2.772 . . . . 0.0 114.569 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.329 10.1 pt-20 -129.37 117.67 20.97 Favored 'General case' 1 N--CA 1.547 4.383 0 C-N-CA 128.628 2.771 . . . . 0.0 111.356 -179.898 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -95.44 145.68 24.98 Favored 'General case' 1 N--CA 1.558 4.926 0 C-N-CA 126.538 1.935 . . . . 0.0 114.061 -171.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -128.06 132.81 49.03 Favored 'General case' 2 C--N 1.445 4.745 0 C-N-CA 124.699 1.2 . . . . 0.0 111.3 -177.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.285 11.6 pt-20 -106.91 113.26 26.63 Favored 'General case' 0 N--CA 1.536 3.864 0 C-N-CA 126.627 1.971 . . . . 0.0 112.474 175.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mt -113.23 143.49 22.81 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.927 0 C-N-CA 125.414 1.486 . . . . 0.0 110.475 -177.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.261 0.5 OUTLIER -111.57 122.22 47.23 Favored 'General case' 0 N--CA 1.538 3.931 0 C-N-CA 127.005 2.122 . . . . 0.0 113.243 170.11 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -118.68 149.34 41.59 Favored 'General case' 0 N--CA 1.525 3.311 0 C-N-CA 127.676 2.39 . . . . 0.0 112.62 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.356 0.5 OUTLIER -101.51 129.6 47.61 Favored 'General case' 0 C--N 1.424 3.817 0 C-N-CA 125.199 1.4 . . . . 0.0 111.611 168.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -60.61 110.09 1.2 Allowed 'General case' 2 N--CA 1.55 4.569 0 C-N-CA 128.065 2.546 . . . . 0.0 113.121 -170.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.0 148.69 44.93 Favored Glycine 2 N--CA 1.539 5.507 0 N-CA-C 118.505 2.162 . . . . 0.0 118.505 -173.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -78.88 -27.15 43.96 Favored 'General case' 1 N--CA 1.568 5.457 0 C-N-CA 127.447 2.299 . . . . 0.0 113.825 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.2 m -90.58 -21.24 21.85 Favored 'General case' 1 C--N 1.441 4.562 0 C-N-CA 127.082 2.153 . . . . 0.0 112.714 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.2 54.66 0.48 Allowed Glycine 1 C--N 1.457 7.272 0 C-N-CA 125.598 1.57 . . . . 0.0 113.845 173.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.511 4.1 mm? 65.39 -44.89 0.36 Allowed 'General case' 2 C--N 1.449 4.905 0 N-CA-C 119.903 3.297 . . . . 0.0 119.903 -179.397 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.25 27.76 5.19 Favored Glycine 2 N--CA 1.525 4.576 0 C-N-CA 125.457 1.503 . . . . 0.0 115.953 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -156.16 166.19 34.17 Favored 'General case' 1 C--N 1.44 4.503 0 C-N-CA 128.759 2.824 . . . . 0.0 108.958 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.577 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.1 m -132.59 145.36 51.04 Favored 'General case' 1 C--N 1.441 4.567 0 C-N-CA 124.402 1.081 . . . . 0.0 111.462 169.024 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.479 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.583 2.0 pp -120.0 125.43 74.25 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.687 0 N-CA-C 120.121 3.378 . . . . 0.0 120.121 -175.153 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.67 119.37 39.24 Favored 'General case' 1 C--N 1.44 4.529 0 CA-C-N 113.348 -1.751 . . . . 0.0 112.848 -175.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.25 161.5 27.68 Favored Glycine 0 C--N 1.389 3.506 0 C-N-CA 125.496 1.522 . . . . 0.0 113.809 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.76 151.83 8.73 Favored Glycine 1 N--CA 1.523 4.498 0 N-CA-C 117.086 1.594 . . . . 0.0 117.086 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.266 12.2 p -98.41 -39.63 8.68 Favored 'General case' 1 N--CA 1.567 5.412 0 C-N-CA 126.161 1.784 . . . . 0.0 113.685 169.894 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.82 -36.85 8.93 Favored 'General case' 1 C--N 1.43 4.07 0 C-N-CA 126.19 1.796 . . . . 0.0 112.771 175.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -101.37 110.1 60.64 Favored Pre-proline 2 C--N 1.448 4.883 0 C-N-CA 127.184 2.194 . . . . 0.0 111.474 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -70.61 155.51 62.98 Favored 'Trans proline' 3 C--N 1.542 10.712 0 C-N-CA 123.619 2.879 . . . . 0.0 118.213 -177.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -101.94 -56.58 2.24 Favored 'General case' 0 C--N 1.427 3.97 0 C-N-CA 127.198 2.199 . . . . 0.0 111.518 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.298 2.9 tp -100.42 -24.24 4.17 Favored 'Isoleucine or valine' 1 CA--C 1.653 4.915 0 C-N-CA 126.913 2.085 . . . . 0.0 114.846 -168.928 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.5 -65.83 0.11 Allowed Glycine 0 C--N 1.39 3.561 0 C-N-CA 126.495 1.998 . . . . 0.0 113.411 -174.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -153.1 8.26 0.41 Allowed 'General case' 3 N--CA 1.578 5.961 0 C-N-CA 127.955 2.502 . . . . 0.0 115.144 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.67 143.79 44.48 Favored Pre-proline 3 CA--C 1.654 4.972 0 N-CA-C 117.568 2.433 . . . . 0.0 117.568 -168.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -72.83 -15.36 26.64 Favored 'Trans proline' 3 C--N 1.566 12.003 0 C-N-CA 124.645 3.563 . . . . 0.0 119.723 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.6 p -76.52 138.04 39.98 Favored 'General case' 2 N--CA 1.567 5.391 0 C-N-CA 126.753 2.021 . . . . 0.0 116.271 -174.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.585 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.254 0.5 OUTLIER -99.66 129.23 50.54 Favored 'Isoleucine or valine' 3 C--N 1.446 4.762 0 C-N-CA 126.024 1.729 . . . . 0.0 109.916 -179.427 . . . . . . . . 5 4 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -132.66 156.83 46.25 Favored 'General case' 2 N--CA 1.549 4.508 0 C-N-CA 128.227 2.611 . . . . 0.0 111.457 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mm -84.23 144.61 9.53 Favored 'Isoleucine or valine' 2 C--N 1.463 5.514 0 C-N-CA 125.86 1.664 . . . . 0.0 109.491 169.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.274 2.6 p -146.01 -28.39 0.42 Allowed 'General case' 1 N--CA 1.558 4.93 0 C-N-CA 127.667 2.387 . . . . 0.0 113.273 -177.804 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.577 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.273 51.9 tptt -121.58 127.26 50.73 Favored 'General case' 1 C--N 1.463 5.519 0 C-N-CA 124.573 1.149 . . . . 0.0 113.1 177.853 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.624 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 42.9 mm -126.64 125.56 67.28 Favored 'Isoleucine or valine' 0 C--N 1.412 3.322 0 C-N-CA 127.442 2.297 . . . . 0.0 108.133 171.856 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.566 ' CA ' ' CB ' ' A' ' 44' ' ' ILE 0.29 2.9 mp -81.4 127.72 72.5 Favored Pre-proline 2 CA--C 1.681 5.999 0 C-N-CA 127.246 2.219 . . . . 0.0 110.424 172.461 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -62.86 -21.75 73.34 Favored 'Trans proline' 3 C--N 1.541 10.683 0 C-N-CA 124.347 3.364 . . . . 0.0 117.74 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.48 36.74 2.4 Favored Glycine 1 C--N 1.428 5.664 0 CA-C-O 117.941 -1.477 . . . . 0.0 116.221 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.79 -178.75 40.66 Favored Glycine 3 C--N 1.447 6.736 0 C-N-CA 124.971 1.272 . . . . 0.0 116.005 173.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.13 -37.57 28.64 Favored 'General case' 0 N--CA 1.535 3.795 0 C-N-CA 128.584 2.753 . . . . 0.0 115.616 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.65 -19.5 41.59 Favored 'General case' 2 N--CA 1.562 5.161 0 C-N-CA 126.816 2.047 . . . . 0.0 116.269 176.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.64 -42.13 12.2 Favored 'General case' 1 C--N 1.442 4.63 0 C-N-CA 127.46 2.304 . . . . 0.0 113.543 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.33 -55.48 3.58 Favored 'General case' 2 C--N 1.452 5.027 0 C-N-CA 126.849 2.06 . . . . 0.0 114.09 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.23 -24.16 19.97 Favored 'General case' 2 C--N 1.457 5.254 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -178.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.44 -43.15 5.31 Favored Glycine 2 C--N 1.439 6.289 0 N-CA-C 117.602 1.801 . . . . 0.0 117.602 -174.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.429 95.1 mtt180 90.27 10.96 0.06 Allowed 'General case' 2 N--CA 1.603 7.177 0 C-N-CA 130.384 3.474 . . . . 0.0 116.244 179.828 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.42 125.25 32.85 Favored 'General case' 1 C--N 1.436 4.368 0 C-N-CA 126.83 2.052 . . . . 0.0 113.905 179.311 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -111.66 161.32 16.37 Favored 'General case' 0 N--CA 1.533 3.677 0 C-N-CA 128.624 2.77 . . . . 0.0 111.175 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.563 HG13 HG12 ' A' ' 43' ' ' ILE 0.29 4.2 m -51.41 -30.62 10.88 Favored 'Isoleucine or valine' 2 N--CA 1.626 8.366 0 C-N-CA 128.116 2.567 . . . . 0.0 116.438 176.196 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.276 3.2 p-10 -90.09 7.79 36.02 Favored 'General case' 1 CA--C 1.652 4.896 0 C-N-CA 128.679 2.792 . . . . 0.0 113.637 -177.931 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.36 -37.4 14.04 Favored 'General case' 2 C--N 1.49 6.693 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 178.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.263 23.2 t 46.76 120.98 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.413 0 C-N-CA 129.517 3.127 . . . . 0.0 116.043 177.247 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 mt -86.47 125.37 40.75 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.936 0 C-N-CA 124.761 1.224 . . . . 0.0 109.628 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.253 1.4 pt? -93.54 -45.27 7.82 Favored 'General case' 0 C--N 1.424 3.815 0 O-C-N 125.395 1.684 . . . . 0.0 112.151 169.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -130.6 130.1 43.59 Favored 'General case' 1 C--N 1.447 4.838 0 O-C-N 125.126 1.517 . . . . 0.0 113.403 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.457 HG11 HD22 ' A' ' 81' ' ' LEU 0.338 0.1 OUTLIER -120.92 132.51 70.22 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.681 0 O-C-N 123.435 0.459 . . . . 0.0 109.852 176.697 . . . . . . . . 5 4 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 72.58 1.48 4.0 Favored 'General case' 3 N--CA 1.612 7.635 0 C-N-CA 129.961 3.304 . . . . 0.0 112.23 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.388 47.4 mt-10 89.17 5.51 0.15 Allowed 'General case' 3 N--CA 1.585 6.302 0 C-N-CA 131.013 3.725 . . . . 0.0 112.076 -160.635 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 64' ' ' VAL 0.386 3.3 m -85.75 153.24 3.5 Favored 'Isoleucine or valine' 1 C--N 1.471 5.871 0 C-N-CA 127.565 2.346 . . . . 0.0 113.15 -179.721 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.444 4.4 p-10 -86.98 93.1 9.25 Favored 'General case' 0 C--N 1.399 2.722 0 O-C-N 126.237 2.211 . . . . 0.0 114.337 -174.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.345 1.0 OUTLIER -92.29 -7.45 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.626 3.888 0 C-N-CA 127.81 2.444 . . . . 0.0 113.383 179.092 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -62.79 -13.5 34.01 Favored 'General case' 2 CA--C 1.673 5.707 0 C-N-CA 128.277 2.631 . . . . 0.0 113.835 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -158.96 78.31 0.76 Allowed 'General case' 2 C--N 1.457 5.272 0 C-N-CA 127.597 2.359 . . . . 0.0 108.045 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.255 35.1 m -145.54 163.33 11.69 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.571 0 C-N-CA 127.69 2.396 . . . . 0.0 110.745 178.999 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.47 163.46 26.32 Favored 'General case' 1 N--CA 1.56 5.06 0 C-N-CA 126.475 1.91 . . . . 0.0 112.065 165.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -47.25 -58.16 4.4 Favored 'General case' 4 N--CA 1.578 5.949 0 C-N-CA 129.214 3.006 . . . . 0.0 112.792 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.4 t -63.49 -30.55 71.65 Favored 'General case' 2 C--N 1.455 5.16 0 C-N-CA 126.571 1.948 . . . . 0.0 112.712 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.74 -22.37 58.84 Favored 'General case' 1 C--N 1.458 5.309 0 C-N-CA 128.371 2.668 . . . . 0.0 114.012 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.1 -29.06 18.58 Favored 'General case' 1 C--N 1.469 5.788 0 C-N-CA 125.719 1.608 . . . . 0.0 112.788 172.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.8 t -72.41 -38.84 61.82 Favored 'Isoleucine or valine' 3 N--CA 1.605 7.325 0 C-N-CA 127.152 2.181 . . . . 0.0 110.213 170.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -57.3 -24.57 55.8 Favored 'General case' 2 N--CA 1.561 5.106 0 C-N-CA 129.275 3.03 . . . . 0.0 115.67 176.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.95 -27.59 57.6 Favored 'General case' 1 C--N 1.432 4.178 0 C-N-CA 127.377 2.271 . . . . 0.0 111.584 176.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD22 HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -92.95 -35.24 13.41 Favored 'General case' 1 C--N 1.442 4.605 0 C-N-CA 129.584 3.154 . . . . 0.0 112.92 -178.787 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -84.38 -28.71 26.78 Favored 'General case' 1 C--N 1.431 4.134 0 C-N-CA 127.441 2.297 . . . . 0.0 114.148 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.376 9.4 pt-20 -69.06 -43.68 74.12 Favored 'General case' 2 N--CA 1.582 6.14 0 N-CA-C 118.215 2.672 . . . . 0.0 118.215 176.487 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -17.56 64.14 Favored 'General case' 2 C--N 1.451 5.019 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 -174.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.32 -34.94 1.76 Allowed Glycine 1 C--N 1.421 5.271 0 N-CA-C 122.523 3.769 . . . . 0.0 122.523 168.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 t -151.84 -36.84 0.12 Allowed 'General case' 0 N--CA 1.531 3.621 0 C-N-CA 127.308 2.243 . . . . 0.0 111.289 -169.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.28 43.0 mm -129.35 122.46 55.82 Favored 'Isoleucine or valine' 2 C--N 1.441 4.544 0 C-N-CA 125.214 1.406 . . . . 0.0 109.548 -179.328 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.425 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.399 18.8 m -118.59 121.27 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.97 0 C-N-CA 126.953 2.101 . . . . 0.0 113.038 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.39 13.7 ptm180 -109.17 99.35 8.65 Favored 'General case' 1 N--CA 1.546 4.353 0 C-N-CA 126.054 1.742 . . . . 0.0 113.94 -179.355 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -99.05 139.9 34.01 Favored 'General case' 0 N--CA 1.527 3.399 0 C-N-CA 127.901 2.48 . . . . 0.0 113.742 -176.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -119.01 112.55 19.71 Favored 'General case' 1 C--O 1.312 4.364 0 C-N-CA 126.536 1.934 . . . . 0.0 111.207 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.5 m -106.18 159.1 6.26 Favored 'Isoleucine or valine' 2 N--CA 1.556 4.871 0 O-C-N 127.165 2.791 . . . . 0.0 115.207 -176.444 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 25.5 ptt? -119.79 110.87 17.28 Favored 'General case' 1 N--CA 1.556 4.857 0 C-N-CA 127.792 2.437 . . . . 0.0 113.709 -176.759 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -117.69 146.87 43.42 Favored 'General case' 0 CA--C 1.623 3.763 0 C-N-CA 127.382 2.273 . . . . 0.0 109.057 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -99.19 144.27 28.51 Favored 'General case' 1 N--CA 1.554 4.741 0 C-N-CA 126.926 2.09 . . . . 0.0 114.291 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -64.82 131.11 95.07 Favored Pre-proline 3 N--CA 1.571 5.601 0 C-N-CA 127.802 2.441 . . . . 0.0 116.408 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -62.93 -35.76 64.68 Favored 'Trans proline' 3 C--N 1.555 11.411 0 C-N-CA 124.694 3.596 . . . . 0.0 120.235 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -41.59 -35.21 2.46 Favored 'Trans proline' 3 C--N 1.574 12.407 1 C-N-CA 125.532 4.155 . . . . 0.0 120.717 -176.864 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . 0.383 . . . . . . . 2 N--CA 1.58 6.06 0 C-N-CA 129.394 3.078 . . . . 0.0 117.315 178.71 . . . . . . . . 2 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.429 9.8 p . . . . . 0 CA--C 1.599 2.834 0 CA-C-O 121.977 0.894 . . . . 0.0 112.129 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.288 13.0 p -99.01 -15.25 7.48 Favored 'Isoleucine or valine' 1 CA--C 1.663 5.323 0 C-N-CA 128.83 2.852 . . . . 0.0 117.122 -164.333 . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -103.13 -32.16 9.79 Favored 'General case' 2 N--CA 1.573 5.7 0 N-CA-C 119.335 3.087 . . . . 0.0 119.335 -165.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.02 176.05 5.18 Favored 'General case' 2 CA--C 1.645 4.603 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -169.585 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.295 0.4 OUTLIER -104.52 -40.12 6.16 Favored 'General case' 1 C--N 1.436 4.339 0 C-N-CA 127.293 2.237 . . . . 0.0 114.202 175.007 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.669 0.6 OUTLIER 73.56 80.58 0.05 OUTLIER 'Isoleucine or valine' 2 C--N 1.461 5.436 0 C-N-CA 128.782 2.833 . . . . 0.0 116.348 -179.115 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 71.7 m -126.95 6.48 6.59 Favored 'General case' 2 N--CA 1.573 5.706 0 C-N-CA 126.961 2.104 . . . . 0.0 114.854 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.479 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 62.5 m -78.16 -177.36 5.06 Favored 'General case' 3 N--CA 1.561 5.12 0 C-N-CA 127.757 2.423 . . . . 0.0 116.133 -172.797 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 2 C--N 1.452 5.027 0 C-N-CA 126.792 2.037 . . . . 0.0 107.069 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.519 0 CA-C-O 119.529 -0.595 . . . . 0.0 112.883 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.72 128.84 55.22 Favored 'General case' 0 C--N 1.426 3.903 0 C-N-CA 126.508 1.923 . . . . 0.0 112.769 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 45.8 mtt -110.67 127.17 55.18 Favored 'General case' 1 N--CA 1.547 4.386 0 C-N-CA 126.307 1.843 . . . . 0.0 113.671 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.372 10.7 pt-20 -110.55 157.47 19.61 Favored 'General case' 0 N--CA 1.535 3.811 0 C-N-CA 127.074 2.15 . . . . 0.0 115.317 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.279 20.9 ptt? -96.29 148.0 23.2 Favored 'General case' 0 N--CA 1.537 3.911 0 C-N-CA 127.868 2.467 . . . . 0.0 114.052 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.387 10.5 pt-20 -126.11 120.33 29.89 Favored 'General case' 1 N--CA 1.559 4.98 0 C-N-CA 127.099 2.159 . . . . 0.0 113.742 -176.919 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.86 140.88 31.58 Favored 'General case' 1 N--CA 1.552 4.659 0 C-N-CA 125.839 1.656 . . . . 0.0 113.446 -174.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -125.28 129.49 50.12 Favored 'General case' 1 C--N 1.434 4.261 0 O-C-N 124.694 1.246 . . . . 0.0 111.028 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.292 10.9 pt-20 -107.06 111.77 24.39 Favored 'General case' 0 N--CA 1.531 3.577 0 C-N-CA 126.846 2.058 . . . . 0.0 113.202 178.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mt -114.81 135.96 53.0 Favored 'Isoleucine or valine' 2 N--CA 1.552 4.644 0 C-N-CA 125.34 1.456 . . . . 0.0 109.77 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -117.46 121.19 40.36 Favored 'General case' 0 CA--C 1.619 3.616 0 C-N-CA 127.252 2.221 . . . . 0.0 108.264 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.2 mt -113.31 149.28 34.16 Favored 'General case' 0 N--CA 1.531 3.618 0 C-N-CA 127.922 2.489 . . . . 0.0 112.416 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.281 11.4 pt-20 -106.9 126.31 52.14 Favored 'General case' 0 C--N 1.419 3.627 0 C-N-CA 126.024 1.729 . . . . 0.0 109.902 167.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -49.09 111.23 0.45 Allowed 'General case' 1 N--CA 1.563 5.194 0 C-N-CA 129.879 3.272 . . . . 0.0 114.344 -170.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.433 ' H ' HD13 ' A' ' 19' ' ' LEU . . . -65.66 168.48 31.61 Favored Glycine 3 N--CA 1.555 6.61 0 N-CA-C 118.282 2.073 . . . . 0.0 118.282 -177.321 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -73.12 -33.25 65.43 Favored 'General case' 1 N--CA 1.578 5.929 0 C-N-CA 127.21 2.204 . . . . 0.0 114.938 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -99.07 -17.85 18.03 Favored 'General case' 2 C--N 1.429 4.041 0 C-N-CA 127.286 2.235 . . . . 0.0 113.927 174.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.88 60.38 0.42 Allowed Glycine 1 C--N 1.445 6.627 0 C-N-CA 126.212 1.863 . . . . 0.0 110.92 -177.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD13 ' H ' ' A' ' 15' ' ' GLY 0.554 2.8 mm? 69.84 -89.11 0.03 OUTLIER 'General case' 1 C--N 1.446 4.788 0 C-N-CA 130.182 3.393 . . . . 0.0 115.52 -172.537 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.423 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . 153.35 39.52 0.02 OUTLIER Glycine 1 C--N 1.4 4.115 0 C-N-CA 125.526 1.536 . . . . 0.0 114.1 -179.186 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -156.84 168.46 27.38 Favored 'General case' 2 C--N 1.442 4.613 0 C-N-CA 129.071 2.948 . . . . 0.0 108.832 177.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 67.8 m -135.55 145.42 46.98 Favored 'General case' 1 C--N 1.446 4.788 0 C-N-CA 124.946 1.298 . . . . 0.0 110.586 169.229 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.406 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.515 2.3 pp -121.78 126.94 75.29 Favored 'Isoleucine or valine' 2 N--CA 1.572 5.663 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -174.72 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.23 117.05 33.12 Favored 'General case' 1 C--N 1.437 4.378 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.608 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.15 156.44 28.35 Favored Glycine 1 N--CA 1.516 4.022 0 C-N-CA 126.165 1.84 . . . . 0.0 113.068 -174.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.39 150.39 7.9 Favored Glycine 1 C--N 1.401 4.181 0 N-CA-C 118.277 2.071 . . . . 0.0 118.277 -170.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 p -102.57 -41.95 6.09 Favored 'General case' 1 N--CA 1.557 4.903 0 C-N-CA 126.412 1.885 . . . . 0.0 113.087 165.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -102.57 -31.98 10.14 Favored 'General case' 1 C--N 1.433 4.197 0 C-N-CA 126.506 1.922 . . . . 0.0 113.28 177.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -100.41 105.33 35.92 Favored Pre-proline 2 CA--C 1.653 4.927 0 C-N-CA 126.94 2.096 . . . . 0.0 112.45 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.66 169.29 22.7 Favored 'Trans proline' 3 C--N 1.545 10.914 0 C-N-CA 123.943 3.095 . . . . 0.0 117.06 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -125.25 -50.02 1.67 Allowed 'General case' 1 C--N 1.436 4.336 0 C-N-CA 127.042 2.137 . . . . 0.0 111.54 170.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.396 3.4 mm -115.0 4.23 7.7 Favored 'Isoleucine or valine' 2 N--CA 1.547 4.401 0 C-N-CA 127.101 2.16 . . . . 0.0 115.437 -167.835 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.89 59.56 0.56 Allowed Glycine 1 N--CA 1.522 4.431 0 C-N-CA 126.929 2.204 . . . . 0.0 115.843 -176.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.421 9.6 t70 69.48 70.44 0.25 Allowed 'General case' 2 N--CA 1.575 5.779 0 C-N-CA 130.633 3.573 . . . . 0.0 113.532 176.935 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.92 129.68 23.66 Favored Pre-proline 1 CA--C 1.645 4.633 0 C-N-CA 127.343 2.257 . . . . 0.0 114.486 178.007 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.58 -26.02 12.22 Favored 'Trans proline' 3 C--N 1.554 11.349 0 C-N-CA 124.265 3.31 . . . . 0.0 119.062 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.5 p -81.97 146.75 29.58 Favored 'General case' 2 N--CA 1.558 4.939 0 C-N-CA 126.877 2.071 . . . . 0.0 115.514 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.288 0.8 OUTLIER -94.54 113.2 28.58 Favored 'Isoleucine or valine' 3 C--N 1.449 4.924 0 C-N-CA 125.67 1.588 . . . . 0.0 109.081 -178.9 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -119.42 146.84 45.02 Favored 'General case' 0 N--CA 1.538 3.968 0 C-N-CA 129.426 3.09 . . . . 0.0 112.151 -168.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.76 139.88 16.66 Favored 'Isoleucine or valine' 2 C--N 1.45 4.949 0 C-N-CA 125.657 1.583 . . . . 0.0 109.966 175.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -141.3 -35.88 0.46 Allowed 'General case' 0 CA--C 1.619 3.629 0 C-N-CA 127.5 2.32 . . . . 0.0 109.89 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 7.7 tmtm? -125.95 128.69 47.9 Favored 'General case' 1 C--N 1.467 5.678 0 O-C-N 123.977 0.798 . . . . 0.0 111.468 -177.404 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.638 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.276 46.9 mm -124.7 128.5 73.43 Favored 'Isoleucine or valine' 0 C--N 1.415 3.415 0 C-N-CA 126.921 2.089 . . . . 0.0 108.731 174.286 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.293 3.1 mp -83.54 131.58 52.09 Favored Pre-proline 2 CA--C 1.68 5.946 0 C-N-CA 126.547 1.939 . . . . 0.0 110.768 173.317 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.64 -21.59 65.22 Favored 'Trans proline' 3 C--N 1.539 10.592 0 C-N-CA 124.24 3.293 . . . . 0.0 117.654 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.0 40.06 1.7 Allowed Glycine 1 C--N 1.428 5.668 0 CA-C-O 118.112 -1.382 . . . . 0.0 115.899 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -93.6 -177.54 39.85 Favored Glycine 2 C--N 1.442 6.45 0 C-N-CA 125.382 1.468 . . . . 0.0 116.28 174.57 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.63 -38.28 29.52 Favored 'General case' 0 N--CA 1.538 3.941 0 C-N-CA 128.946 2.898 . . . . 0.0 115.271 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.51 -25.48 35.91 Favored 'General case' 2 C--N 1.448 4.876 0 C-N-CA 126.944 2.098 . . . . 0.0 115.934 176.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.32 -42.52 17.02 Favored 'General case' 1 C--N 1.446 4.785 0 C-N-CA 127.208 2.203 . . . . 0.0 113.638 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -90.82 -55.29 3.62 Favored 'General case' 1 C--N 1.451 4.988 0 C-N-CA 127.277 2.231 . . . . 0.0 115.131 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.87 -34.35 15.29 Favored 'General case' 1 C--N 1.46 5.407 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -173.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.42 -48.03 4.42 Favored Glycine 2 C--N 1.441 6.381 0 N-CA-C 117.287 1.675 . . . . 0.0 117.287 -174.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.59 97.3 mtt180 87.25 57.71 0.01 OUTLIER 'General case' 2 N--CA 1.572 5.674 0 C-N-CA 130.582 3.553 . . . . 0.0 116.728 -178.943 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp -110.79 132.09 54.49 Favored 'General case' 0 C--N 1.415 3.443 0 C-N-CA 128.075 2.55 . . . . 0.0 111.46 171.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.28 153.99 25.12 Favored 'General case' 0 N--CA 1.526 3.374 0 C-N-CA 127.686 2.394 . . . . 0.0 110.214 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.12 -26.53 25.36 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.142 0 C-N-CA 128.593 2.757 . . . . 0.0 115.952 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -91.94 9.56 32.51 Favored 'General case' 1 CA--C 1.673 5.683 0 C-N-CA 129.11 2.964 . . . . 0.0 112.316 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.14 -35.34 18.69 Favored 'General case' 2 C--N 1.489 6.648 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m 47.36 125.01 0.0 OUTLIER 'General case' 2 N--CA 1.591 6.6 0 C-N-CA 129.236 3.014 . . . . 0.0 116.231 178.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -89.57 126.1 42.52 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.94 0 C-N-CA 124.216 1.006 . . . . 0.0 110.197 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.264 1.5 pt? -91.17 -43.94 9.55 Favored 'General case' 1 C--N 1.436 4.353 0 C-N-CA 124.946 1.298 . . . . 0.0 112.347 169.848 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -131.19 132.01 44.41 Favored 'General case' 2 C--N 1.447 4.838 0 O-C-N 125.161 1.538 . . . . 0.0 113.918 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.291 21.6 t -113.73 136.83 48.93 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.108 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.64 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.311 38.4 m-80 74.59 -80.88 0.03 OUTLIER 'General case' 2 N--CA 1.591 6.607 0 C-N-CA 128.737 2.815 . . . . 0.0 111.506 -177.846 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -157.75 8.78 0.16 Allowed 'General case' 1 CA--C 1.639 4.387 1 C-N-CA 134.632 5.173 . . . . 0.0 106.747 170.426 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.371 25.2 m -102.52 156.04 4.97 Favored 'Isoleucine or valine' 1 C--N 1.465 5.588 0 C-N-CA 127.713 2.405 . . . . 0.0 115.339 -167.361 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -85.77 103.33 14.44 Favored 'General case' 0 C--N 1.412 3.292 0 C-N-CA 127.86 2.464 . . . . 0.0 111.469 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.452 29.5 m -97.15 -12.7 8.3 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.046 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 174.561 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.284 16.2 ptm180 -44.3 -27.65 0.45 Allowed 'General case' 2 N--CA 1.585 6.279 0 C-N-CA 129.105 2.962 . . . . 0.0 117.841 179.44 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -149.27 76.41 1.32 Allowed 'General case' 1 C--N 1.439 4.493 0 C-N-CA 129.867 3.267 . . . . 0.0 108.865 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.288 19.4 m -141.06 159.94 23.1 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.473 0 C-N-CA 126.758 2.023 . . . . 0.0 110.596 177.598 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 p -76.84 161.7 28.23 Favored 'General case' 1 N--CA 1.56 5.068 0 C-N-CA 126.4 1.88 . . . . 0.0 112.205 166.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -46.87 -56.61 6.03 Favored 'General case' 3 N--CA 1.576 5.846 0 C-N-CA 129.009 2.924 . . . . 0.0 112.785 174.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m -61.79 -34.18 75.43 Favored 'General case' 2 C--N 1.456 5.206 0 C-N-CA 126.536 1.934 . . . . 0.0 113.503 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.06 -22.34 63.07 Favored 'General case' 1 C--N 1.457 5.243 0 C-N-CA 128.46 2.704 . . . . 0.0 114.236 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -35.78 14.91 Favored 'General case' 1 C--N 1.463 5.54 0 C-N-CA 126.544 1.937 . . . . 0.0 112.728 174.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.37 -40.41 56.45 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.57 0 C-N-CA 127.231 2.213 . . . . 0.0 111.709 177.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.6 mt-10 -63.19 -20.1 65.11 Favored 'General case' 1 N--CA 1.598 6.958 0 C-N-CA 128.271 2.628 . . . . 0.0 115.381 177.329 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.62 -28.81 56.24 Favored 'General case' 1 CA--C 1.636 4.253 0 C-N-CA 126.279 1.831 . . . . 0.0 112.067 167.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.4 mt -92.97 -32.99 14.33 Favored 'General case' 2 C--N 1.46 5.381 0 C-N-CA 126.812 2.045 . . . . 0.0 116.247 178.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -86.38 -38.49 17.36 Favored 'General case' 1 N--CA 1.546 4.328 0 C-N-CA 127.044 2.138 . . . . 0.0 114.351 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.255 39.1 mt-10 -90.42 -15.59 30.64 Favored 'General case' 2 N--CA 1.583 6.196 0 N-CA-C 119.737 3.236 . . . . 0.0 119.737 -175.871 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.74 -22.45 46.72 Favored 'General case' 3 N--CA 1.596 6.829 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.03 -34.71 5.27 Favored Glycine 1 C--N 1.43 5.751 0 N-CA-C 119.046 2.378 . . . . 0.0 119.046 166.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.2 p -174.79 -34.56 0.01 OUTLIER 'General case' 1 N--CA 1.562 5.147 0 C-N-CA 128.753 2.821 . . . . 0.0 112.933 -173.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.261 46.0 mm -118.57 121.4 66.93 Favored 'Isoleucine or valine' 0 C--N 1.423 3.762 0 C-N-CA 126.337 1.855 . . . . 0.0 109.019 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.341 17.9 m -127.49 121.12 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.577 0 C-N-CA 127.467 2.307 . . . . 0.0 112.768 179.325 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -108.42 137.15 46.86 Favored 'General case' 0 N--CA 1.538 3.932 0 C-N-CA 126.104 1.762 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 pp -125.05 137.42 54.21 Favored 'General case' 0 N--CA 1.522 3.165 0 C-N-CA 127.855 2.462 . . . . 0.0 112.845 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -117.81 111.6 19.28 Favored 'General case' 0 C--O 1.298 3.634 0 C-N-CA 126.492 1.917 . . . . 0.0 110.606 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 33.3 m -106.71 159.44 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.383 0 O-C-N 126.617 2.448 . . . . 0.0 115.298 -174.748 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.364 0.0 OUTLIER -124.28 109.14 13.0 Favored 'General case' 2 N--CA 1.557 4.882 0 C-N-CA 126.255 1.822 . . . . 0.0 113.429 -178.022 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.328 17.1 ptm180 -129.2 114.19 15.99 Favored 'General case' 1 N--CA 1.559 4.982 0 C-N-CA 126.06 1.744 . . . . 0.0 113.452 179.903 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.318 0.0 OUTLIER -81.03 161.31 24.26 Favored 'General case' 2 N--CA 1.551 4.605 0 C-N-CA 125.381 1.473 . . . . 0.0 114.268 -178.461 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -53.42 148.54 16.8 Favored Pre-proline 2 N--CA 1.587 6.415 0 C-N-CA 128.954 2.901 . . . . 0.0 116.186 -178.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.87 133.57 22.71 Favored 'Trans proline' 3 C--N 1.565 11.966 0 C-N-CA 125.137 3.891 . . . . 0.0 119.551 -171.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -70.43 151.67 65.36 Favored 'Trans proline' 3 C--N 1.555 11.43 0 C-N-CA 124.287 3.325 . . . . 0.0 117.043 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.438 4.434 0 C-N-CA 126.697 1.999 . . . . 0.0 113.031 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.45 12.5 m . . . . . 0 N--CA 1.536 3.856 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.269 11.5 p -107.48 2.23 9.91 Favored 'Isoleucine or valine' 1 CA--C 1.669 5.547 0 C-N-CA 128.169 2.588 . . . . 0.0 110.671 174.033 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -132.11 -24.83 2.07 Favored 'General case' 1 C--N 1.453 5.082 0 C-N-CA 126.993 2.117 . . . . 0.0 112.415 -172.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -119.47 155.04 32.81 Favored 'General case' 2 C--N 1.44 4.501 0 C-N-CA 128.971 2.909 . . . . 0.0 111.785 -173.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.335 6.7 ppt_? -107.41 -35.88 6.65 Favored 'General case' 1 N--CA 1.544 4.267 0 C-N-CA 127.549 2.34 . . . . 0.0 114.592 173.699 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.569 9.8 tt 57.84 89.8 0.04 OUTLIER 'Isoleucine or valine' 3 N--CA 1.571 5.625 0 C-N-CA 130.384 3.474 . . . . 0.0 116.003 179.398 . . . . . . . . 3 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 16.0 t -128.36 31.27 5.05 Favored 'General case' 2 CA--C 1.66 5.184 0 C-N-CA 127.149 2.18 . . . . 0.0 110.86 176.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.406 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 66.8 m -91.5 -176.62 4.57 Favored 'General case' 3 N--CA 1.547 4.378 0 C-N-CA 127.534 2.334 . . . . 0.0 115.271 -172.537 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 2 C--N 1.449 4.913 0 C-N-CA 127.221 2.209 . . . . 0.0 107.323 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.59 0 CA-C-O 119.42 -0.656 . . . . 0.0 112.986 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.19 131.39 55.1 Favored 'General case' 0 C--N 1.427 3.951 0 C-N-CA 126.565 1.946 . . . . 0.0 112.657 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.255 14.6 mmt -111.16 139.51 46.48 Favored 'General case' 2 N--CA 1.54 4.056 0 C-N-CA 125.856 1.663 . . . . 0.0 115.269 179.47 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -121.51 164.89 16.47 Favored 'General case' 1 N--CA 1.554 4.744 0 C-N-CA 127.892 2.477 . . . . 0.0 111.388 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.322 26.1 ptt? -78.67 165.12 24.0 Favored 'General case' 3 N--CA 1.55 4.569 0 C-N-CA 127.386 2.274 . . . . 0.0 114.013 177.432 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.379 11.0 pt-20 -119.82 119.82 34.7 Favored 'General case' 1 N--CA 1.548 4.445 0 C-N-CA 125.516 1.526 . . . . 0.0 114.394 -170.213 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -103.24 143.66 32.35 Favored 'General case' 1 N--CA 1.546 4.337 0 C-N-CA 126.547 1.939 . . . . 0.0 112.921 -177.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -127.59 129.3 47.05 Favored 'General case' 1 C--N 1.433 4.237 0 C-N-CA 124.689 1.196 . . . . 0.0 110.964 -177.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.293 11.6 pt-20 -104.42 111.64 24.37 Favored 'General case' 0 N--CA 1.535 3.807 0 C-N-CA 126.248 1.819 . . . . 0.0 112.4 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mt -115.39 139.8 40.02 Favored 'Isoleucine or valine' 2 N--CA 1.546 4.358 0 C-N-CA 124.977 1.311 . . . . 0.0 109.076 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -119.11 124.64 47.37 Favored 'General case' 1 N--CA 1.542 4.167 0 C-N-CA 126.397 1.879 . . . . 0.0 108.714 176.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -119.93 143.21 48.1 Favored 'General case' 0 N--CA 1.52 3.049 0 C-N-CA 127.524 2.329 . . . . 0.0 112.748 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.277 11.5 pt-20 -102.0 128.58 48.36 Favored 'General case' 0 C--N 1.414 3.375 0 C-N-CA 125.708 1.603 . . . . 0.0 110.33 168.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -55.85 109.31 0.55 Allowed 'General case' 1 N--CA 1.558 4.955 0 C-N-CA 128.079 2.552 . . . . 0.0 113.909 -174.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.23 -166.58 11.06 Favored Glycine 2 N--CA 1.545 5.911 0 N-CA-C 118.493 2.157 . . . . 0.0 118.493 -174.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -84.82 -30.52 24.47 Favored 'General case' 1 N--CA 1.563 5.178 0 C-N-CA 127.144 2.177 . . . . 0.0 114.764 -177.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.3 p -101.07 -20.94 15.15 Favored 'General case' 1 C--N 1.435 4.322 0 C-N-CA 126.55 1.94 . . . . 0.0 115.897 -178.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.6 42.99 0.91 Allowed Glycine 1 C--N 1.457 7.285 0 C-N-CA 124.573 1.083 . . . . 0.0 111.687 -175.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.502 2.2 mt 77.69 -31.03 0.16 Allowed 'General case' 2 N--CA 1.559 4.982 0 C-N-CA 131.101 3.761 . . . . 0.0 118.312 176.449 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 35.73 4.67 Favored Glycine 2 C--N 1.414 4.906 0 N-CA-C 117.065 1.586 . . . . 0.0 117.065 174.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -156.5 171.96 19.37 Favored 'General case' 1 C--N 1.444 4.682 0 C-N-CA 127.654 2.382 . . . . 0.0 109.578 175.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 75.3 m -137.63 145.67 43.0 Favored 'General case' 1 C--N 1.441 4.557 0 C-N-CA 125.475 1.51 . . . . 0.0 110.757 168.377 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.528 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.58 2.2 pp -118.52 128.42 75.46 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.12 0 N-CA-C 119.301 3.075 . . . . 0.0 119.301 -175.236 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.516 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -104.24 117.68 34.81 Favored 'General case' 1 C--N 1.441 4.557 0 CA-C-N 112.904 -1.953 . . . . 0.0 110.673 -177.712 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.72 160.88 31.87 Favored Glycine 1 N--CA 1.518 4.122 0 C-N-CA 125.539 1.543 . . . . 0.0 113.644 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.29 135.07 2.07 Favored Glycine 1 C--N 1.411 4.743 0 N-CA-C 119.645 2.618 . . . . 0.0 119.645 -174.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.279 11.8 p -104.15 -36.06 7.82 Favored 'General case' 1 N--CA 1.553 4.718 0 C-N-CA 125.76 1.624 . . . . 0.0 112.883 162.21 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -107.48 -35.75 6.67 Favored 'General case' 1 C--N 1.436 4.362 0 C-N-CA 125.453 1.501 . . . . 0.0 113.164 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.44 120.13 55.54 Favored Pre-proline 2 C--N 1.443 4.655 0 C-N-CA 127.055 2.142 . . . . 0.0 113.79 -178.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.478 ' HB3' ' H ' ' A' ' 34' ' ' ASP . 4.4 Cg_exo -72.22 161.3 44.91 Favored 'Trans proline' 3 C--N 1.547 11.009 0 C-N-CA 123.762 2.974 . . . . 0.0 117.688 177.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -112.4 -59.14 2.04 Favored 'General case' 1 CA--C 1.631 4.059 0 C-N-CA 127.871 2.468 . . . . 0.0 111.299 171.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.293 2.5 tp -124.88 14.01 4.55 Favored 'Isoleucine or valine' 1 CA--C 1.663 5.316 0 C-N-CA 127.717 2.407 . . . . 0.0 112.516 -166.416 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.97 60.06 0.76 Allowed Glycine 1 C--N 1.404 4.32 0 C-N-CA 127.279 2.371 . . . . 0.0 114.107 -175.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.478 ' H ' ' HB3' ' A' ' 30' ' ' PRO 0.457 7.7 m-20 69.74 76.26 0.22 Allowed 'General case' 2 N--CA 1.56 5.066 0 C-N-CA 130.208 3.403 . . . . 0.0 115.438 -179.03 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -100.16 124.72 42.26 Favored Pre-proline 1 CA--C 1.678 5.888 0 CA-C-N 112.392 -2.185 . . . . 0.0 111.865 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.66 -32.41 4.69 Favored 'Trans proline' 3 C--N 1.55 11.144 0 C-N-CA 124.034 3.156 . . . . 0.0 118.523 178.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p -92.78 152.18 19.61 Favored 'General case' 2 N--CA 1.553 4.689 0 C-N-CA 126.898 2.079 . . . . 0.0 114.554 -176.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.291 0.5 OUTLIER -93.66 118.98 40.75 Favored 'Isoleucine or valine' 2 C--N 1.451 5.017 0 C-N-CA 125.551 1.54 . . . . 0.0 109.697 -177.957 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -129.19 150.15 50.69 Favored 'General case' 0 N--CA 1.529 3.503 0 C-N-CA 129.283 3.033 . . . . 0.0 111.463 -170.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -87.36 144.21 9.73 Favored 'Isoleucine or valine' 2 N--CA 1.551 4.604 0 C-N-CA 126.168 1.787 . . . . 0.0 110.101 175.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.372 10.5 p -147.77 -26.14 0.36 Allowed 'General case' 1 N--CA 1.556 4.844 0 C-N-CA 127.453 2.301 . . . . 0.0 114.207 178.857 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.7 tmtt? -121.68 124.16 43.61 Favored 'General case' 1 C--N 1.476 6.082 0 CA-C-N 118.514 0.597 . . . . 0.0 111.371 178.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.638 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.275 42.5 mm -123.38 129.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.412 3.296 0 C-N-CA 127.101 2.16 . . . . 0.0 108.238 173.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.286 3.2 mp -85.67 129.7 53.79 Favored Pre-proline 1 CA--C 1.682 6.039 0 C-N-CA 126.239 1.816 . . . . 0.0 109.892 173.102 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.88 -20.69 72.01 Favored 'Trans proline' 3 C--N 1.537 10.477 0 C-N-CA 124.449 3.433 . . . . 0.0 118.002 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.6 37.67 2.2 Favored Glycine 1 C--N 1.43 5.77 0 CA-C-O 117.889 -1.506 . . . . 0.0 116.581 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.13 -179.01 40.11 Favored Glycine 3 C--N 1.443 6.519 0 C-N-CA 124.923 1.249 . . . . 0.0 116.01 172.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.11 -37.41 28.96 Favored 'General case' 0 N--CA 1.538 3.959 0 C-N-CA 128.732 2.813 . . . . 0.0 115.533 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.4 -23.03 37.86 Favored 'General case' 2 C--N 1.445 4.729 0 C-N-CA 127.368 2.267 . . . . 0.0 115.659 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.79 -42.45 14.18 Favored 'General case' 1 C--N 1.446 4.801 0 C-N-CA 127.359 2.264 . . . . 0.0 113.586 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -90.81 -55.51 3.54 Favored 'General case' 1 C--N 1.449 4.913 0 C-N-CA 127.136 2.174 . . . . 0.0 114.805 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.91 -32.24 16.08 Favored 'General case' 1 C--N 1.459 5.336 0 N-CA-C 117.363 2.357 . . . . 0.0 117.363 -174.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.46 -48.84 4.12 Favored Glycine 2 C--N 1.443 6.478 0 N-CA-C 117.642 1.817 . . . . 0.0 117.642 -174.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.538 79.0 mtp180 88.05 55.92 0.01 OUTLIER 'General case' 2 N--CA 1.579 5.997 0 C-N-CA 130.52 3.528 . . . . 0.0 116.043 -178.546 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tp -110.78 132.8 53.89 Favored 'General case' 0 C--N 1.421 3.675 0 C-N-CA 127.978 2.511 . . . . 0.0 111.643 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . 0.267 40.8 ptt180 -112.21 164.62 12.99 Favored 'General case' 0 CA--C 1.613 3.391 0 C-N-CA 127.487 2.315 . . . . 0.0 112.49 172.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG13 HG12 ' A' ' 43' ' ' ILE 0.276 3.2 m -57.02 -30.5 34.19 Favored 'Isoleucine or valine' 1 N--CA 1.62 8.034 0 C-N-CA 127.208 2.203 . . . . 0.0 114.771 168.098 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -90.85 -0.91 57.85 Favored 'General case' 1 CA--C 1.664 5.338 0 C-N-CA 129.231 3.012 . . . . 0.0 111.669 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.279 1.5 m-20 -77.14 -39.12 50.4 Favored 'General case' 2 C--N 1.51 7.572 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 175.277 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t 45.63 117.44 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.752 0 C-N-CA 129.362 3.065 . . . . 0.0 115.486 177.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.459 HG21 HG23 ' A' ' 64' ' ' VAL . 4.2 mt -85.57 128.29 39.31 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.175 0 C-N-CA 124.735 1.214 . . . . 0.0 110.488 -175.476 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.262 1.3 pt? -94.33 -43.03 8.6 Favored 'General case' 0 C--N 1.425 3.854 0 O-C-N 125.091 1.494 . . . . 0.0 112.913 169.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.44 120.37 22.92 Favored 'General case' 1 C--N 1.447 4.823 0 O-C-N 124.925 1.391 . . . . 0.0 112.97 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.537 ' O ' HG22 ' A' ' 67' ' ' VAL 0.369 7.5 p -120.58 129.0 76.08 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.384 0 O-C-N 123.724 0.64 . . . . 0.0 112.615 -176.21 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 t30 74.55 3.91 4.34 Favored 'General case' 3 N--CA 1.627 8.392 0 C-N-CA 128.903 2.881 . . . . 0.0 110.981 -170.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.325 21.2 tt0 82.13 19.67 0.32 Allowed 'General case' 3 CA--C 1.674 5.713 1 C-N-CA 131.891 4.076 . . . . 0.0 109.954 -162.57 . . . . . . . . 4 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 64' ' ' VAL 0.357 5.4 m -94.92 154.05 3.42 Favored 'Isoleucine or valine' 1 C--N 1.477 6.132 0 C-N-CA 126.266 1.827 . . . . 0.0 112.921 -178.523 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.435 4.4 p-10 -83.13 93.09 7.56 Favored 'General case' 0 C--N 1.406 3.061 0 O-C-N 126.152 2.157 . . . . 0.0 114.54 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.468 27.7 m -94.85 -3.49 10.61 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.065 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 178.468 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -47.85 -27.66 2.2 Favored 'General case' 2 N--CA 1.595 6.807 0 C-N-CA 128.47 2.708 . . . . 0.0 116.341 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -150.87 81.7 1.33 Allowed 'General case' 1 C--N 1.452 5.05 0 C-N-CA 130.149 3.38 . . . . 0.0 109.305 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.578 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.271 22.1 m -141.94 169.03 14.22 Favored 'Isoleucine or valine' 1 N--CA 1.57 5.533 0 C-N-CA 126.316 1.846 . . . . 0.0 109.588 175.337 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 p -81.69 164.53 21.72 Favored 'General case' 1 N--CA 1.564 5.228 0 C-N-CA 127.957 2.503 . . . . 0.0 110.115 167.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.267 56.6 p-80 -53.02 -50.33 64.46 Favored 'General case' 3 N--CA 1.601 7.083 0 C-N-CA 125.102 1.361 . . . . 0.0 113.325 177.763 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.9 t -60.3 -31.3 70.14 Favored 'General case' 1 C--N 1.444 4.685 0 C-N-CA 127.639 2.375 . . . . 0.0 113.31 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.92 -20.05 50.29 Favored 'General case' 1 C--N 1.479 6.204 0 C-N-CA 126.885 2.074 . . . . 0.0 112.898 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.41 -33.41 19.1 Favored 'General case' 1 C--N 1.466 5.672 0 C-N-CA 126.71 2.004 . . . . 0.0 112.508 170.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.12 -39.28 73.82 Favored 'Isoleucine or valine' 3 N--CA 1.599 7.018 0 C-N-CA 127.725 2.41 . . . . 0.0 111.483 175.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.13 -13.77 50.35 Favored 'General case' 1 N--CA 1.592 6.67 0 C-N-CA 129.957 3.303 . . . . 0.0 115.347 175.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.99 -29.38 25.08 Favored 'General case' 0 CA--C 1.627 3.914 0 C-N-CA 126.79 2.036 . . . . 0.0 112.336 165.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.481 ' HA ' HG11 ' A' ' 88' ' ' VAL . 2.1 mt -92.37 -32.8 14.83 Favored 'General case' 2 C--N 1.462 5.48 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -90.35 -35.91 14.95 Favored 'General case' 1 N--CA 1.547 4.383 0 C-N-CA 126.958 2.103 . . . . 0.0 113.998 -174.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -78.88 -26.06 43.89 Favored 'General case' 2 CA--C 1.636 4.262 0 C-N-CA 128.414 2.685 . . . . 0.0 116.73 -178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.07 -23.21 64.93 Favored 'General case' 2 C--N 1.464 5.546 0 CA-C-N 119.491 1.041 . . . . 0.0 113.747 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.23 -34.69 3.03 Favored Glycine 1 C--N 1.426 5.551 0 N-CA-C 121.747 3.459 . . . . 0.0 121.747 168.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.6 t -153.93 -34.39 0.11 Allowed 'General case' 0 N--CA 1.532 3.642 0 C-N-CA 127.044 2.138 . . . . 0.0 111.996 -169.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.295 39.1 mm -128.99 110.0 19.94 Favored 'Isoleucine or valine' 2 C--N 1.442 4.608 0 C-N-CA 125.008 1.323 . . . . 0.0 109.555 -175.302 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.274 0.0 OUTLIER -119.98 126.21 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.47 0 O-C-N 125.747 1.904 . . . . 0.0 113.569 -179.402 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.368 38.2 ptt180 -113.88 106.37 14.37 Favored 'General case' 1 N--CA 1.561 5.105 0 C-N-CA 126.143 1.777 . . . . 0.0 114.91 -176.587 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.8 140.54 34.94 Favored 'General case' 0 N--CA 1.533 3.687 0 C-N-CA 127.103 2.161 . . . . 0.0 114.389 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.87 111.16 17.19 Favored 'General case' 0 C--O 1.298 3.651 0 C-N-CA 126.587 1.955 . . . . 0.0 111.049 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 33.5 m -106.51 161.23 5.77 Favored 'Isoleucine or valine' 2 N--CA 1.57 5.535 0 O-C-N 126.659 2.474 . . . . 0.0 115.577 -175.038 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.277 19.0 ptp -120.78 122.06 39.53 Favored 'General case' 1 N--CA 1.57 5.556 0 C-N-CA 127.525 2.33 . . . . 0.0 114.087 -176.095 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -124.09 144.57 49.79 Favored 'General case' 0 N--CA 1.538 3.945 0 C-N-CA 127.659 2.384 . . . . 0.0 110.651 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -84.76 142.22 29.97 Favored 'General case' 1 N--CA 1.549 4.524 0 C-N-CA 127.07 2.148 . . . . 0.0 114.732 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.29 51.9 pttt -56.11 128.77 72.54 Favored Pre-proline 2 CA--C 1.674 5.743 0 C-N-CA 128.973 2.909 . . . . 0.0 117.098 -178.915 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.61 150.52 69.23 Favored 'Trans proline' 3 C--N 1.55 11.181 0 C-N-CA 124.044 3.162 . . . . 0.0 117.041 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -68.48 139.44 45.02 Favored 'Trans proline' 3 C--N 1.554 11.377 0 C-N-CA 124.008 3.139 . . . . 0.0 116.745 177.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.432 4.178 0 C-N-CA 126.551 1.94 . . . . 0.0 112.861 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.473 15.8 m . . . . . 0 N--CA 1.531 3.607 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.478 7.8 p -138.58 89.96 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.955 0 CA-C-N 112.423 -2.171 . . . . 0.0 109.732 167.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -91.94 41.73 1.08 Allowed 'General case' 2 N--CA 1.559 4.99 0 C-N-CA 128.205 2.602 . . . . 0.0 113.08 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -89.48 138.42 31.47 Favored 'General case' 1 C--N 1.43 4.109 0 C-N-CA 129.07 2.948 . . . . 0.0 113.905 -170.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.331 17.1 ptm180 -114.17 -37.47 4.41 Favored 'General case' 0 N--CA 1.532 3.644 0 C-N-CA 127.541 2.336 . . . . 0.0 111.608 167.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 1.598 ' CA ' ' CB ' ' B' ' 6' ' ' ILE 0.705 6.6 tp 59.7 -58.26 0.14 Allowed 'Isoleucine or valine' 2 N--CA 1.572 5.665 0 C-N-CA 130.771 3.628 . . . . 0.0 119.167 174.177 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.291 67.6 m -40.25 82.89 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.705 0 C-N-CA 128.615 2.766 . . . . 0.0 117.5 -172.621 . . . . . . . . 3 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.528 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 69.7 m -132.0 -161.75 1.16 Allowed 'General case' 1 CA--C 1.635 4.243 0 C-N-CA 128.781 2.832 . . . . 0.0 111.284 -174.687 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 C--N 1.445 4.725 0 C-N-CA 126.76 2.024 . . . . 0.0 108.5 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 CA-C-O 119.523 -0.598 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.34 143.87 39.93 Favored 'General case' 1 N--CA 1.539 4.005 0 C-N-CA 126.52 1.928 . . . . 0.0 113.581 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.37 26.5 ptt? -102.42 165.25 11.21 Favored 'General case' 2 CA--C 1.634 4.197 0 C-N-CA 125.989 1.715 . . . . 0.0 113.319 173.768 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -120.2 177.75 4.9 Favored 'General case' 1 N--CA 1.552 4.629 0 C-N-CA 129.16 2.984 . . . . 0.0 111.107 -174.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.346 26.2 ptt? -71.79 157.8 37.25 Favored 'General case' 3 C--N 1.449 4.921 0 C-N-CA 126.906 2.082 . . . . 0.0 114.87 179.823 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.372 10.8 pt-20 -116.12 120.17 38.18 Favored 'General case' 1 N--CA 1.546 4.37 0 C-N-CA 126.171 1.788 . . . . 0.0 114.562 -169.277 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -104.03 141.24 36.54 Favored 'General case' 1 N--CA 1.542 4.146 0 C-N-CA 126.186 1.794 . . . . 0.0 112.833 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -126.79 127.35 44.89 Favored 'General case' 1 C--N 1.428 4.021 0 O-C-N 124.617 1.198 . . . . 0.0 111.353 -176.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.304 11.4 pt-20 -103.62 109.94 21.81 Favored 'General case' 0 C--N 1.42 3.654 0 C-N-CA 126.33 1.852 . . . . 0.0 112.514 174.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 mt -112.36 138.66 40.56 Favored 'Isoleucine or valine' 2 N--CA 1.551 4.602 0 C-N-CA 125.116 1.366 . . . . 0.0 109.424 -178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -119.53 123.68 44.57 Favored 'General case' 1 N--CA 1.54 4.041 0 C-N-CA 126.433 1.893 . . . . 0.0 108.811 176.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -113.77 148.99 35.53 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 128.123 2.569 . . . . 0.0 113.783 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -106.29 125.59 51.18 Favored 'General case' 0 N--CA 1.535 3.803 0 C-N-CA 126.96 2.104 . . . . 0.0 106.645 168.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -50.97 114.75 1.26 Allowed 'General case' 1 N--CA 1.566 5.356 0 C-N-CA 129.39 3.076 . . . . 0.0 113.298 -175.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.29 169.03 10.64 Favored Glycine 3 N--CA 1.56 6.924 0 N-CA-C 118.587 2.195 . . . . 0.0 118.587 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.53 -33.29 73.85 Favored 'General case' 1 N--CA 1.58 6.041 0 C-N-CA 127.381 2.272 . . . . 0.0 115.205 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.1 p -103.09 -16.82 15.65 Favored 'General case' 2 CA--C 1.631 4.065 0 C-N-CA 127.381 2.272 . . . . 0.0 113.796 174.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.24 60.61 0.44 Allowed Glycine 1 C--N 1.447 6.733 0 C-N-CA 126.29 1.9 . . . . 0.0 111.294 -176.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.482 2.7 mm? 66.34 -67.46 0.15 Allowed 'General case' 2 C--N 1.449 4.931 0 C-N-CA 130.31 3.444 . . . . 0.0 116.466 -174.31 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.23 -70.94 0.3 Allowed Glycine 1 C--N 1.429 5.723 0 C-N-CA 125.52 1.533 . . . . 0.0 111.434 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -58.96 167.01 1.76 Allowed 'General case' 1 N--CA 1.566 5.328 0 C-N-CA 131.7 4.0 . . . . 0.0 112.8 -165.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.579 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.3 m -129.94 136.28 49.29 Favored 'General case' 1 C--N 1.435 4.322 0 CA-C-N 119.312 0.96 . . . . 0.0 112.547 175.002 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.641 2.3 pp -116.59 124.72 73.04 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.084 0 N-CA-C 119.648 3.203 . . . . 0.0 119.648 -176.927 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.65 118.4 36.7 Favored 'General case' 1 C--N 1.435 4.325 0 CA-C-N 112.993 -1.912 . . . . 0.0 111.795 -177.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.85 163.1 28.6 Favored Glycine 0 C--O 1.29 3.648 0 CA-C-N 113.677 -1.601 . . . . 0.0 114.186 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.44 123.93 0.82 Allowed Glycine 1 C--N 1.412 4.762 0 N-CA-C 119.848 2.699 . . . . 0.0 119.848 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 11.8 p -99.9 -31.13 11.64 Favored 'General case' 1 N--CA 1.553 4.701 0 C-N-CA 125.579 1.551 . . . . 0.0 112.241 159.431 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -112.75 -36.08 5.28 Favored 'General case' 1 C--N 1.439 4.485 0 C-N-CA 125.405 1.482 . . . . 0.0 113.338 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -101.53 115.59 64.76 Favored Pre-proline 2 C--N 1.445 4.743 0 C-N-CA 126.785 2.034 . . . . 0.0 114.775 -175.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HB3' ' H ' ' A' ' 34' ' ' ASP . 4.1 Cg_exo -73.75 166.67 29.16 Favored 'Trans proline' 3 C--N 1.546 10.921 0 C-N-CA 124.02 3.147 . . . . 0.0 116.989 174.792 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -125.53 -44.18 1.85 Allowed 'General case' 1 C--N 1.44 4.522 0 C-N-CA 126.891 2.076 . . . . 0.0 111.648 171.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.294 4.0 tp -113.92 -27.97 2.55 Favored 'Isoleucine or valine' 1 CA--C 1.653 4.927 0 C-N-CA 127.426 2.291 . . . . 0.0 112.902 -170.743 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.39 68.4 0.05 OUTLIER Glycine 0 C--N 1.391 3.61 0 C-N-CA 127.967 2.698 . . . . 0.0 112.633 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.511 ' H ' ' HB3' ' A' ' 30' ' ' PRO 0.467 8.5 m-20 65.34 76.77 0.32 Allowed 'General case' 2 N--CA 1.563 5.175 0 C-N-CA 130.563 3.545 . . . . 0.0 115.335 -177.805 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -100.11 121.8 52.6 Favored Pre-proline 1 CA--C 1.68 5.956 0 C-N-CA 126.914 2.086 . . . . 0.0 111.931 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.97 -32.97 2.99 Favored 'Trans proline' 3 C--N 1.552 11.253 0 C-N-CA 123.971 3.114 . . . . 0.0 118.732 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -94.23 153.81 17.87 Favored 'General case' 2 C--N 1.443 4.657 0 C-N-CA 126.814 2.046 . . . . 0.0 112.785 -175.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.302 0.7 OUTLIER -92.85 116.07 33.12 Favored 'Isoleucine or valine' 3 C--N 1.451 4.985 0 C-N-CA 125.498 1.519 . . . . 0.0 109.799 -178.474 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -122.38 147.94 45.67 Favored 'General case' 0 N--CA 1.538 3.955 0 C-N-CA 129.742 3.217 . . . . 0.0 111.846 -169.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.49 142.52 12.8 Favored 'Isoleucine or valine' 2 C--N 1.45 4.951 0 C-N-CA 125.517 1.527 . . . . 0.0 109.819 174.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 17.8 p -144.32 -27.15 0.51 Allowed 'General case' 1 N--CA 1.557 4.893 0 C-N-CA 127.182 2.193 . . . . 0.0 113.206 -178.867 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.579 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.292 48.4 tptt -122.68 123.7 41.72 Favored 'General case' 1 C--N 1.468 5.749 0 C-N-CA 123.968 0.907 . . . . 0.0 113.155 178.752 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.256 49.7 mm -128.66 129.56 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.669 0 C-N-CA 127.222 2.209 . . . . 0.0 108.154 172.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.533 ' CA ' ' CB ' ' A' ' 44' ' ' ILE 0.264 1.4 mp -84.96 131.99 47.19 Favored Pre-proline 2 CA--C 1.682 6.044 0 C-N-CA 128.752 2.821 . . . . 0.0 110.349 172.127 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.29 -19.46 62.06 Favored 'Trans proline' 3 C--N 1.541 10.672 0 C-N-CA 123.962 3.108 . . . . 0.0 117.32 176.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.84 36.51 2.33 Favored Glycine 1 C--N 1.431 5.81 0 CA-C-O 117.83 -1.539 . . . . 0.0 116.396 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.51 -178.56 42.57 Favored Glycine 3 C--N 1.447 6.729 0 C-N-CA 124.94 1.257 . . . . 0.0 115.813 173.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.0 -38.48 27.44 Favored 'General case' 1 N--CA 1.542 4.151 0 C-N-CA 128.292 2.637 . . . . 0.0 115.478 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.33 -21.96 38.84 Favored 'General case' 2 C--N 1.446 4.802 0 C-N-CA 126.554 1.941 . . . . 0.0 115.879 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.46 -43.24 12.94 Favored 'General case' 1 C--N 1.445 4.728 0 C-N-CA 127.313 2.245 . . . . 0.0 113.65 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -90.69 -54.6 3.91 Favored 'General case' 2 C--N 1.45 4.946 0 C-N-CA 127.169 2.188 . . . . 0.0 114.852 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.65 -31.24 16.71 Favored 'General case' 1 C--N 1.458 5.313 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -174.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.56 -52.61 2.79 Favored Glycine 2 C--N 1.444 6.534 0 N-CA-C 117.069 1.588 . . . . 0.0 117.069 -175.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.577 63.7 mtp180 91.53 55.91 0.0 OUTLIER 'General case' 2 N--CA 1.574 5.755 0 C-N-CA 130.866 3.666 . . . . 0.0 116.505 -178.832 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.76 131.89 54.66 Favored 'General case' 0 C--N 1.418 3.545 0 C-N-CA 128.06 2.544 . . . . 0.0 111.169 170.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.2 152.82 26.64 Favored 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 127.347 2.259 . . . . 0.0 110.581 171.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 p -55.4 -28.79 22.8 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.206 0 C-N-CA 128.938 2.895 . . . . 0.0 116.06 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.291 3.3 p-10 -91.51 8.62 35.6 Favored 'General case' 1 CA--C 1.655 5.007 0 C-N-CA 128.663 2.785 . . . . 0.0 113.829 178.099 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.263 1.6 m-20 -86.18 -31.44 21.76 Favored 'General case' 2 C--N 1.49 6.716 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 -179.22 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.3 m 45.89 119.74 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.735 0 C-N-CA 128.801 2.84 . . . . 0.0 116.451 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.517 HG21 HG13 ' A' ' 64' ' ' VAL 0.252 14.9 mt -84.46 129.78 37.09 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.871 0 C-N-CA 124.869 1.268 . . . . 0.0 110.718 -175.498 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.266 1.6 pt? -95.98 -46.23 6.6 Favored 'General case' 1 C--N 1.431 4.143 0 O-C-N 125.12 1.512 . . . . 0.0 112.327 168.566 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -132.21 136.15 46.82 Favored 'General case' 1 C--N 1.446 4.789 0 O-C-N 124.986 1.429 . . . . 0.0 113.035 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.517 HG13 HG21 ' A' ' 61' ' ' ILE 0.459 1.4 m -121.29 139.45 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.638 0 C-N-CA 124.382 1.073 . . . . 0.0 111.958 172.433 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 70.13 -1.4 2.44 Favored 'General case' 2 N--CA 1.594 6.731 0 C-N-CA 128.216 2.607 . . . . 0.0 115.191 177.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.418 46.2 mt-10 89.11 8.2 0.11 Allowed 'General case' 3 N--CA 1.586 6.355 0 C-N-CA 131.135 3.774 . . . . 0.0 112.44 -161.012 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.383 30.1 m -97.24 152.33 4.03 Favored 'Isoleucine or valine' 2 C--N 1.458 5.308 0 C-N-CA 127.993 2.517 . . . . 0.0 113.92 179.08 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.473 4.4 p30 -81.85 97.99 8.29 Favored 'General case' 0 C--N 1.412 3.305 0 C-N-CA 127.415 2.286 . . . . 0.0 115.684 -173.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.373 0.9 OUTLIER -106.61 9.2 9.47 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.138 0 C-N-CA 128.252 2.621 . . . . 0.0 113.197 -178.611 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -65.1 -23.66 67.21 Favored 'General case' 1 N--CA 1.574 5.757 0 C-N-CA 127.318 2.247 . . . . 0.0 113.843 173.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -154.61 84.95 1.11 Allowed 'General case' 1 C--N 1.458 5.302 0 C-N-CA 129.348 3.059 . . . . 0.0 110.052 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.537 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.267 32.6 m -143.68 171.4 8.23 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.212 0 C-N-CA 126.54 1.936 . . . . 0.0 109.236 174.413 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -82.3 162.78 22.15 Favored 'General case' 1 N--CA 1.563 5.224 0 C-N-CA 127.755 2.422 . . . . 0.0 109.634 167.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.281 50.7 p-80 -51.64 -50.67 59.85 Favored 'General case' 4 N--CA 1.605 7.306 0 C-N-CA 124.637 1.175 . . . . 0.0 113.489 178.103 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.1 m -59.13 -31.26 68.79 Favored 'General case' 2 C--N 1.442 4.603 0 C-N-CA 127.814 2.446 . . . . 0.0 114.209 177.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.12 -21.86 49.74 Favored 'General case' 1 C--N 1.475 6.044 0 C-N-CA 126.824 2.049 . . . . 0.0 113.178 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.61 -29.71 17.62 Favored 'General case' 1 C--N 1.469 5.778 0 C-N-CA 126.037 1.735 . . . . 0.0 113.32 171.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.5 t -73.09 -40.19 58.1 Favored 'Isoleucine or valine' 3 N--CA 1.597 6.903 0 C-N-CA 126.877 2.071 . . . . 0.0 111.18 174.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.34 -17.6 64.82 Favored 'General case' 1 N--CA 1.596 6.84 0 C-N-CA 128.544 2.737 . . . . 0.0 115.479 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.29 -28.81 47.62 Favored 'General case' 0 CA--C 1.62 3.655 0 C-N-CA 126.845 2.058 . . . . 0.0 111.207 166.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' A' ' 88' ' ' VAL 0.346 15.8 mt -92.84 -31.37 15.02 Favored 'General case' 1 C--N 1.471 5.881 0 N-CA-C 117.962 2.578 . . . . 0.0 117.962 -179.739 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -87.7 -34.54 18.36 Favored 'General case' 1 N--CA 1.541 4.123 0 C-N-CA 127.642 2.377 . . . . 0.0 114.037 175.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.292 39.4 mt-10 -86.41 -24.35 25.76 Favored 'General case' 2 N--CA 1.594 6.741 0 N-CA-C 119.965 3.321 . . . . 0.0 119.965 -177.934 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 88' ' ' VAL . . . -57.7 -23.32 51.1 Favored 'General case' 3 N--CA 1.594 6.725 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.31 -34.81 5.47 Favored Glycine 1 C--N 1.423 5.382 0 N-CA-C 119.804 2.681 . . . . 0.0 119.804 166.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.4 m -169.8 -34.86 0.02 OUTLIER 'General case' 1 N--CA 1.557 4.908 0 C-N-CA 128.625 2.77 . . . . 0.0 112.439 -171.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.286 24.1 mm -121.52 108.65 22.8 Favored 'Isoleucine or valine' 1 C--N 1.441 4.578 0 C-N-CA 125.86 1.664 . . . . 0.0 108.865 -174.159 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 81' ' ' LEU 0.315 0.3 OUTLIER -118.93 119.68 61.69 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.561 0 CA-C-N 112.32 -2.218 . . . . 0.0 113.369 -176.46 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.415 34.2 ptt180 -107.96 131.0 55.01 Favored 'General case' 1 N--CA 1.554 4.774 0 C-N-CA 126.524 1.93 . . . . 0.0 114.822 -178.629 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -125.88 141.53 51.94 Favored 'General case' 0 N--CA 1.535 3.803 0 C-N-CA 128.464 2.706 . . . . 0.0 113.731 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -121.98 112.08 17.85 Favored 'General case' 1 C--O 1.315 4.544 0 C-N-CA 126.982 2.113 . . . . 0.0 110.818 177.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 30.1 m -106.59 159.85 6.27 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.382 0 O-C-N 126.818 2.574 . . . . 0.0 114.765 -176.407 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.292 25.7 ptt? -126.17 115.35 19.64 Favored 'General case' 1 N--CA 1.568 5.433 0 C-N-CA 127.734 2.413 . . . . 0.0 114.007 -176.467 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.334 16.7 ptm180 -125.9 125.38 42.7 Favored 'General case' 1 N--CA 1.546 4.337 0 C-N-CA 126.923 2.089 . . . . 0.0 112.271 178.411 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -71.36 150.89 44.62 Favored 'General case' 1 N--CA 1.56 5.04 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 -175.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -61.51 139.27 95.03 Favored Pre-proline 2 CA--C 1.675 5.77 0 C-N-CA 129.722 3.209 . . . . 0.0 115.979 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.94 -41.7 66.03 Favored 'Trans proline' 3 C--N 1.553 11.298 0 C-N-CA 124.435 3.424 . . . . 0.0 119.357 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -68.12 140.27 48.98 Favored 'Trans proline' 3 C--N 1.564 11.904 0 C-N-CA 123.614 2.876 . . . . 0.0 116.934 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.433 4.201 0 C-N-CA 126.643 1.977 . . . . 0.0 112.875 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.495 12.7 m . . . . . 0 N--CA 1.526 3.351 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.27 4.7 m -110.87 -6.27 11.39 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.314 0 C-N-CA 128.21 2.604 . . . . 0.0 112.309 174.827 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p -142.13 12.9 2.02 Favored 'General case' 2 N--CA 1.562 5.157 0 C-N-CA 127.014 2.126 . . . . 0.0 114.865 -169.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -80.28 134.32 36.07 Favored 'General case' 1 C--N 1.44 4.51 0 C-N-CA 127.46 2.304 . . . . 0.0 115.171 -171.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.56 80.03 1.78 Allowed 'General case' 0 C--O 1.297 3.568 0 C-N-CA 128.53 2.732 . . . . 0.0 106.86 163.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.59 1.4 tt -100.83 72.22 0.44 Allowed 'Isoleucine or valine' 2 C--N 1.452 5.041 0 CA-C-O 122.893 1.33 . . . . 0.0 113.892 -179.517 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 17.3 t -107.37 29.94 6.69 Favored 'General case' 2 CA--C 1.662 5.288 0 CA-C-N 111.619 -2.537 . . . . 0.0 110.801 173.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.2 m -98.63 171.64 8.0 Favored 'General case' 1 C--N 1.429 4.037 0 C-N-CA 128.092 2.557 . . . . 0.0 114.911 -171.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 2 N--CA 1.546 4.335 0 C-N-CA 128.077 2.551 . . . . 0.0 104.787 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.547 0 CA-C-O 119.356 -0.691 . . . . 0.0 112.909 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.5 135.19 50.9 Favored 'General case' 0 C--N 1.424 3.82 0 C-N-CA 126.664 1.986 . . . . 0.0 112.908 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -103.39 136.57 42.9 Favored 'General case' 2 N--CA 1.545 4.295 0 C-N-CA 126.137 1.775 . . . . 0.0 113.895 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.381 10.9 pt-20 -114.06 154.83 27.04 Favored 'General case' 0 N--CA 1.537 3.878 0 C-N-CA 126.78 2.032 . . . . 0.0 115.684 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.314 22.3 ptp -74.79 166.42 23.64 Favored 'General case' 2 N--CA 1.551 4.614 0 C-N-CA 127.832 2.453 . . . . 0.0 115.553 -177.679 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.319 10.1 pt-20 -119.86 123.45 43.65 Favored 'General case' 1 N--CA 1.544 4.241 0 C-N-CA 127.425 2.29 . . . . 0.0 112.868 -175.223 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -103.4 143.49 32.63 Favored 'General case' 1 N--CA 1.546 4.343 0 C-N-CA 125.902 1.681 . . . . 0.0 113.656 -176.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -122.74 134.52 54.44 Favored 'General case' 1 N--CA 1.551 4.586 0 C-N-CA 126.041 1.736 . . . . 0.0 113.33 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.309 12.3 pt-20 -110.42 109.72 20.21 Favored 'General case' 0 C--N 1.425 3.869 0 C-N-CA 125.829 1.652 . . . . 0.0 112.131 173.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -112.07 138.22 41.79 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.828 0 C-N-CA 125.165 1.386 . . . . 0.0 109.59 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.445 HG23 ' HB3' ' A' ' 89' ' ' ARG . 2.0 m -116.76 118.88 33.75 Favored 'General case' 0 C--N 1.418 3.577 0 C-N-CA 125.838 1.655 . . . . 0.0 108.434 174.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -108.25 145.93 33.61 Favored 'General case' 0 N--CA 1.521 3.106 0 C-N-CA 127.608 2.363 . . . . 0.0 112.896 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -102.94 125.0 49.52 Favored 'General case' 0 C--N 1.421 3.677 0 C-N-CA 125.769 1.628 . . . . 0.0 107.365 168.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.16 114.64 2.72 Favored 'General case' 1 N--CA 1.561 5.118 0 C-N-CA 128.119 2.568 . . . . 0.0 113.933 -170.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' H ' HD13 ' A' ' 19' ' ' LEU . . . -69.17 156.9 53.57 Favored Glycine 2 N--CA 1.549 6.221 0 CA-C-N 113.009 -1.905 . . . . 0.0 117.585 -177.667 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.28 30.3 p30 -66.18 -31.92 73.04 Favored 'General case' 1 N--CA 1.576 5.873 0 C-N-CA 127.561 2.344 . . . . 0.0 116.249 -179.223 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.2 m -96.21 -19.55 19.24 Favored 'General case' 0 N--CA 1.537 3.913 0 C-N-CA 127.475 2.31 . . . . 0.0 113.324 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.81 60.5 0.43 Allowed Glycine 1 C--N 1.453 7.073 0 C-N-CA 125.992 1.758 . . . . 0.0 111.532 -178.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.408 HD13 ' H ' ' A' ' 15' ' ' GLY 0.528 2.8 mm? 66.82 -89.64 0.03 OUTLIER 'General case' 1 C--N 1.447 4.828 0 C-N-CA 129.999 3.32 . . . . 0.0 115.591 -173.44 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.442 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . 151.81 39.76 0.03 OUTLIER Glycine 1 C--N 1.401 4.173 0 C-N-CA 125.633 1.587 . . . . 0.0 114.224 -178.524 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -154.43 168.56 26.28 Favored 'General case' 2 C--N 1.438 4.449 0 C-N-CA 129.124 2.97 . . . . 0.0 108.533 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.558 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.1 m -135.17 146.28 48.58 Favored 'General case' 2 C--N 1.444 4.686 0 C-N-CA 123.993 0.917 . . . . 0.0 111.251 166.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.487 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.557 2.2 pp -118.84 123.58 71.74 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.945 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -175.223 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -102.71 116.69 33.07 Favored 'General case' 1 C--N 1.438 4.453 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.28 -179.71 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.78 154.9 24.97 Favored Glycine 1 N--CA 1.518 4.161 0 C-N-CA 125.718 1.628 . . . . 0.0 113.284 -173.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.02 149.93 7.53 Favored Glycine 2 N--CA 1.521 4.331 0 N-CA-C 118.263 2.065 . . . . 0.0 118.263 -170.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.251 8.5 p -104.74 -44.66 4.8 Favored 'General case' 1 N--CA 1.561 5.093 0 C-N-CA 126.003 1.721 . . . . 0.0 113.424 165.991 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -99.47 -31.99 11.36 Favored 'General case' 2 C--N 1.432 4.16 0 C-N-CA 126.556 1.943 . . . . 0.0 113.145 177.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -100.28 113.98 65.56 Favored Pre-proline 2 C--N 1.447 4.814 0 C-N-CA 127.102 2.161 . . . . 0.0 112.3 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -72.98 162.99 39.57 Favored 'Trans proline' 3 C--N 1.545 10.869 0 C-N-CA 123.841 3.027 . . . . 0.0 117.107 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -108.23 -57.36 2.13 Favored 'General case' 0 C--N 1.423 3.765 0 C-N-CA 126.765 2.026 . . . . 0.0 111.244 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.317 3.6 tp -119.58 7.0 6.56 Favored 'Isoleucine or valine' 1 CA--C 1.671 5.631 0 C-N-CA 126.646 1.979 . . . . 0.0 114.429 -167.55 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.66 -65.34 0.36 Allowed Glycine 0 C--N 1.394 3.797 0 C-N-CA 126.864 2.173 . . . . 0.0 111.694 -175.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -163.49 84.91 0.49 Allowed 'General case' 1 N--CA 1.542 4.164 1 C-N-CA 131.934 4.094 . . . . 0.0 107.52 176.392 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -100.83 116.51 64.02 Favored Pre-proline 2 CA--C 1.675 5.777 0 C-N-CA 125.525 1.53 . . . . 0.0 112.277 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.89 -30.83 3.44 Favored 'Trans proline' 3 C--N 1.549 11.088 0 C-N-CA 123.993 3.129 . . . . 0.0 118.405 177.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.0 p -92.89 153.88 18.54 Favored 'General case' 2 N--CA 1.552 4.654 0 C-N-CA 126.916 2.086 . . . . 0.0 114.502 -176.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.302 0.6 OUTLIER -94.5 111.78 25.99 Favored 'Isoleucine or valine' 3 C--N 1.451 4.991 0 C-N-CA 125.413 1.485 . . . . 0.0 109.594 -177.974 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -119.76 147.0 45.15 Favored 'General case' 1 N--CA 1.54 4.038 0 C-N-CA 129.886 3.274 . . . . 0.0 111.94 -171.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -86.72 138.58 18.79 Favored 'Isoleucine or valine' 2 C--N 1.448 4.852 0 C-N-CA 125.755 1.622 . . . . 0.0 109.886 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -141.72 -33.99 0.49 Allowed 'General case' 0 CA--C 1.624 3.807 0 C-N-CA 127.53 2.332 . . . . 0.0 109.443 -171.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.275 51.3 tptt -121.84 128.09 51.25 Favored 'General case' 1 C--N 1.464 5.561 0 C-N-CA 124.344 1.058 . . . . 0.0 113.163 179.721 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.649 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 46.1 mm -127.87 124.3 62.68 Favored 'Isoleucine or valine' 0 C--N 1.414 3.411 0 C-N-CA 127.425 2.29 . . . . 0.0 108.094 172.27 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.291 2.9 mp -82.39 131.24 56.28 Favored Pre-proline 2 CA--C 1.678 5.893 0 C-N-CA 127.158 2.183 . . . . 0.0 110.562 173.407 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.91 -19.28 63.97 Favored 'Trans proline' 3 C--N 1.539 10.564 0 C-N-CA 124.197 3.265 . . . . 0.0 117.485 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.86 39.16 1.82 Allowed Glycine 1 C--N 1.429 5.731 0 CA-C-O 117.989 -1.451 . . . . 0.0 115.885 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -94.78 -177.69 38.11 Favored Glycine 2 C--N 1.443 6.499 0 C-N-CA 125.34 1.447 . . . . 0.0 116.569 174.752 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -38.07 28.88 Favored 'General case' 1 N--CA 1.54 4.044 0 C-N-CA 128.748 2.819 . . . . 0.0 115.384 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.5 -24.08 36.92 Favored 'General case' 2 N--CA 1.555 4.811 0 C-N-CA 126.774 2.03 . . . . 0.0 116.073 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 -41.68 16.32 Favored 'General case' 1 C--N 1.444 4.692 0 C-N-CA 127.344 2.257 . . . . 0.0 113.468 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -91.08 -56.58 3.11 Favored 'General case' 2 C--N 1.448 4.872 0 C-N-CA 127.241 2.216 . . . . 0.0 115.06 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.76 -32.7 16.02 Favored 'General case' 2 C--N 1.459 5.345 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -173.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.23 -51.08 3.43 Favored Glycine 2 C--N 1.439 6.276 0 N-CA-C 117.627 1.811 . . . . 0.0 117.627 -172.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.556 86.9 mtm180 90.74 52.62 0.0 OUTLIER 'General case' 2 N--CA 1.577 5.908 0 C-N-CA 130.666 3.586 . . . . 0.0 116.232 -178.479 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.14 130.23 55.69 Favored 'General case' 0 C--N 1.419 3.623 0 C-N-CA 127.909 2.484 . . . . 0.0 111.575 171.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -111.33 154.8 24.02 Favored 'General case' 0 N--CA 1.528 3.434 0 C-N-CA 127.673 2.389 . . . . 0.0 110.651 170.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 0.252 4.2 p -56.26 -28.38 25.75 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.002 0 C-N-CA 128.815 2.846 . . . . 0.0 116.302 -179.039 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -91.92 10.77 27.44 Favored 'General case' 1 CA--C 1.673 5.709 0 C-N-CA 128.627 2.771 . . . . 0.0 112.305 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.251 2.1 m-20 -89.22 -33.04 17.14 Favored 'General case' 2 C--N 1.486 6.514 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 179.652 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m 44.37 118.77 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.812 0 C-N-CA 129.401 3.08 . . . . 0.0 116.751 177.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mt -84.28 126.01 40.23 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.176 0 C-N-CA 124.7 1.2 . . . . 0.0 110.192 -175.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.264 1.5 pt? -91.44 -44.19 9.27 Favored 'General case' 1 C--N 1.431 4.115 0 C-N-CA 125.098 1.359 . . . . 0.0 112.027 171.124 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -129.68 125.81 36.86 Favored 'General case' 1 C--N 1.449 4.916 0 O-C-N 125.252 1.595 . . . . 0.0 113.406 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.9 t -112.02 130.06 66.35 Favored 'Isoleucine or valine' 1 N--CA 1.586 6.345 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 71.77 -1.98 2.64 Favored 'General case' 3 N--CA 1.63 8.572 0 C-N-CA 128.577 2.751 . . . . 0.0 114.89 -176.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.395 47.4 mt-10 87.92 8.72 0.16 Allowed 'General case' 3 N--CA 1.583 6.182 0 C-N-CA 130.772 3.629 . . . . 0.0 111.73 -160.571 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.405 24.4 m -95.82 154.94 3.44 Favored 'Isoleucine or valine' 1 C--N 1.465 5.619 0 C-N-CA 127.191 2.196 . . . . 0.0 113.747 179.176 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.433 4.5 p-10 -81.88 98.56 8.58 Favored 'General case' 0 C--N 1.411 3.27 0 C-N-CA 127.177 2.191 . . . . 0.0 115.228 -173.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.423 28.1 m -94.63 -13.97 8.19 Favored 'Isoleucine or valine' 1 N--CA 1.549 4.514 0 CA-C-N 113.084 -1.871 . . . . 0.0 115.246 176.767 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.33 38.8 ptt180 -47.96 -21.89 0.51 Allowed 'General case' 2 N--CA 1.584 6.249 0 N-CA-C 118.383 2.734 . . . . 0.0 118.383 179.791 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -150.95 74.77 1.17 Allowed 'General case' 1 C--N 1.436 4.36 0 C-N-CA 128.644 2.777 . . . . 0.0 107.242 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.293 18.6 m -140.91 160.7 23.47 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.649 0 C-N-CA 127.158 2.183 . . . . 0.0 110.783 177.529 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -77.25 162.71 27.14 Favored 'General case' 1 N--CA 1.561 5.08 0 C-N-CA 126.737 2.015 . . . . 0.0 112.3 166.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -47.25 -57.98 4.6 Favored 'General case' 3 N--CA 1.575 5.814 0 C-N-CA 129.189 2.996 . . . . 0.0 112.676 174.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.1 m -61.0 -34.01 74.14 Favored 'General case' 2 C--N 1.453 5.101 0 C-N-CA 126.576 1.95 . . . . 0.0 113.543 177.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.63 -22.44 62.52 Favored 'General case' 2 C--N 1.456 5.227 0 C-N-CA 128.365 2.666 . . . . 0.0 114.384 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.31 -35.42 15.26 Favored 'General case' 1 C--N 1.463 5.507 0 C-N-CA 126.393 1.877 . . . . 0.0 112.712 174.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.5 t -73.15 -41.95 58.66 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.833 0 C-N-CA 127.298 2.239 . . . . 0.0 111.5 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.15 -29.62 67.56 Favored 'General case' 2 N--CA 1.564 5.243 0 C-N-CA 128.719 2.808 . . . . 0.0 114.722 178.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.61 -28.23 65.76 Favored 'General case' 2 C--N 1.446 4.778 0 C-N-CA 127.252 2.221 . . . . 0.0 112.616 171.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.42 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.8 mt -91.11 -31.91 16.05 Favored 'General case' 2 C--N 1.452 5.05 0 C-N-CA 127.008 2.123 . . . . 0.0 113.6 178.764 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -83.46 -29.05 28.33 Favored 'General case' 0 C--N 1.427 3.942 0 C-N-CA 127.695 2.398 . . . . 0.0 113.832 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.387 10.1 pt-20 -70.36 -44.11 68.79 Favored 'General case' 2 N--CA 1.584 6.235 0 N-CA-C 118.437 2.755 . . . . 0.0 118.437 177.323 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.33 -20.77 66.55 Favored 'General case' 2 C--N 1.45 4.967 0 C-N-CA 125.843 1.657 . . . . 0.0 114.651 -176.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.23 -34.18 0.54 Allowed Glycine 1 C--N 1.425 5.475 0 N-CA-C 122.783 3.873 . . . . 0.0 122.783 169.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 m -143.41 -36.35 0.37 Allowed 'General case' 0 N--CA 1.516 2.831 0 C-N-CA 128.334 2.654 . . . . 0.0 112.703 -168.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.271 31.5 mm -133.38 109.49 13.69 Favored 'Isoleucine or valine' 2 C--N 1.446 4.798 0 C-N-CA 125.491 1.517 . . . . 0.0 109.246 -175.015 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.299 0.0 OUTLIER -118.41 115.72 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.354 0 O-C-N 125.694 1.871 . . . . 0.0 113.297 -179.374 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.445 ' HB3' HG23 ' A' ' 11' ' ' THR 0.393 38.0 ptt180 -107.29 105.13 14.94 Favored 'General case' 1 N--CA 1.562 5.155 0 C-N-CA 126.25 1.82 . . . . 0.0 115.182 -176.236 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.84 143.47 32.41 Favored 'General case' 0 N--CA 1.533 3.694 0 C-N-CA 127.536 2.334 . . . . 0.0 114.224 -176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -121.88 111.83 17.58 Favored 'General case' 0 C--N 1.417 3.523 0 C-N-CA 126.722 2.009 . . . . 0.0 111.153 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.3 m -106.8 159.62 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.475 0 O-C-N 126.326 2.266 . . . . 0.0 115.147 -175.105 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.343 0.0 OUTLIER -126.82 112.2 15.09 Favored 'General case' 2 N--CA 1.554 4.757 0 C-N-CA 127.459 2.303 . . . . 0.0 113.68 -176.23 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.355 15.4 ptm180 -119.38 127.91 53.57 Favored 'General case' 0 N--CA 1.534 3.747 0 C-N-CA 126.379 1.872 . . . . 0.0 112.789 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -71.95 140.23 49.06 Favored 'General case' 1 N--CA 1.554 4.737 0 C-N-CA 127.384 2.274 . . . . 0.0 115.897 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.293 0.6 OUTLIER -54.39 126.8 55.93 Favored Pre-proline 2 CA--C 1.67 5.59 0 C-N-CA 129.972 3.309 . . . . 0.0 116.414 -178.214 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -65.92 138.69 53.79 Favored 'Trans proline' 3 C--N 1.55 11.136 0 C-N-CA 124.187 3.258 . . . . 0.0 118.29 -174.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.95 -32.33 11.33 Favored 'Trans proline' 3 C--N 1.552 11.275 0 C-N-CA 123.956 3.104 . . . . 0.0 117.24 175.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.449 4.904 0 C-N-CA 126.673 1.989 . . . . 0.0 112.769 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.287 6.3 t . . . . . 0 N--CA 1.529 3.505 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.318 6.3 m -65.57 -26.41 39.05 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.678 0 C-N-CA 129.729 3.212 . . . . 0.0 118.094 -175.007 . . . . . . . . 3 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 34.3 p -129.38 4.65 5.17 Favored 'General case' 2 N--CA 1.566 5.353 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.19 134.7 35.32 Favored 'General case' 1 C--N 1.431 4.139 0 C-N-CA 127.402 2.281 . . . . 0.0 115.081 -171.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -130.45 92.22 3.23 Favored 'General case' 0 C--N 1.41 3.22 0 C-N-CA 128.274 2.63 . . . . 0.0 107.42 166.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' A' ' 24' ' ' ALA 0.506 9.5 tp -107.62 42.97 0.21 Allowed 'Isoleucine or valine' 2 CA--C 1.637 4.301 0 CA-C-N 114.32 -1.309 . . . . 0.0 114.102 -177.86 . . . . . . . . 4 3 . 1 . 017 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 70.5 m -109.32 73.9 0.87 Allowed 'General case' 1 N--CA 1.542 4.17 0 C-N-CA 127.08 2.152 . . . . 0.0 110.103 171.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.487 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 68.5 m -136.98 -174.67 3.8 Favored 'General case' 2 N--CA 1.552 4.649 0 C-N-CA 127.334 2.254 . . . . 0.0 112.998 -173.196 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 C--N 1.451 5.001 0 C-N-CA 126.871 2.068 . . . . 0.0 107.302 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.461 0 CA-C-O 119.515 -0.603 . . . . 0.0 112.847 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.73 132.92 53.48 Favored 'General case' 0 C--N 1.425 3.874 0 C-N-CA 126.633 1.973 . . . . 0.0 112.689 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 46.1 mtt -105.35 123.44 47.87 Favored 'General case' 2 N--CA 1.546 4.35 0 C-N-CA 126.039 1.736 . . . . 0.0 114.295 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.305 9.7 pt-20 -119.53 157.21 28.81 Favored 'General case' 0 N--CA 1.536 3.858 0 C-N-CA 128.094 2.558 . . . . 0.0 114.076 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.359 25.0 ptt? -71.89 154.55 41.17 Favored 'General case' 2 N--CA 1.556 4.856 0 C-N-CA 127.03 2.132 . . . . 0.0 114.889 -179.839 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' HG3' ' HG3' ' A' ' 94' ' ' ARG 0.391 10.4 pt-20 -115.06 119.81 37.73 Favored 'General case' 1 N--CA 1.542 4.156 0 C-N-CA 125.799 1.64 . . . . 0.0 114.843 -168.141 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -108.52 145.61 34.49 Favored 'General case' 0 N--CA 1.538 3.964 0 C-N-CA 126.439 1.895 . . . . 0.0 113.225 -177.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -124.52 130.9 53.32 Favored 'General case' 1 N--CA 1.543 4.203 0 C-N-CA 125.848 1.659 . . . . 0.0 113.182 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.301 11.8 pt-20 -106.46 109.24 21.11 Favored 'General case' 0 C--N 1.423 3.799 0 C-N-CA 125.765 1.626 . . . . 0.0 111.952 172.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 6.9 mt -109.74 139.28 33.55 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.813 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -178.925 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.254 0.2 OUTLIER -110.72 120.15 41.47 Favored 'General case' 0 N--CA 1.533 3.702 0 C-N-CA 126.455 1.902 . . . . 0.0 112.456 171.5 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 mt -117.69 144.81 44.9 Favored 'General case' 0 C--N 1.402 2.868 0 C-N-CA 127.076 2.15 . . . . 0.0 112.793 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -97.44 124.92 41.8 Favored 'General case' 1 N--CA 1.543 4.18 0 C-N-CA 126.352 1.861 . . . . 0.0 108.09 172.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -56.86 108.0 0.46 Allowed 'General case' 2 N--CA 1.56 5.065 0 C-N-CA 128.384 2.673 . . . . 0.0 112.924 -173.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.76 150.58 43.2 Favored Glycine 2 N--CA 1.541 5.633 0 N-CA-C 118.601 2.2 . . . . 0.0 118.601 -172.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -81.56 -26.89 34.64 Favored 'General case' 1 N--CA 1.566 5.326 0 C-N-CA 127.454 2.302 . . . . 0.0 113.919 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.6 m -88.73 -21.26 23.94 Favored 'General case' 2 C--N 1.441 4.578 0 C-N-CA 127.032 2.133 . . . . 0.0 112.862 172.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.05 51.82 0.55 Allowed Glycine 1 C--N 1.452 7.006 0 C-N-CA 125.824 1.678 . . . . 0.0 114.048 173.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.517 3.7 mm? 65.07 -41.42 0.3 Allowed 'General case' 2 C--N 1.451 5.02 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 -179.253 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.06 25.29 6.51 Favored Glycine 2 N--CA 1.523 4.485 0 C-N-CA 125.613 1.578 . . . . 0.0 115.975 178.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -154.64 169.02 24.86 Favored 'General case' 1 C--N 1.44 4.534 0 C-N-CA 128.528 2.731 . . . . 0.0 109.505 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.588 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 58.8 m -135.02 144.12 47.15 Favored 'General case' 1 C--N 1.448 4.89 0 C-N-CA 124.089 0.956 . . . . 0.0 110.948 166.221 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.413 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.494 2.0 pp -120.68 129.0 76.1 Favored 'Isoleucine or valine' 2 N--CA 1.565 5.276 0 N-CA-C 119.23 3.048 . . . . 0.0 119.23 -175.361 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.65 118.23 36.37 Favored 'General case' 1 C--N 1.438 4.429 0 CA-C-N 113.2 -1.818 . . . . 0.0 111.853 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.91 159.04 24.47 Favored Glycine 0 N--CA 1.512 3.753 0 C-N-CA 126.226 1.869 . . . . 0.0 112.967 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.86 120.87 0.66 Allowed Glycine 1 C--N 1.414 4.868 0 N-CA-C 120.19 2.836 . . . . 0.0 120.19 -176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.294 12.0 p -104.44 -37.42 7.19 Favored 'General case' 1 N--CA 1.555 4.817 0 O-C-N 125.757 1.504 . . . . 0.0 113.397 161.336 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -106.36 -35.65 7.07 Favored 'General case' 2 C--N 1.435 4.314 0 C-N-CA 125.286 1.435 . . . . 0.0 113.34 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -101.44 118.99 58.78 Favored Pre-proline 2 C--N 1.441 4.568 0 C-N-CA 127.135 2.174 . . . . 0.0 113.624 -178.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HB2' ' HB2' ' B' ' 3' ' ' SER . 14.9 Cg_exo -66.3 151.25 83.82 Favored 'Trans proline' 3 C--N 1.552 11.274 0 C-N-CA 123.919 3.079 . . . . 0.0 117.409 176.057 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -105.13 -49.66 3.42 Favored 'General case' 1 CA--C 1.629 4.017 0 C-N-CA 128.395 2.678 . . . . 0.0 113.148 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.518 ' HA ' HG12 ' B' ' 1' ' ' VAL 0.348 2.7 pp -131.26 -51.76 0.88 Allowed 'Isoleucine or valine' 1 N--CA 1.573 5.69 0 C-N-CA 126.167 1.787 . . . . 0.0 114.212 -165.45 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.93 33.34 0.3 Allowed Glycine 0 N--CA 1.497 2.744 0 C-N-CA 128.827 3.108 . . . . 0.0 112.972 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.41 12.1 t70 80.42 72.5 0.03 OUTLIER 'General case' 2 N--CA 1.571 5.593 0 C-N-CA 130.736 3.614 . . . . 0.0 110.432 -177.861 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.69 126.14 56.97 Favored Pre-proline 1 CA--C 1.677 5.863 0 CA-C-N 112.215 -2.266 . . . . 0.0 114.272 -176.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -76.8 -28.68 6.13 Favored 'Trans proline' 3 C--N 1.553 11.318 0 C-N-CA 124.187 3.258 . . . . 0.0 118.112 175.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m -91.74 152.65 20.08 Favored 'General case' 2 N--CA 1.557 4.896 0 C-N-CA 127.06 2.144 . . . . 0.0 114.009 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.592 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.291 0.6 OUTLIER -92.66 119.46 40.3 Favored 'Isoleucine or valine' 3 C--N 1.452 5.052 0 C-N-CA 125.529 1.532 . . . . 0.0 110.142 -177.709 . . . . . . . . 5 4 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -121.36 155.1 35.51 Favored 'General case' 1 N--CA 1.546 4.335 0 C-N-CA 127.686 2.395 . . . . 0.0 112.183 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -90.44 141.7 14.0 Favored 'Isoleucine or valine' 1 C--N 1.456 5.199 0 C-N-CA 125.938 1.695 . . . . 0.0 108.787 168.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.302 20.3 p -142.4 -28.16 0.6 Allowed 'General case' 1 N--CA 1.563 5.187 0 C-N-CA 127.065 2.146 . . . . 0.0 112.907 -179.626 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.588 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.287 51.9 tptt -119.8 126.39 50.89 Favored 'General case' 1 C--N 1.466 5.643 0 C-N-CA 124.103 0.961 . . . . 0.0 112.823 178.322 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.651 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 45.0 mm -127.43 124.39 63.67 Favored 'Isoleucine or valine' 0 C--N 1.411 3.266 0 C-N-CA 127.411 2.284 . . . . 0.0 107.951 172.28 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.299 3.0 mp -81.04 128.95 69.33 Favored Pre-proline 2 CA--C 1.68 5.97 0 C-N-CA 127.243 2.217 . . . . 0.0 110.913 173.455 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.63 -21.98 70.24 Favored 'Trans proline' 3 C--N 1.541 10.659 0 C-N-CA 124.315 3.343 . . . . 0.0 117.645 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.14 37.44 2.2 Favored Glycine 1 C--N 1.43 5.758 0 CA-C-O 117.891 -1.505 . . . . 0.0 115.963 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.05 -178.05 39.07 Favored Glycine 2 C--N 1.445 6.632 0 C-N-CA 125.152 1.358 . . . . 0.0 116.149 174.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.03 -35.34 31.98 Favored 'General case' 0 N--CA 1.537 3.888 0 C-N-CA 128.384 2.674 . . . . 0.0 115.706 -177.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.64 -24.03 36.6 Favored 'General case' 2 N--CA 1.565 5.31 0 C-N-CA 126.945 2.098 . . . . 0.0 116.193 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.35 -41.65 16.55 Favored 'General case' 1 C--N 1.441 4.551 0 C-N-CA 127.266 2.226 . . . . 0.0 113.31 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -91.14 -56.7 3.06 Favored 'General case' 1 C--N 1.45 4.955 0 C-N-CA 127.251 2.22 . . . . 0.0 115.039 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.68 -32.96 15.99 Favored 'General case' 2 C--N 1.461 5.417 0 N-CA-C 117.805 2.52 . . . . 0.0 117.805 -173.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.32 -49.07 4.08 Favored Glycine 2 C--N 1.437 6.165 0 N-CA-C 117.573 1.789 . . . . 0.0 117.573 -172.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.577 84.3 mtm180 88.28 54.72 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.793 0 C-N-CA 130.597 3.559 . . . . 0.0 116.809 -179.168 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tp -111.15 132.33 54.39 Favored 'General case' 0 C--N 1.417 3.51 0 C-N-CA 127.609 2.364 . . . . 0.0 111.637 171.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -111.45 153.18 26.5 Favored 'General case' 0 N--CA 1.526 3.363 0 C-N-CA 127.66 2.384 . . . . 0.0 110.563 170.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.41 -27.69 25.08 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.061 0 C-N-CA 129.008 2.923 . . . . 0.0 115.996 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -91.72 9.33 32.96 Favored 'General case' 1 CA--C 1.67 5.591 0 C-N-CA 128.748 2.819 . . . . 0.0 112.253 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.25 1.8 m-20 -84.77 -31.91 23.69 Favored 'General case' 2 C--N 1.491 6.754 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 179.472 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.5 t 45.18 122.77 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.677 0 C-N-CA 129.379 3.072 . . . . 0.0 115.978 176.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.45 HG21 HG13 ' A' ' 64' ' ' VAL 0.256 28.4 mt -84.04 130.98 34.98 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.928 0 C-N-CA 125.283 1.433 . . . . 0.0 111.011 -176.529 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.5 pt? -97.75 -45.48 6.33 Favored 'General case' 1 C--N 1.432 4.189 0 O-C-N 125.218 1.574 . . . . 0.0 112.152 166.493 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -133.36 137.44 45.89 Favored 'General case' 1 C--N 1.448 4.888 0 O-C-N 124.981 1.426 . . . . 0.0 112.988 -176.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.45 HG13 HG21 ' A' ' 61' ' ' ILE 0.466 1.3 m -121.02 139.59 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.789 0 C-N-CA 124.754 1.221 . . . . 0.0 112.112 171.66 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 69.24 -5.34 1.11 Allowed 'General case' 2 N--CA 1.598 6.946 0 C-N-CA 128.838 2.855 . . . . 0.0 115.673 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.416 11.8 mm-40 92.54 7.77 0.04 OUTLIER 'General case' 3 N--CA 1.58 6.053 0 C-N-CA 131.451 3.9 . . . . 0.0 111.994 -160.254 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.386 28.4 m -95.51 151.6 3.89 Favored 'Isoleucine or valine' 1 C--N 1.463 5.535 0 C-N-CA 127.931 2.493 . . . . 0.0 113.723 178.01 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.431 4.4 p30 -84.33 101.95 12.34 Favored 'General case' 0 C--N 1.404 2.945 0 C-N-CA 127.36 2.264 . . . . 0.0 115.455 -173.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.476 27.8 m -97.83 -3.72 9.85 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.229 0 CA-C-N 112.878 -1.965 . . . . 0.0 115.574 176.277 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -46.06 -28.47 1.19 Allowed 'General case' 3 N--CA 1.596 6.844 0 C-N-CA 128.62 2.768 . . . . 0.0 116.625 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -151.85 82.1 1.28 Allowed 'General case' 1 C--N 1.459 5.365 0 C-N-CA 129.651 3.181 . . . . 0.0 108.741 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.561 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.293 17.6 m -141.89 163.81 19.21 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.613 0 C-N-CA 126.616 1.966 . . . . 0.0 111.015 178.399 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 p -78.88 163.98 24.84 Favored 'General case' 1 N--CA 1.57 5.532 0 C-N-CA 126.729 2.012 . . . . 0.0 111.364 166.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.279 55.9 p-80 -54.07 -52.05 62.15 Favored 'General case' 2 N--CA 1.597 6.922 0 C-N-CA 125.518 1.527 . . . . 0.0 114.24 177.081 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -60.66 -33.73 73.25 Favored 'General case' 2 N--CA 1.556 4.867 0 C-N-CA 126.979 2.112 . . . . 0.0 112.958 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.26 -24.37 63.97 Favored 'General case' 2 C--N 1.452 5.037 0 C-N-CA 128.327 2.651 . . . . 0.0 114.145 174.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.67 -31.83 16.45 Favored 'General case' 1 C--N 1.461 5.429 0 C-N-CA 126.744 2.017 . . . . 0.0 113.192 174.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.0 t -74.55 -41.54 48.87 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.736 0 C-N-CA 127.589 2.356 . . . . 0.0 111.488 176.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.08 -20.3 66.12 Favored 'General case' 1 N--CA 1.597 6.892 0 C-N-CA 128.575 2.75 . . . . 0.0 115.224 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.73 -29.65 62.37 Favored 'General case' 1 C--N 1.431 4.131 0 C-N-CA 126.626 1.97 . . . . 0.0 111.321 166.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.431 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.254 12.5 mt -93.04 -31.24 14.93 Favored 'General case' 1 C--N 1.456 5.23 0 C-N-CA 126.904 2.082 . . . . 0.0 116.107 -178.768 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -85.01 -38.54 19.1 Favored 'General case' 1 N--CA 1.544 4.257 0 C-N-CA 127.341 2.256 . . . . 0.0 113.104 176.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.268 39.2 mt-10 -90.0 -17.23 28.23 Favored 'General case' 2 N--CA 1.59 6.544 0 N-CA-C 120.011 3.337 . . . . 0.0 120.011 -175.809 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.49 -22.93 46.99 Favored 'General case' 3 N--CA 1.592 6.641 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.83 -35.12 5.2 Favored Glycine 1 C--N 1.423 5.379 0 N-CA-C 119.822 2.689 . . . . 0.0 119.822 165.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 t -173.42 -30.96 0.01 OUTLIER 'General case' 1 N--CA 1.566 5.365 0 C-N-CA 128.324 2.65 . . . . 0.0 111.016 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.276 23.4 mm -123.1 124.83 71.04 Favored 'Isoleucine or valine' 1 C--N 1.437 4.41 0 C-N-CA 125.545 1.538 . . . . 0.0 109.563 -178.96 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.371 23.3 m -124.57 121.54 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.758 0 C-N-CA 127.906 2.483 . . . . 0.0 111.945 178.551 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.406 37.0 ptt180 -113.46 99.69 7.95 Favored 'General case' 1 N--CA 1.556 4.829 0 C-N-CA 125.824 1.649 . . . . 0.0 115.302 -176.054 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.26 137.04 32.68 Favored 'General case' 0 N--CA 1.533 3.715 0 C-N-CA 127.321 2.248 . . . . 0.0 114.144 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -118.6 110.38 17.28 Favored 'General case' 1 C--O 1.318 4.666 0 C-N-CA 126.694 1.998 . . . . 0.0 110.57 177.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 31.3 m -106.48 159.39 6.35 Favored 'Isoleucine or valine' 2 CA--C 1.659 5.144 0 O-C-N 127.106 2.754 . . . . 0.0 114.793 -176.398 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.286 25.8 ptt? -128.15 120.97 28.41 Favored 'General case' 1 N--CA 1.572 5.66 0 C-N-CA 127.467 2.307 . . . . 0.0 114.644 -175.21 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.413 ' HG3' ' HG3' ' A' ' 6' ' ' GLU 0.354 35.4 ptt180 -124.55 125.89 44.92 Favored 'General case' 1 N--CA 1.54 4.029 0 C-N-CA 127.007 2.123 . . . . 0.0 112.099 175.926 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -75.8 139.7 41.92 Favored 'General case' 1 N--CA 1.558 4.971 0 C-N-CA 127.265 2.226 . . . . 0.0 116.355 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.288 2.0 pptp? -68.63 128.58 92.93 Favored Pre-proline 2 CA--C 1.666 5.422 0 C-N-CA 128.564 2.746 . . . . 0.0 116.438 -178.674 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -72.7 144.95 40.45 Favored 'Trans proline' 3 C--N 1.548 11.039 0 C-N-CA 123.563 2.842 . . . . 0.0 116.334 176.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -68.45 136.75 37.61 Favored 'Trans proline' 3 C--N 1.552 11.252 0 C-N-CA 123.821 3.014 . . . . 0.0 116.763 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.431 4.139 0 C-N-CA 126.491 1.916 . . . . 0.0 112.866 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 32' ' ' ILE 0.467 5.9 m . . . . . 0 N--CA 1.535 3.813 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.427 14.8 m -103.14 -38.41 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.451 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -176.021 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.448 ' HB2' ' HB2' ' A' ' 30' ' ' PRO 0.255 67.3 m -130.83 -53.12 1.06 Allowed 'General case' 2 C--N 1.454 5.111 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -172.462 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.399 18.6 tt0 60.39 -78.48 0.02 OUTLIER 'General case' 2 C--N 1.465 5.601 0 C-N-CA 130.6 3.56 . . . . 0.0 114.556 -176.85 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.412 97.8 mtt180 45.31 65.2 1.17 Allowed 'General case' 2 N--CA 1.578 5.965 0 C-N-CA 128.708 2.803 . . . . 0.0 114.65 -173.199 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.537 11.1 tt -90.9 -100.33 0.04 OUTLIER 'Isoleucine or valine' 2 CA--C 1.639 4.397 0 CA-C-N 113.178 -1.828 . . . . 0.0 113.101 -173.606 . . . . . . . . 3 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 67.9 m 47.48 24.65 0.51 Allowed 'General case' 3 N--CA 1.623 8.19 0 C-N-CA 128.414 2.686 . . . . 0.0 115.544 -175.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 71.2 m -80.89 -171.23 3.07 Favored 'General case' 2 CA--C 1.633 4.157 0 C-N-CA 129.303 3.041 . . . . 0.0 115.574 -168.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 1 C--N 1.433 4.213 0 C-N-CA 127.077 2.151 . . . . 0.0 109.513 -173.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 CA-C-O 119.437 -0.646 . . . . 0.0 112.985 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.42 133.9 53.39 Favored 'General case' 0 N--CA 1.536 3.852 0 C-N-CA 126.486 1.914 . . . . 0.0 113.283 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.2 mmt -111.93 144.79 40.68 Favored 'General case' 0 C--N 1.428 3.982 0 C-N-CA 126.243 1.817 . . . . 0.0 113.981 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -105.97 165.99 10.81 Favored 'General case' 1 N--CA 1.541 4.106 0 C-N-CA 126.75 2.02 . . . . 0.0 113.769 -177.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.268 17.5 ptt? -108.78 158.58 17.51 Favored 'General case' 0 CA--C 1.625 3.833 0 C-N-CA 128.91 2.884 . . . . 0.0 114.181 -178.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -127.75 124.79 38.62 Favored 'General case' 1 N--CA 1.558 4.934 0 C-N-CA 127.792 2.437 . . . . 0.0 111.65 -177.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -104.22 144.1 32.06 Favored 'General case' 1 N--CA 1.55 4.553 0 C-N-CA 126.495 1.918 . . . . 0.0 113.051 -177.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -130.62 133.07 45.84 Favored 'General case' 2 N--CA 1.552 4.664 0 C-N-CA 124.58 1.152 . . . . 0.0 111.578 -177.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.287 11.5 pt-20 -106.23 113.03 26.31 Favored 'General case' 2 N--CA 1.541 4.098 0 C-N-CA 126.501 1.92 . . . . 0.0 112.661 175.393 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -114.96 146.9 18.8 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.1 0 C-N-CA 125.306 1.442 . . . . 0.0 110.634 -176.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.28 127.23 55.33 Favored 'General case' 2 N--CA 1.552 4.675 0 C-N-CA 127.246 2.218 . . . . 0.0 113.571 172.494 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.37 149.55 51.1 Favored 'General case' 0 N--CA 1.536 3.851 0 C-N-CA 126.798 2.039 . . . . 0.0 113.258 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -96.77 122.95 40.28 Favored 'General case' 2 N--CA 1.55 4.564 0 C-N-CA 126.796 2.039 . . . . 0.0 109.628 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -92.58 134.85 34.59 Favored 'General case' 0 N--CA 1.529 3.506 0 C-N-CA 127.542 2.337 . . . . 0.0 114.428 -174.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.39 -57.89 4.19 Favored Glycine 2 N--CA 1.547 6.083 0 O-C-N 126.104 2.128 . . . . 0.0 117.81 165.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -65.18 -25.16 67.6 Favored 'General case' 1 N--CA 1.571 5.591 0 C-N-CA 127.714 2.406 . . . . 0.0 115.23 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.9 p -102.24 -23.81 13.97 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 125.614 1.566 . . . . 0.0 114.352 174.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.19 61.98 1.61 Allowed Glycine 2 C--N 1.49 9.139 0 CA-C-O 118.273 -1.293 . . . . 0.0 114.069 172.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 95.3 mt -41.54 121.69 1.75 Allowed 'General case' 2 N--CA 1.568 5.47 0 C-N-CA 128.403 2.681 . . . . 0.0 117.029 -172.286 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.573 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . -104.17 60.82 0.43 Allowed Glycine 1 C--N 1.418 5.119 0 C-N-CA 126.436 1.969 . . . . 0.0 117.211 -167.273 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -158.95 165.05 34.99 Favored 'General case' 0 CA--C 1.624 3.796 0 C-N-CA 128.774 2.83 . . . . 0.0 108.561 167.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.58 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 75.7 m -131.31 139.25 49.52 Favored 'General case' 1 C--N 1.437 4.404 0 C-N-CA 125.645 1.578 . . . . 0.0 110.098 170.426 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' B' ' 8' ' ' SER 0.512 2.1 pp -113.97 122.74 68.68 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.256 0 N-CA-C 119.216 3.043 . . . . 0.0 119.216 -174.025 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.483 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -104.53 117.61 34.56 Favored 'General case' 0 C--N 1.427 3.953 0 CA-C-N 113.505 -1.68 . . . . 0.0 111.464 -176.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.72 153.26 14.54 Favored Glycine 0 C--N 1.382 3.133 0 CA-C-N 113.399 -1.728 . . . . 0.0 113.089 -174.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.05 147.66 6.32 Favored Glycine 0 N--CA 1.514 3.861 0 N-CA-C 117.794 1.877 . . . . 0.0 117.794 -169.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.253 6.1 p -96.78 -33.27 11.74 Favored 'General case' 1 N--CA 1.56 5.073 0 C-N-CA 126.433 1.893 . . . . 0.0 113.268 167.629 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.72 -38.56 7.02 Favored 'General case' 1 C--N 1.432 4.164 0 C-N-CA 125.915 1.686 . . . . 0.0 112.473 175.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -101.67 99.4 11.62 Favored Pre-proline 2 CA--C 1.689 6.296 0 C-N-CA 126.568 1.947 . . . . 0.0 110.552 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HB2' ' HB2' ' B' ' 3' ' ' SER . 23.1 Cg_exo -69.28 164.64 33.28 Favored 'Trans proline' 3 C--N 1.542 10.719 0 C-N-CA 124.269 3.313 . . . . 0.0 117.814 178.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -119.79 -41.81 2.65 Favored 'General case' 1 C--N 1.431 4.128 0 C-N-CA 127.309 2.244 . . . . 0.0 111.964 171.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.322 3.5 tp -113.29 16.15 8.12 Favored 'Isoleucine or valine' 1 CA--C 1.671 5.604 0 C-N-CA 126.513 1.925 . . . . 0.0 113.783 -168.866 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.88 -72.05 0.48 Allowed Glycine 1 C--N 1.406 4.434 0 C-N-CA 125.722 1.63 . . . . 0.0 113.328 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.27 4.6 p-10 -156.84 14.25 0.27 Allowed 'General case' 3 N--CA 1.575 5.804 0 C-N-CA 128.056 2.543 . . . . 0.0 114.997 -176.332 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -88.68 145.25 34.7 Favored Pre-proline 3 CA--C 1.655 5.013 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 -170.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.87 -13.24 26.58 Favored 'Trans proline' 3 C--N 1.562 11.812 0 C-N-CA 124.62 3.547 . . . . 0.0 120.064 -177.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.6 t -75.0 141.42 43.96 Favored 'General case' 3 N--CA 1.566 5.34 0 C-N-CA 126.712 2.005 . . . . 0.0 114.599 -173.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 1.605 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.261 0.7 OUTLIER -98.18 129.09 48.92 Favored 'Isoleucine or valine' 3 C--N 1.444 4.677 0 C-N-CA 126.15 1.78 . . . . 0.0 109.835 -178.744 . . . . . . . . 5 4 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -134.99 158.94 43.05 Favored 'General case' 1 N--CA 1.557 4.88 0 C-N-CA 128.281 2.632 . . . . 0.0 111.312 -176.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -90.31 144.43 9.13 Favored 'Isoleucine or valine' 2 C--N 1.462 5.459 0 C-N-CA 125.998 1.719 . . . . 0.0 109.766 172.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.432 14.0 t -145.52 -28.09 0.45 Allowed 'General case' 1 N--CA 1.555 4.782 0 C-N-CA 126.453 1.901 . . . . 0.0 113.627 179.632 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 11.3 tmtt? -122.96 125.62 45.64 Favored 'General case' 1 C--N 1.459 5.35 0 O-C-N 124.163 0.914 . . . . 0.0 110.702 -179.051 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.608 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 41.1 mm -122.15 128.67 75.61 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.167 0 C-N-CA 127.119 2.168 . . . . 0.0 108.442 174.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.29 3.9 mp -83.58 130.24 56.73 Favored Pre-proline 1 CA--C 1.682 6.034 0 C-N-CA 125.689 1.596 . . . . 0.0 109.951 172.705 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.65 -22.02 70.13 Favored 'Trans proline' 3 C--N 1.536 10.408 0 C-N-CA 124.401 3.4 . . . . 0.0 117.706 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.57 46.06 1.09 Allowed Glycine 1 C--N 1.428 5.668 0 O-C-N 124.753 1.283 . . . . 0.0 115.292 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.573 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -99.24 -177.37 31.64 Favored Glycine 2 C--N 1.434 6.002 0 C-N-CA 125.832 1.682 . . . . 0.0 115.093 173.678 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.72 -39.09 27.63 Favored 'General case' 1 N--CA 1.546 4.332 0 C-N-CA 126.842 2.057 . . . . 0.0 116.445 -176.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.27 -24.72 37.1 Favored 'General case' 2 N--CA 1.557 4.895 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.19 -46.2 12.13 Favored 'General case' 1 C--N 1.45 4.947 0 C-N-CA 127.674 2.389 . . . . 0.0 113.785 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -90.65 -53.04 4.59 Favored 'General case' 1 C--N 1.45 4.943 0 C-N-CA 127.649 2.38 . . . . 0.0 114.913 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.91 -35.7 14.59 Favored 'General case' 1 C--N 1.455 5.172 0 N-CA-C 117.947 2.573 . . . . 0.0 117.947 -172.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.3 -74.68 1.29 Allowed Glycine 2 C--N 1.463 7.616 0 N-CA-C 118.187 2.035 . . . . 0.0 118.187 -170.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 173.79 -25.87 0.0 OUTLIER 'General case' 2 N--CA 1.623 8.188 0 C-N-CA 129.217 3.007 . . . . 0.0 114.215 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . 0.29 2.0 tt -77.92 128.78 34.47 Favored 'General case' 1 C--N 1.453 5.069 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -161.996 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -111.32 155.4 23.11 Favored 'General case' 0 CA--C 1.612 3.36 0 C-N-CA 129.156 2.983 . . . . 0.0 110.57 170.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 p -54.23 -27.18 16.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.41 0 C-N-CA 129.626 3.17 . . . . 0.0 116.138 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -91.32 8.9 33.8 Favored 'General case' 1 CA--C 1.668 5.483 0 C-N-CA 128.586 2.754 . . . . 0.0 112.395 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.98 -35.52 17.57 Favored 'General case' 2 C--N 1.484 6.43 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.271 70.3 m 44.74 118.47 0.0 OUTLIER 'General case' 2 N--CA 1.591 6.59 0 C-N-CA 129.557 3.143 . . . . 0.0 117.044 177.27 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mt -85.26 127.77 39.67 Favored 'Isoleucine or valine' 1 N--CA 1.565 5.296 0 C-N-CA 125.062 1.345 . . . . 0.0 110.376 -175.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.5 pt? -93.36 -43.36 8.82 Favored 'General case' 0 C--N 1.428 3.985 0 O-C-N 125.063 1.477 . . . . 0.0 112.652 170.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -129.82 127.32 40.04 Favored 'General case' 2 C--N 1.447 4.819 0 O-C-N 125.108 1.505 . . . . 0.0 113.517 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 t -115.04 129.86 70.52 Favored 'Isoleucine or valine' 1 N--CA 1.593 6.694 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 -178.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 74.43 -4.95 2.2 Favored 'General case' 2 N--CA 1.629 8.504 0 C-N-CA 128.625 2.77 . . . . 0.0 114.597 -174.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.399 46.8 mt-10 89.12 7.9 0.11 Allowed 'General case' 3 N--CA 1.582 6.145 0 C-N-CA 130.976 3.711 . . . . 0.0 111.654 -159.621 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.401 21.4 m -94.62 156.01 3.19 Favored 'Isoleucine or valine' 1 C--N 1.468 5.75 0 C-N-CA 126.74 2.016 . . . . 0.0 113.841 178.972 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.442 4.5 p-10 -82.02 98.0 8.4 Favored 'General case' 0 C--N 1.414 3.393 0 C-N-CA 127.095 2.158 . . . . 0.0 115.21 -173.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.422 26.4 m -91.61 -15.31 8.35 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.208 0 CA-C-N 112.741 -2.027 . . . . 0.0 115.124 176.548 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.307 17.0 ptm180 -44.66 -26.51 0.39 Allowed 'General case' 3 N--CA 1.583 6.179 0 C-N-CA 128.582 2.753 . . . . 0.0 118.173 -179.61 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -145.88 73.69 1.35 Allowed 'General case' 1 C--N 1.442 4.623 0 C-N-CA 129.443 3.097 . . . . 0.0 108.982 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 1.587 ' CA ' ' CB ' ' A' ' 72' ' ' VAL 0.293 16.7 m -142.78 159.99 18.52 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.628 0 C-N-CA 126.756 2.022 . . . . 0.0 110.635 178.051 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -77.6 163.68 26.03 Favored 'General case' 1 N--CA 1.575 5.818 0 C-N-CA 126.59 1.956 . . . . 0.0 111.8 167.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.319 26.4 p-80 -51.0 -52.68 40.36 Favored 'General case' 2 N--CA 1.595 6.777 0 C-N-CA 125.933 1.693 . . . . 0.0 114.635 175.61 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 m -59.24 -35.94 74.56 Favored 'General case' 2 N--CA 1.567 5.394 0 C-N-CA 126.963 2.105 . . . . 0.0 113.538 176.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.38 -22.71 61.84 Favored 'General case' 2 C--N 1.452 5.031 0 C-N-CA 128.643 2.777 . . . . 0.0 114.303 174.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.6 -32.61 16.19 Favored 'General case' 1 C--N 1.46 5.386 0 C-N-CA 126.971 2.108 . . . . 0.0 112.78 175.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -75.23 -39.91 43.06 Favored 'Isoleucine or valine' 3 N--CA 1.588 6.428 0 C-N-CA 128.209 2.604 . . . . 0.0 110.721 175.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.8 mt-10 -65.56 -16.96 64.21 Favored 'General case' 2 N--CA 1.591 6.591 0 C-N-CA 128.019 2.528 . . . . 0.0 114.587 175.198 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.83 -28.02 55.36 Favored 'General case' 0 CA--C 1.629 3.999 0 C-N-CA 127.28 2.232 . . . . 0.0 111.748 166.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.507 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.3 mt -91.1 -45.89 8.43 Favored 'General case' 1 C--N 1.46 5.396 0 C-N-CA 126.091 1.756 . . . . 0.0 114.534 177.102 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.01 -32.83 61.72 Favored 'General case' 1 N--CA 1.547 4.4 0 C-N-CA 127.838 2.455 . . . . 0.0 114.333 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.277 40.2 mt-10 -89.8 -17.67 27.72 Favored 'General case' 2 N--CA 1.587 6.413 0 N-CA-C 119.698 3.221 . . . . 0.0 119.698 -178.116 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.76 -24.77 64.33 Favored 'General case' 3 N--CA 1.597 6.918 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.9 -34.95 4.84 Favored Glycine 1 C--N 1.421 5.272 0 N-CA-C 119.02 2.368 . . . . 0.0 119.02 165.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.3 t -177.18 -30.11 0.01 OUTLIER 'General case' 2 N--CA 1.567 5.392 0 C-N-CA 128.596 2.758 . . . . 0.0 111.032 -175.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.285 21.8 mm -123.83 116.1 47.07 Favored 'Isoleucine or valine' 1 C--N 1.442 4.599 0 C-N-CA 125.846 1.658 . . . . 0.0 109.071 -175.588 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.507 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.275 0.0 OUTLIER -119.8 122.71 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.027 0 CA-C-N 111.99 -2.368 . . . . 0.0 113.362 -177.167 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.385 36.4 ptt180 -109.5 103.71 12.65 Favored 'General case' 1 N--CA 1.551 4.607 0 C-N-CA 126.958 2.103 . . . . 0.0 114.875 -178.079 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.0 141.36 32.92 Favored 'General case' 0 N--CA 1.532 3.638 0 C-N-CA 127.69 2.396 . . . . 0.0 113.69 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -120.14 112.33 18.96 Favored 'General case' 0 C--O 1.3 3.717 0 C-N-CA 126.708 2.003 . . . . 0.0 111.525 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.254 33.4 m -105.3 160.12 5.45 Favored 'Isoleucine or valine' 2 N--CA 1.572 5.641 0 O-C-N 126.458 2.349 . . . . 0.0 115.25 -175.781 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.302 25.5 ptt? -127.13 116.77 21.18 Favored 'General case' 2 N--CA 1.563 5.198 0 C-N-CA 127.809 2.444 . . . . 0.0 114.017 -175.164 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -130.9 156.63 44.74 Favored 'General case' 0 CA--C 1.628 3.96 0 C-N-CA 126.999 2.119 . . . . 0.0 109.788 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -100.26 146.66 26.64 Favored 'General case' 1 N--CA 1.55 4.575 0 C-N-CA 127.316 2.246 . . . . 0.0 113.869 177.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -64.42 123.06 81.64 Favored Pre-proline 3 N--CA 1.571 5.603 0 C-N-CA 127.91 2.484 . . . . 0.0 115.417 -179.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -74.72 141.45 27.55 Favored 'Trans proline' 3 C--N 1.55 11.146 0 C-N-CA 123.62 2.88 . . . . 0.0 116.552 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -69.06 -32.42 21.54 Favored 'Trans proline' 3 C--N 1.548 11.027 0 C-N-CA 123.841 3.027 . . . . 0.0 117.538 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.449 4.904 0 C-N-CA 126.514 1.925 . . . . 0.0 112.688 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.367 7.6 p . . . . . 0 N--CA 1.513 2.705 0 CA-C-O 118.603 -0.713 . . . . 0.0 112.675 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.57 12.1 m -103.52 62.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.534 3.772 0 CA-C-O 123.302 1.525 . . . . 0.0 111.971 167.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 30' ' ' PRO 0.35 74.7 m -57.16 8.72 0.01 OUTLIER 'General case' 2 N--CA 1.561 5.104 0 N-CA-C 121.588 3.922 . . . . 0.0 121.588 -177.463 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.297 0.0 OUTLIER -108.82 156.41 19.67 Favored 'General case' 0 C--N 1.419 3.603 0 N-CA-C 116.734 2.124 . . . . 0.0 116.734 179.52 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -87.55 -30.45 20.53 Favored 'General case' 2 CA--C 1.64 4.413 0 C-N-CA 128.516 2.726 . . . . 0.0 113.452 171.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' A' ' 24' ' ' ALA 0.629 10.4 tp 56.66 76.57 0.08 OUTLIER 'Isoleucine or valine' 2 N--CA 1.575 5.821 0 C-N-CA 130.518 3.527 . . . . 0.0 115.56 -179.383 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 73.2 m -124.01 19.04 9.25 Favored 'General case' 2 N--CA 1.583 6.183 0 CA-C-N 112.082 -2.326 . . . . 0.0 115.046 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.426 ' HB3' HD12 ' A' ' 23' ' ' ILE . 48.9 m -94.05 -178.53 4.67 Favored 'General case' 2 N--CA 1.549 4.509 0 C-N-CA 126.807 2.043 . . . . 0.0 116.035 -170.24 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 1.546 ' CA ' ' CB ' ' B' ' 9' ' ' VAL . 3.3 t . . . . . 3 C--N 1.461 5.416 0 C-N-CA 126.848 2.059 . . . . 0.0 107.596 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.58 0 CA-C-O 119.469 -0.628 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.38 124.71 53.09 Favored 'General case' 0 C--N 1.426 3.914 0 C-N-CA 126.276 1.831 . . . . 0.0 112.874 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -114.62 140.25 48.97 Favored 'General case' 1 N--CA 1.539 4.012 0 C-N-CA 126.343 1.857 . . . . 0.0 113.574 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -109.07 166.82 10.55 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 126.777 2.031 . . . . 0.0 112.785 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.274 18.1 ptt? -106.01 160.02 15.61 Favored 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 128.72 2.808 . . . . 0.0 114.013 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.324 10.4 pt-20 -127.27 122.18 33.18 Favored 'General case' 1 N--CA 1.551 4.618 0 C-N-CA 127.206 2.202 . . . . 0.0 112.891 -176.576 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -102.19 142.73 32.96 Favored 'General case' 1 N--CA 1.549 4.501 0 C-N-CA 126.145 1.778 . . . . 0.0 113.043 -177.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -126.96 131.49 51.06 Favored 'General case' 1 C--N 1.434 4.251 0 C-N-CA 124.712 1.205 . . . . 0.0 110.884 -177.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.295 11.6 pt-20 -105.97 113.25 26.69 Favored 'General case' 0 C--N 1.422 3.728 0 C-N-CA 126.454 1.902 . . . . 0.0 112.407 175.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -111.46 136.59 47.08 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.284 0 C-N-CA 124.742 1.217 . . . . 0.0 109.136 -178.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -121.95 116.19 23.9 Favored 'General case' 0 N--CA 1.528 3.448 0 C-N-CA 125.76 1.624 . . . . 0.0 107.694 173.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.12 145.59 44.77 Favored 'General case' 0 C--N 1.406 3.035 0 C-N-CA 126.949 2.1 . . . . 0.0 112.012 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -93.96 122.57 36.6 Favored 'General case' 1 N--CA 1.545 4.277 0 C-N-CA 126.571 1.948 . . . . 0.0 107.409 172.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.338 53.4 mtp180 -55.18 114.24 1.7 Allowed 'General case' 1 N--CA 1.551 4.614 0 C-N-CA 128.514 2.726 . . . . 0.0 117.622 -172.013 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.498 ' H ' HD13 ' A' ' 19' ' ' LEU . . . -67.54 159.45 50.42 Favored Glycine 3 N--CA 1.552 6.426 0 CA-C-N 113.015 -1.902 . . . . 0.0 117.755 -177.773 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.293 30.3 p30 -68.55 -30.17 68.89 Favored 'General case' 1 N--CA 1.575 5.789 0 C-N-CA 127.386 2.274 . . . . 0.0 116.232 -179.328 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.3 m -95.78 -19.68 19.44 Favored 'General case' 0 N--CA 1.538 3.957 0 C-N-CA 127.467 2.307 . . . . 0.0 113.249 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.81 60.45 0.43 Allowed Glycine 1 C--N 1.453 7.031 0 C-N-CA 126.199 1.857 . . . . 0.0 110.79 -177.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.498 HD13 ' H ' ' A' ' 15' ' ' GLY 0.516 2.6 mm? 70.5 -86.2 0.03 OUTLIER 'General case' 1 C--N 1.447 4.82 0 C-N-CA 130.258 3.423 . . . . 0.0 114.709 -171.952 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.43 38.03 0.02 OUTLIER Glycine 0 C--N 1.395 3.806 0 C-N-CA 126.066 1.793 . . . . 0.0 113.401 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -156.19 170.28 22.6 Favored 'General case' 1 C--N 1.449 4.918 0 C-N-CA 128.547 2.739 . . . . 0.0 109.133 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 67.3 m -137.13 145.28 43.64 Favored 'General case' 1 C--N 1.444 4.69 0 C-N-CA 125.057 1.343 . . . . 0.0 111.028 169.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.551 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.545 2.3 pp -119.37 124.57 73.25 Favored 'Isoleucine or valine' 2 N--CA 1.57 5.533 0 N-CA-C 119.389 3.107 . . . . 0.0 119.389 -174.588 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -107.17 117.72 34.8 Favored 'General case' 1 C--N 1.44 4.518 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.006 -176.682 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.34 158.67 31.52 Favored Glycine 0 N--CA 1.512 3.709 0 C-N-CA 125.909 1.718 . . . . 0.0 113.229 -175.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.31 147.5 6.29 Favored Glycine 1 C--N 1.399 4.044 0 N-CA-C 118.366 2.106 . . . . 0.0 118.366 -171.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.251 8.5 p -101.87 -38.08 7.98 Favored 'General case' 1 N--CA 1.559 4.982 0 C-N-CA 126.342 1.857 . . . . 0.0 113.219 166.349 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -103.23 -36.29 8.14 Favored 'General case' 1 C--N 1.432 4.185 0 C-N-CA 125.885 1.674 . . . . 0.0 112.548 176.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.254 45.7 m-80 -101.42 101.3 16.55 Favored Pre-proline 2 CA--C 1.655 4.999 0 C-N-CA 127.238 2.215 . . . . 0.0 112.641 179.651 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.66 160.46 46.37 Favored 'Trans proline' 3 C--N 1.548 11.06 0 C-N-CA 124.175 3.25 . . . . 0.0 118.223 -176.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . 0.282 71.7 t60 -112.51 -43.1 3.54 Favored 'General case' 1 C--N 1.444 4.683 0 C-N-CA 125.18 1.392 . . . . 0.0 113.193 167.989 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.389 5.4 tp -126.09 23.43 3.21 Favored 'Isoleucine or valine' 1 CA--C 1.665 5.382 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -173.597 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.05 -70.2 0.41 Allowed Glycine 1 C--N 1.407 4.514 0 C-N-CA 125.554 1.55 . . . . 0.0 113.612 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -161.34 17.99 0.11 Allowed 'General case' 2 N--CA 1.572 5.67 0 C-N-CA 129.418 3.087 . . . . 0.0 113.36 -178.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.38 131.46 88.38 Favored Pre-proline 3 CA--C 1.656 5.046 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -170.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -73.93 -18.76 21.34 Favored 'Trans proline' 3 C--N 1.559 11.618 0 C-N-CA 124.442 3.428 . . . . 0.0 119.345 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.2 t -80.5 142.1 34.53 Favored 'General case' 2 N--CA 1.556 4.864 0 C-N-CA 126.792 2.037 . . . . 0.0 113.708 -175.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.278 0.7 OUTLIER -97.87 120.72 47.57 Favored 'Isoleucine or valine' 3 C--N 1.442 4.589 0 C-N-CA 125.844 1.658 . . . . 0.0 109.716 -177.401 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -126.83 149.25 49.8 Favored 'General case' 1 N--CA 1.54 4.068 0 C-N-CA 129.467 3.107 . . . . 0.0 112.002 -170.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -88.14 141.12 14.75 Favored 'Isoleucine or valine' 2 C--N 1.453 5.101 0 C-N-CA 125.93 1.692 . . . . 0.0 109.967 175.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.315 9.6 p -143.44 -29.43 0.52 Allowed 'General case' 1 N--CA 1.554 4.766 0 C-N-CA 127.363 2.265 . . . . 0.0 114.0 -177.837 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.9 tmtt? -121.38 125.05 46.01 Favored 'General case' 1 C--N 1.466 5.659 0 O-C-N 123.917 0.76 . . . . 0.0 111.206 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 1.63 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 43.4 mm -123.87 127.71 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.606 3.1 0 C-N-CA 126.988 2.115 . . . . 0.0 108.012 174.195 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.1 mp -83.74 124.1 75.43 Favored Pre-proline 1 CA--C 1.679 5.921 0 C-N-CA 126.163 1.785 . . . . 0.0 109.672 173.698 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.28 -19.96 66.11 Favored 'Trans proline' 3 C--N 1.54 10.612 0 C-N-CA 124.509 3.473 . . . . 0.0 117.779 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.97 41.23 1.53 Allowed Glycine 1 C--N 1.425 5.515 0 CA-C-O 118.272 -1.293 . . . . 0.0 115.601 176.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.71 -178.02 39.56 Favored Glycine 2 C--N 1.443 6.526 0 C-N-CA 125.333 1.444 . . . . 0.0 115.436 173.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.0 -38.58 27.29 Favored 'General case' 1 N--CA 1.543 4.218 0 C-N-CA 127.932 2.493 . . . . 0.0 116.104 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.44 -25.36 36.19 Favored 'General case' 2 N--CA 1.556 4.855 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 177.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.23 -45.85 11.6 Favored 'General case' 1 C--N 1.453 5.087 0 C-N-CA 127.81 2.444 . . . . 0.0 114.036 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -90.33 -51.45 5.42 Favored 'General case' 1 C--N 1.451 4.999 0 C-N-CA 127.584 2.354 . . . . 0.0 114.938 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.73 -31.37 16.59 Favored 'General case' 1 C--N 1.455 5.165 0 N-CA-C 117.071 2.248 . . . . 0.0 117.071 -174.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.64 -74.16 1.28 Allowed Glycine 2 C--N 1.468 7.892 0 CA-C-O 117.412 -1.771 . . . . 0.0 117.199 -175.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.251 43.8 mtp180 166.25 -23.06 0.0 OUTLIER 'General case' 2 N--CA 1.621 8.086 0 C-N-CA 130.437 3.495 . . . . 0.0 114.019 178.686 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.64 128.5 36.47 Favored 'General case' 1 C--N 1.458 5.301 0 N-CA-C 117.325 2.343 . . . . 0.0 117.325 -163.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.64 153.43 26.38 Favored 'General case' 0 N--CA 1.523 3.196 0 C-N-CA 128.939 2.896 . . . . 0.0 111.068 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.56 -25.63 18.21 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.452 0 C-N-CA 129.794 3.237 . . . . 0.0 116.112 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -91.61 8.47 36.59 Favored 'General case' 1 CA--C 1.664 5.354 0 C-N-CA 128.783 2.833 . . . . 0.0 112.382 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.19 -36.41 24.7 Favored 'General case' 2 C--N 1.488 6.588 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.251 50.7 m 45.44 118.71 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.798 0 C-N-CA 129.279 3.032 . . . . 0.0 116.619 178.45 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 64' ' ' VAL . 6.7 mt -85.53 128.94 38.72 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.267 0 C-N-CA 124.845 1.258 . . . . 0.0 110.716 -174.77 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.25 1.5 pt? -95.92 -42.84 8.1 Favored 'General case' 0 C--N 1.425 3.877 0 O-C-N 125.162 1.539 . . . . 0.0 112.767 169.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -132.35 123.39 26.7 Favored 'General case' 1 C--N 1.451 4.987 0 O-C-N 124.867 1.354 . . . . 0.0 113.125 -176.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.506 ' O ' HG22 ' A' ' 67' ' ' VAL 0.375 2.8 p -120.9 129.71 75.4 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.26 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.348 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t30 74.87 0.53 3.57 Favored 'General case' 2 N--CA 1.627 8.417 0 C-N-CA 128.752 2.821 . . . . 0.0 111.089 -171.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.389 11.8 mm-40 86.57 15.33 0.11 Allowed 'General case' 3 N--CA 1.571 5.591 0 C-N-CA 131.452 3.901 . . . . 0.0 111.845 -161.115 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 64' ' ' VAL 0.353 5.0 m -93.15 155.12 3.16 Favored 'Isoleucine or valine' 1 C--N 1.477 6.12 0 C-N-CA 126.498 1.919 . . . . 0.0 113.05 -177.822 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.438 4.4 p30 -83.75 92.71 7.79 Favored 'General case' 0 C--N 1.403 2.909 0 O-C-N 126.063 2.102 . . . . 0.0 114.544 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.486 30.2 m -89.84 -7.32 10.82 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.273 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 177.251 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.292 17.0 ptm180 -46.97 -25.94 0.9 Allowed 'General case' 2 N--CA 1.582 6.137 0 C-N-CA 128.521 2.728 . . . . 0.0 118.192 178.294 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.12 77.13 1.07 Allowed 'General case' 1 C--N 1.445 4.754 0 C-N-CA 128.562 2.745 . . . . 0.0 107.325 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 18.8 m -142.56 162.68 18.37 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.902 0 C-N-CA 127.166 2.186 . . . . 0.0 110.935 178.586 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 p -78.66 165.23 23.88 Favored 'General case' 1 N--CA 1.572 5.654 0 C-N-CA 126.966 2.106 . . . . 0.0 111.822 166.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.269 54.3 p-80 -51.25 -53.23 37.39 Favored 'General case' 2 N--CA 1.6 7.06 0 C-N-CA 126.371 1.868 . . . . 0.0 114.218 175.532 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -57.71 -38.12 74.7 Favored 'General case' 2 N--CA 1.563 5.199 0 C-N-CA 127.028 2.131 . . . . 0.0 114.084 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.32 -23.0 63.73 Favored 'General case' 1 C--N 1.445 4.74 0 C-N-CA 129.039 2.935 . . . . 0.0 114.39 175.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.62 -33.99 15.63 Favored 'General case' 1 C--N 1.461 5.449 0 C-N-CA 126.75 2.02 . . . . 0.0 113.164 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.81 -42.8 53.96 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.728 0 C-N-CA 127.512 2.325 . . . . 0.0 111.549 177.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.87 -19.12 65.77 Favored 'General case' 1 N--CA 1.571 5.605 0 C-N-CA 128.931 2.892 . . . . 0.0 115.069 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.67 60.4 Favored 'General case' 1 C--N 1.435 4.298 0 C-N-CA 127.789 2.436 . . . . 0.0 112.356 168.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -91.42 -34.89 14.67 Favored 'General case' 2 C--N 1.458 5.317 0 C-N-CA 127.285 2.234 . . . . 0.0 113.261 176.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -78.76 -24.89 44.46 Favored 'General case' 1 C--N 1.431 4.141 0 C-N-CA 127.805 2.442 . . . . 0.0 113.294 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.358 11.1 pt-20 -70.09 -43.0 71.98 Favored 'General case' 2 N--CA 1.575 5.794 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 174.132 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.48 ' HB3' HG23 ' A' ' 88' ' ' VAL . . . -63.01 -23.12 67.3 Favored 'General case' 1 C--N 1.454 5.13 0 C-N-CA 126.051 1.74 . . . . 0.0 114.898 -176.519 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.03 -34.31 1.7 Allowed Glycine 1 C--N 1.423 5.416 0 N-CA-C 121.788 3.475 . . . . 0.0 121.788 170.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -156.67 -30.83 0.09 Allowed 'General case' 0 N--CA 1.535 3.81 0 C-N-CA 127.473 2.309 . . . . 0.0 111.886 -169.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.276 30.3 mm -130.88 99.91 4.42 Favored 'Isoleucine or valine' 2 C--N 1.44 4.516 0 C-N-CA 125.781 1.632 . . . . 0.0 108.236 -173.983 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 84' ' ' ALA 0.313 0.8 OUTLIER -107.0 126.54 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.353 0 O-C-N 125.941 2.026 . . . . 0.0 114.123 -177.23 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.398 37.9 ptt180 -115.51 99.65 7.51 Favored 'General case' 1 N--CA 1.557 4.922 0 C-N-CA 125.997 1.719 . . . . 0.0 115.134 -176.797 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.59 141.01 31.96 Favored 'General case' 0 N--CA 1.529 3.49 0 C-N-CA 128.044 2.538 . . . . 0.0 113.588 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -120.96 113.0 19.47 Favored 'General case' 0 C--O 1.298 3.612 0 C-N-CA 126.81 2.044 . . . . 0.0 111.142 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 33.1 m -107.32 159.36 6.95 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.27 0 O-C-N 126.684 2.49 . . . . 0.0 115.131 -174.546 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.36 0.0 OUTLIER -124.67 119.21 28.34 Favored 'General case' 2 N--CA 1.562 5.154 0 C-N-CA 127.1 2.16 . . . . 0.0 114.748 -176.498 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -126.51 158.61 35.7 Favored 'General case' 0 N--CA 1.538 3.938 0 C-N-CA 128.477 2.711 . . . . 0.0 110.926 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -100.29 152.81 19.87 Favored 'General case' 1 N--CA 1.543 4.223 0 C-N-CA 126.99 2.116 . . . . 0.0 113.918 174.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -84.64 125.37 71.51 Favored Pre-proline 2 CA--C 1.648 4.734 0 C-N-CA 127.014 2.126 . . . . 0.0 114.036 -177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -74.06 139.81 27.42 Favored 'Trans proline' 3 C--N 1.552 11.253 0 C-N-CA 123.611 2.874 . . . . 0.0 116.408 176.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -71.14 137.08 30.75 Favored 'Trans proline' 3 C--N 1.55 11.166 0 C-N-CA 123.779 2.986 . . . . 0.0 116.568 176.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.432 4.178 0 C-N-CA 126.41 1.884 . . . . 0.0 112.801 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.376 9.3 p . . . . . 0 CA--C 1.614 3.406 0 CA-C-O 121.36 0.6 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.301 6.3 m -67.69 -20.97 26.84 Favored 'Isoleucine or valine' 2 N--CA 1.582 6.161 0 C-N-CA 129.05 2.94 . . . . 0.0 116.591 -179.68 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.8 p -136.87 94.9 3.03 Favored 'General case' 1 C--N 1.432 4.182 0 C-N-CA 127.959 2.504 . . . . 0.0 109.935 -174.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -143.92 115.44 8.11 Favored 'General case' 2 C--N 1.44 4.536 0 C-N-CA 124.455 1.102 . . . . 0.0 112.674 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.255 98.1 mtt180 -130.53 86.67 2.41 Favored 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 127.494 2.317 . . . . 0.0 107.691 164.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 1.622 ' CA ' ' CB ' ' B' ' 6' ' ' ILE 0.483 10.8 tp -100.36 -112.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.628 3.961 0 CA-C-N 112.879 -1.964 . . . . 0.0 112.036 -174.555 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.29 79.9 p 42.98 20.65 0.02 OUTLIER 'General case' 3 N--CA 1.621 8.117 0 C-N-CA 128.851 2.86 . . . . 0.0 117.716 -179.021 . . . . . . . . 3 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.551 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 72.4 m -84.48 -165.82 1.28 Allowed 'General case' 2 CA--C 1.642 4.489 0 C-N-CA 129.029 2.931 . . . . 0.0 115.087 -170.773 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 1.538 ' CA ' ' CB ' ' B' ' 9' ' ' VAL 0.262 3.2 t . . . . . 2 C--N 1.449 4.926 0 C-N-CA 126.492 1.917 . . . . 0.0 108.611 -174.767 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.303 10.8 pt-20 . . . . . 1 N--CA 1.55 4.567 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 . . . . . . . . . 2 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -100.08 143.64 30.05 Favored 'General case' 1 N--CA 1.552 4.65 0 C-N-CA 126.085 1.754 . . . . 0.0 113.539 -174.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -129.39 131.42 46.81 Favored 'General case' 2 C--N 1.439 4.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.46 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.296 11.4 pt-20 -104.93 111.59 24.41 Favored 'General case' 0 C--N 1.423 3.761 0 C-N-CA 126.496 1.918 . . . . 0.0 112.465 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -113.63 142.1 27.31 Favored 'Isoleucine or valine' 2 N--CA 1.549 4.478 0 C-N-CA 125.552 1.541 . . . . 0.0 108.756 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 m -117.14 120.96 39.91 Favored 'General case' 0 N--CA 1.536 3.837 0 C-N-CA 125.9 1.68 . . . . 0.0 108.836 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.522 3.146 0 C-N-CA 127.475 2.31 . . . . 0.0 113.758 178.836 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.524 4.56 0 N-CA-C 116.058 1.183 . . . . 0.0 116.058 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -156.22 172.41 18.5 Favored 'General case' 2 C--N 1.434 4.253 0 C-N-CA 128.985 2.914 . . . . 0.0 109.124 176.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 73.7 m -138.86 144.51 39.25 Favored 'General case' 1 C--N 1.445 4.749 0 C-N-CA 125.076 1.35 . . . . 0.0 110.883 168.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.605 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.631 2.0 pp -115.47 127.35 73.08 Favored 'Isoleucine or valine' 2 N--CA 1.553 4.723 0 N-CA-C 119.92 3.304 . . . . 0.0 119.92 -175.15 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.34 117.52 34.22 Favored 'General case' 1 C--N 1.448 4.89 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.12 -178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.84 161.16 26.6 Favored Glycine 0 N--CA 1.512 3.719 0 O-C-N 124.552 1.157 . . . . 0.0 114.699 -174.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.29 162.27 26.29 Favored Glycine 0 C--N 1.397 3.918 0 N-CA-C 117.042 1.577 . . . . 0.0 117.042 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.3 p -104.62 -38.35 6.77 Favored 'General case' 1 N--CA 1.556 4.868 0 C-N-CA 127.098 2.159 . . . . 0.0 111.902 164.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.09 -30.34 9.33 Favored 'General case' 1 C--N 1.436 4.328 0 C-N-CA 126.568 1.947 . . . . 0.0 113.183 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 . . . . . 2 CA--C 1.661 5.231 0 C-N-CA 127.011 2.124 . . . . 0.0 113.101 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 p . . . . . 1 N--CA 1.549 4.507 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.273 1.0 OUTLIER -96.34 119.27 44.18 Favored 'Isoleucine or valine' 3 C--N 1.451 5.013 0 C-N-CA 125.797 1.639 . . . . 0.0 109.611 -178.276 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -121.25 147.13 46.06 Favored 'General case' 1 N--CA 1.542 4.142 0 C-N-CA 129.585 3.154 . . . . 0.0 112.079 -170.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.59 139.64 17.05 Favored 'Isoleucine or valine' 2 C--N 1.45 4.977 0 C-N-CA 125.873 1.669 . . . . 0.0 110.349 176.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.384 13.8 p -145.81 -24.95 0.46 Allowed 'General case' 1 N--CA 1.556 4.86 0 C-N-CA 127.239 2.216 . . . . 0.0 114.239 -179.598 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.1 tmtm? -121.38 125.63 47.43 Favored 'General case' 1 C--N 1.472 5.907 0 CA-C-N 118.439 0.563 . . . . 0.0 111.043 177.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.636 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 43.2 mm -123.92 129.62 74.24 Favored 'Isoleucine or valine' 0 C--N 1.415 3.431 0 C-N-CA 126.867 2.067 . . . . 0.0 108.647 173.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.291 3.2 mp -83.86 131.02 52.98 Favored Pre-proline 2 CA--C 1.678 5.903 0 C-N-CA 126.391 1.877 . . . . 0.0 110.517 172.62 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.96 -21.44 63.83 Favored 'Trans proline' 3 C--N 1.538 10.503 0 C-N-CA 124.168 3.245 . . . . 0.0 117.649 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.58 38.7 1.95 Allowed Glycine 1 C--N 1.429 5.723 0 CA-C-O 117.911 -1.494 . . . . 0.0 116.397 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.53 -178.12 38.37 Favored Glycine 2 C--N 1.444 6.536 0 C-N-CA 124.937 1.256 . . . . 0.0 115.898 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.01 -37.63 28.85 Favored 'General case' 0 N--CA 1.539 3.977 0 C-N-CA 128.472 2.709 . . . . 0.0 115.778 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.42 -23.61 37.43 Favored 'General case' 2 N--CA 1.56 5.037 0 C-N-CA 126.755 2.022 . . . . 0.0 116.069 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.04 -42.89 16.94 Favored 'General case' 1 C--N 1.447 4.825 0 C-N-CA 127.403 2.281 . . . . 0.0 113.242 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -91.24 -57.24 2.86 Favored 'General case' 1 C--N 1.451 4.987 0 C-N-CA 127.309 2.244 . . . . 0.0 115.215 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.71 -33.15 15.88 Favored 'General case' 2 C--N 1.46 5.37 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 -172.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.52 -50.8 3.88 Favored Glycine 2 C--N 1.438 6.225 0 N-CA-C 117.308 1.683 . . . . 0.0 117.308 -173.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.593 99.3 mtt180 91.61 53.0 0.0 OUTLIER 'General case' 2 N--CA 1.574 5.725 0 C-N-CA 130.707 3.603 . . . . 0.0 116.745 -179.31 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.25 129.19 56.05 Favored 'General case' 0 C--N 1.415 3.454 0 C-N-CA 127.712 2.405 . . . . 0.0 111.21 170.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -111.1 154.39 24.34 Favored 'General case' 0 N--CA 1.525 3.321 0 C-N-CA 127.513 2.325 . . . . 0.0 110.794 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.52 -28.87 16.3 Favored 'Isoleucine or valine' 2 N--CA 1.569 5.478 0 C-N-CA 129.476 3.11 . . . . 0.0 115.983 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.283 9.7 p30 -91.13 8.62 34.71 Favored 'General case' 1 CA--C 1.656 5.054 0 C-N-CA 128.613 2.765 . . . . 0.0 113.798 178.612 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 2.0 m-20 -87.64 -31.87 19.55 Favored 'General case' 2 C--N 1.487 6.583 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -179.213 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m 46.84 121.02 0.0 OUTLIER 'General case' 2 N--CA 1.599 6.982 0 C-N-CA 129.098 2.959 . . . . 0.0 116.289 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.481 HG21 HG13 ' A' ' 64' ' ' VAL 0.278 35.1 mt -85.95 131.34 34.72 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.949 0 C-N-CA 124.371 1.068 . . . . 0.0 111.159 -175.441 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.272 1.6 pt? -98.67 -46.91 5.53 Favored 'General case' 0 C--N 1.425 3.871 0 O-C-N 124.975 1.422 . . . . 0.0 112.018 167.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -131.26 134.95 46.92 Favored 'General case' 1 C--N 1.447 4.81 0 O-C-N 125.143 1.527 . . . . 0.0 112.7 -176.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.481 HG13 HG21 ' A' ' 61' ' ' ILE 0.434 0.4 OUTLIER -121.62 141.59 41.43 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.12 0 C-N-CA 124.735 1.214 . . . . 0.0 110.987 172.347 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.5 m120 73.87 -5.3 2.06 Favored 'General case' 2 N--CA 1.606 7.37 0 C-N-CA 127.679 2.391 . . . . 0.0 114.975 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.556 12.7 pt-20 82.48 12.61 0.54 Allowed 'General case' 3 N--CA 1.578 5.958 1 C-N-CA 131.775 4.03 . . . . 0.0 112.043 -156.914 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 64' ' ' VAL 0.276 0.3 OUTLIER -98.43 150.38 4.9 Favored 'Isoleucine or valine' 1 C--N 1.451 4.991 0 C-N-CA 129.593 3.157 . . . . 0.0 111.214 -177.941 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.375 4.3 p-10 -84.61 96.26 9.13 Favored 'General case' 0 C--N 1.407 3.069 0 C-N-CA 127.923 2.489 . . . . 0.0 114.108 -173.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.498 HG22 HG21 ' A' ' 72' ' ' VAL 0.348 0.6 OUTLIER -99.65 -2.59 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.691 0 CA-C-N 111.33 -2.668 . . . . 0.0 113.215 179.292 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -58.0 -21.12 43.26 Favored 'General case' 2 N--CA 1.578 5.949 0 C-N-CA 127.691 2.396 . . . . 0.0 115.609 175.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -155.85 81.41 1.01 Allowed 'General case' 1 C--N 1.457 5.261 0 C-N-CA 129.131 2.972 . . . . 0.0 109.503 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.498 HG21 HG22 ' A' ' 69' ' ' VAL . 35.5 m -146.46 163.35 9.29 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.432 0 C-N-CA 127.982 2.513 . . . . 0.0 109.94 178.709 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 p -76.11 161.94 28.43 Favored 'General case' 1 N--CA 1.563 5.221 0 C-N-CA 125.897 1.679 . . . . 0.0 111.97 164.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -46.22 -56.73 5.31 Favored 'General case' 4 N--CA 1.583 6.217 0 C-N-CA 128.855 2.862 . . . . 0.0 112.287 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.7 p -58.58 -34.76 71.45 Favored 'General case' 2 C--N 1.455 5.181 0 C-N-CA 127.23 2.212 . . . . 0.0 114.382 176.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.47 -23.73 61.09 Favored 'General case' 1 C--N 1.444 4.715 0 C-N-CA 128.807 2.843 . . . . 0.0 114.401 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.81 -29.24 17.69 Favored 'General case' 1 C--N 1.467 5.706 0 C-N-CA 125.949 1.7 . . . . 0.0 113.195 172.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.4 t -73.19 -39.97 57.11 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.762 0 C-N-CA 127.043 2.137 . . . . 0.0 111.199 172.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 7.9 mm-40 -67.69 -16.03 63.94 Favored 'General case' 1 N--CA 1.597 6.88 0 C-N-CA 128.464 2.706 . . . . 0.0 115.512 177.576 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.56 -29.37 52.14 Favored 'General case' 0 CA--C 1.625 3.859 0 C-N-CA 126.629 1.972 . . . . 0.0 111.373 165.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.548 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.269 11.7 mt -92.78 -33.95 14.08 Favored 'General case' 1 C--N 1.459 5.368 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -178.489 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -87.2 -36.47 17.98 Favored 'General case' 1 N--CA 1.54 4.063 0 C-N-CA 127.751 2.421 . . . . 0.0 114.244 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.274 37.3 mt-10 -85.16 -22.42 28.8 Favored 'General case' 2 N--CA 1.588 6.473 0 N-CA-C 119.197 3.036 . . . . 0.0 119.197 -178.045 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -22.18 62.08 Favored 'General case' 3 N--CA 1.583 6.216 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.79 -34.99 5.05 Favored Glycine 1 C--N 1.427 5.628 0 N-CA-C 120.488 2.955 . . . . 0.0 120.488 164.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 t -167.17 -30.39 0.02 OUTLIER 'General case' 1 N--CA 1.555 4.777 0 C-N-CA 127.965 2.506 . . . . 0.0 111.218 -173.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.267 28.4 mm -125.64 122.54 62.59 Favored 'Isoleucine or valine' 1 C--N 1.439 4.469 0 C-N-CA 125.375 1.47 . . . . 0.0 109.812 -177.92 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.391 21.9 m -124.26 118.15 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.916 0 C-N-CA 127.155 2.182 . . . . 0.0 112.176 176.686 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.419 37.9 ptt180 -110.39 100.06 8.97 Favored 'General case' 1 N--CA 1.561 5.112 0 C-N-CA 125.941 1.696 . . . . 0.0 115.005 -175.22 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -96.59 139.27 32.93 Favored 'General case' 0 N--CA 1.533 3.682 0 C-N-CA 128.012 2.525 . . . . 0.0 115.081 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -119.78 112.8 19.71 Favored 'General case' 1 C--O 1.324 5.021 0 C-N-CA 127.051 2.14 . . . . 0.0 111.14 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.263 32.4 m -106.4 158.0 6.66 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.109 0 O-C-N 127.08 2.737 . . . . 0.0 114.91 -176.903 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.29 25.8 ptt? -128.03 115.96 19.28 Favored 'General case' 1 N--CA 1.563 5.216 0 C-N-CA 128.094 2.558 . . . . 0.0 114.09 -176.04 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.343 38.4 ptt180 . . . . . 1 N--CA 1.554 4.743 0 C-N-CA 126.357 1.863 . . . . 0.0 113.247 179.613 . . . . . . . . 2 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.605 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 69.0 m . . . . . 0 CA--C 1.629 3.988 0 CA-C-O 119.594 -0.241 . . . . 0.0 111.439 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.25 3.4 t . . . . . 1 C--N 1.435 4.325 0 C-N-CA 127.157 2.183 . . . . 0.0 109.364 -177.11 . . . . . . . . 2 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.339 10.6 pt-20 . . . . . 1 N--CA 1.549 4.477 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -104.66 145.15 30.75 Favored 'General case' 1 N--CA 1.545 4.313 0 C-N-CA 126.2 1.8 . . . . 0.0 113.358 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -123.47 131.99 53.8 Favored 'General case' 2 N--CA 1.549 4.521 0 C-N-CA 125.6 1.56 . . . . 0.0 114.007 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.299 12.0 pt-20 -108.75 109.04 20.09 Favored 'General case' 0 C--N 1.427 3.952 0 C-N-CA 125.738 1.615 . . . . 0.0 111.874 173.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -114.57 142.42 27.39 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.026 0 O-C-N 124.755 1.284 . . . . 0.0 110.84 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.253 0.8 OUTLIER -113.62 125.93 54.71 Favored 'General case' 2 N--CA 1.55 4.557 0 C-N-CA 127.084 2.153 . . . . 0.0 114.061 173.521 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 N--CA 1.534 3.738 0 C-N-CA 127.362 2.265 . . . . 0.0 113.433 176.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.062 0 N-CA-C 118.163 2.025 . . . . 0.0 118.163 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -161.56 168.86 22.8 Favored 'General case' 3 N--CA 1.543 4.218 0 C-N-CA 128.576 2.75 . . . . 0.0 109.329 169.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.3 m -134.93 144.77 47.65 Favored 'General case' 1 C--N 1.448 4.857 0 C-N-CA 125.463 1.505 . . . . 0.0 110.809 169.409 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.482 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.572 2.2 pp -120.99 129.9 75.23 Favored 'Isoleucine or valine' 2 N--CA 1.576 5.855 0 N-CA-C 120.283 3.438 . . . . 0.0 120.283 -174.083 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.11 119.1 38.25 Favored 'General case' 1 C--N 1.445 4.722 0 CA-C-N 113.492 -1.686 . . . . 0.0 111.856 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.42 162.42 30.65 Favored Glycine 0 C--N 1.394 3.792 0 O-C-N 124.922 1.389 . . . . 0.0 114.734 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.65 132.14 1.55 Allowed Glycine 1 C--N 1.413 4.829 0 N-CA-C 119.094 2.398 . . . . 0.0 119.094 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.315 7.9 p -97.58 -33.58 11.29 Favored 'General case' 1 N--CA 1.561 5.076 0 C-N-CA 125.005 1.322 . . . . 0.0 113.247 161.0 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.43 2.2 p30 -113.01 -29.03 7.48 Favored 'General case' 1 C--N 1.445 4.753 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 174.137 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 2 CA--C 1.649 4.762 0 C-N-CA 126.587 1.955 . . . . 0.0 113.239 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 1 N--CA 1.554 4.731 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.269 0.8 OUTLIER -97.36 120.92 47.31 Favored 'Isoleucine or valine' 3 C--N 1.443 4.661 0 C-N-CA 125.465 1.506 . . . . 0.0 109.696 -178.042 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -125.63 158.85 33.66 Favored 'General case' 3 N--CA 1.547 4.387 0 C-N-CA 127.456 2.302 . . . . 0.0 111.746 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -88.55 142.84 12.34 Favored 'Isoleucine or valine' 1 C--N 1.46 5.4 0 C-N-CA 126.139 1.776 . . . . 0.0 109.449 172.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.304 2.9 p -145.29 -26.5 0.47 Allowed 'General case' 1 N--CA 1.559 5.005 0 C-N-CA 127.554 2.342 . . . . 0.0 113.771 -177.261 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.9 tmtm? -126.33 129.73 49.42 Favored 'General case' 1 C--N 1.468 5.732 0 C-N-CA 123.538 0.735 . . . . 0.0 110.833 178.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.627 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 43.7 mm -124.91 131.21 72.89 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.313 0 C-N-CA 127.142 2.177 . . . . 0.0 108.805 174.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.297 3.7 mp -82.13 131.26 56.96 Favored Pre-proline 2 CA--C 1.678 5.898 0 C-N-CA 125.993 1.717 . . . . 0.0 110.775 171.812 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.94 -22.66 55.43 Favored 'Trans proline' 3 C--N 1.536 10.431 0 C-N-CA 124.228 3.285 . . . . 0.0 117.451 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.7 43.45 1.29 Allowed Glycine 1 C--N 1.429 5.696 0 O-C-N 124.795 1.309 . . . . 0.0 115.625 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.65 -177.84 32.43 Favored Glycine 2 C--N 1.437 6.189 0 C-N-CA 125.514 1.531 . . . . 0.0 115.284 174.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.72 -35.74 33.06 Favored 'General case' 1 N--CA 1.54 4.074 0 C-N-CA 127.711 2.404 . . . . 0.0 115.718 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.05 -25.83 36.8 Favored 'General case' 2 C--N 1.445 4.753 0 C-N-CA 126.792 2.037 . . . . 0.0 116.144 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.39 -42.35 15.79 Favored 'General case' 1 C--N 1.446 4.796 0 C-N-CA 127.272 2.229 . . . . 0.0 113.527 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -90.91 -57.11 2.92 Favored 'General case' 1 C--N 1.449 4.931 0 C-N-CA 127.286 2.234 . . . . 0.0 114.924 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.8 -33.73 15.59 Favored 'General case' 1 C--N 1.46 5.388 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 -173.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.7 -47.46 5.35 Favored Glycine 2 C--N 1.443 6.513 0 N-CA-C 117.343 1.697 . . . . 0.0 117.343 -174.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.56 99.0 mtt180 88.44 52.62 0.01 OUTLIER 'General case' 2 N--CA 1.576 5.873 0 C-N-CA 130.534 3.534 . . . . 0.0 116.218 -178.558 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.09 131.45 55.07 Favored 'General case' 0 C--N 1.417 3.514 0 C-N-CA 127.927 2.491 . . . . 0.0 111.528 171.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.35 156.12 22.05 Favored 'General case' 0 N--CA 1.529 3.518 0 C-N-CA 127.786 2.434 . . . . 0.0 110.463 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 p -57.04 -28.2 28.68 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.083 0 C-N-CA 128.775 2.83 . . . . 0.0 115.583 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -91.88 9.98 30.66 Favored 'General case' 1 CA--C 1.674 5.717 0 C-N-CA 128.889 2.875 . . . . 0.0 112.321 177.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.39 -34.0 18.92 Favored 'General case' 2 C--N 1.487 6.551 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.25 69.5 m 44.83 120.06 0.0 OUTLIER 'General case' 2 N--CA 1.588 6.43 0 C-N-CA 129.41 3.084 . . . . 0.0 116.878 176.387 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mt -84.98 126.46 40.31 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.973 0 C-N-CA 124.666 1.186 . . . . 0.0 110.106 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.26 1.2 pt? -91.38 -46.17 8.17 Favored 'General case' 1 C--N 1.43 4.071 0 C-N-CA 125.443 1.497 . . . . 0.0 111.837 170.691 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -129.08 128.38 43.41 Favored 'General case' 1 C--N 1.449 4.925 0 O-C-N 125.164 1.54 . . . . 0.0 113.257 -177.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.489 HG23 HG11 ' A' ' 69' ' ' VAL 0.253 3.5 t -116.07 130.51 70.67 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.086 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 -179.932 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 72.27 -1.38 2.93 Favored 'General case' 2 N--CA 1.612 7.658 0 C-N-CA 129.306 3.042 . . . . 0.0 114.902 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.396 12.0 mm-40 87.85 7.3 0.2 Allowed 'General case' 3 N--CA 1.579 6.019 0 C-N-CA 130.584 3.554 . . . . 0.0 111.717 -160.236 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.412 27.0 m -94.12 155.6 3.19 Favored 'Isoleucine or valine' 1 C--N 1.469 5.792 0 C-N-CA 127.048 2.139 . . . . 0.0 113.619 178.651 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.268 13.5 t70 -86.02 102.55 13.9 Favored 'General case' 0 C--N 1.42 3.647 0 C-N-CA 127.119 2.168 . . . . 0.0 112.013 -171.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.489 HG11 HG23 ' A' ' 64' ' ' VAL 0.315 1.0 OUTLIER -102.93 -16.75 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.438 0 CA-C-N 110.006 -3.27 . . . . 0.0 114.093 -177.94 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.338 38.7 ptt180 -52.53 -20.04 2.68 Favored 'General case' 2 N--CA 1.578 5.938 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 -179.155 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -149.28 76.85 1.34 Allowed 'General case' 1 C--N 1.436 4.365 0 C-N-CA 129.18 2.992 . . . . 0.0 109.492 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 27.9 m -143.97 167.06 12.75 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.253 0 C-N-CA 127.354 2.262 . . . . 0.0 110.272 177.772 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -79.37 162.76 25.35 Favored 'General case' 1 N--CA 1.562 5.144 0 C-N-CA 126.429 1.892 . . . . 0.0 111.522 166.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.286 56.2 p-80 -51.12 -54.18 27.56 Favored 'General case' 2 N--CA 1.6 7.038 0 C-N-CA 125.393 1.477 . . . . 0.0 114.327 176.839 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 t -61.37 -31.83 71.73 Favored 'General case' 3 N--CA 1.555 4.816 0 C-N-CA 127.232 2.213 . . . . 0.0 113.06 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.88 -23.17 60.69 Favored 'General case' 1 C--N 1.452 5.063 0 C-N-CA 128.278 2.631 . . . . 0.0 113.936 175.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.76 -33.03 15.89 Favored 'General case' 1 C--N 1.465 5.595 0 C-N-CA 126.237 1.815 . . . . 0.0 112.775 173.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.87 -40.46 78.91 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.745 0 C-N-CA 127.777 2.431 . . . . 0.0 111.124 174.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.9 mt-10 -63.33 -20.83 65.84 Favored 'General case' 2 N--CA 1.599 6.994 0 C-N-CA 127.971 2.509 . . . . 0.0 114.986 176.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.29 -28.25 53.33 Favored 'General case' 1 CA--C 1.632 4.097 0 C-N-CA 127.213 2.205 . . . . 0.0 112.396 168.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.49 -34.01 14.26 Favored 'General case' 2 C--N 1.457 5.249 0 C-N-CA 126.568 1.947 . . . . 0.0 114.848 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -85.93 -40.23 16.11 Favored 'General case' 1 N--CA 1.541 4.098 0 C-N-CA 127.276 2.23 . . . . 0.0 114.047 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 40.8 mt-10 -91.01 -5.09 55.82 Favored 'General case' 2 N--CA 1.583 6.189 0 N-CA-C 118.757 2.873 . . . . 0.0 118.757 -177.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.563 ' HB3' HG22 ' A' ' 88' ' ' VAL . . . -58.82 -21.84 57.39 Favored 'General case' 3 N--CA 1.588 6.47 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 178.337 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.26 -35.18 4.58 Favored Glycine 1 C--N 1.428 5.668 0 C-N-CA 126.442 1.972 . . . . 0.0 117.802 167.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.6 p 176.17 -37.71 0.01 OUTLIER 'General case' 2 N--CA 1.567 5.397 0 C-N-CA 130.17 3.388 . . . . 0.0 112.391 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.266 31.5 mm -119.01 113.13 40.53 Favored 'Isoleucine or valine' 0 C--N 1.427 3.945 0 C-N-CA 127.325 2.25 . . . . 0.0 107.901 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 84' ' ' ALA . 94.8 t -113.66 138.13 44.43 Favored 'Isoleucine or valine' 1 CA--C 1.641 4.449 0 C-N-CA 128.512 2.725 . . . . 0.0 108.769 -174.166 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.362 0.0 OUTLIER -120.49 128.13 52.85 Favored 'General case' 1 N--CA 1.545 4.297 0 C-N-CA 126.899 2.08 . . . . 0.0 113.448 176.728 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -119.79 139.97 51.49 Favored 'General case' 0 N--CA 1.536 3.833 0 C-N-CA 127.688 2.395 . . . . 0.0 112.942 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -120.25 110.45 16.59 Favored 'General case' 0 C--O 1.299 3.692 0 C-N-CA 126.326 1.85 . . . . 0.0 111.178 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.258 27.2 m -106.01 160.83 5.64 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.714 0 O-C-N 126.632 2.457 . . . . 0.0 115.272 -175.362 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.284 18.5 ptp -119.92 125.84 49.43 Favored 'General case' 1 N--CA 1.57 5.54 0 C-N-CA 127.481 2.313 . . . . 0.0 114.889 -176.741 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 1 N--CA 1.545 4.291 0 C-N-CA 127.746 2.418 . . . . 0.0 110.907 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.482 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 62.4 m . . . . . 2 N--CA 1.548 4.432 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 2 C--N 1.446 4.776 0 C-N-CA 125.831 1.652 . . . . 0.0 107.803 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.304 10.4 pt-20 . . . . . 1 N--CA 1.548 4.439 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 . . . . . . . . . 2 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.51 145.31 30.21 Favored 'General case' 1 N--CA 1.554 4.763 0 C-N-CA 125.966 1.706 . . . . 0.0 113.913 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -130.9 133.05 45.52 Favored 'General case' 2 C--N 1.444 4.699 0 C-N-CA 124.735 1.214 . . . . 0.0 111.615 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.291 11.5 pt-20 -106.46 112.86 26.05 Favored 'General case' 0 C--N 1.427 3.955 0 C-N-CA 126.378 1.871 . . . . 0.0 112.682 174.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -114.53 146.52 18.91 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.121 0 C-N-CA 125.346 1.458 . . . . 0.0 109.675 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.481 HG23 ' HB3' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -119.87 127.73 53.0 Favored 'General case' 2 N--CA 1.547 4.385 0 C-N-CA 126.291 1.837 . . . . 0.0 109.932 177.575 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 1 N--CA 1.541 4.101 0 C-N-CA 127.997 2.519 . . . . 0.0 113.868 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.537 5.38 0 N-CA-C 119.502 2.561 . . . . 0.0 119.502 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -156.45 172.66 18.13 Favored 'General case' 3 N--CA 1.548 4.472 0 C-N-CA 127.617 2.367 . . . . 0.0 109.92 176.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.508 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.2 m -137.5 142.99 41.48 Favored 'General case' 1 C--N 1.446 4.795 0 C-N-CA 125.491 1.516 . . . . 0.0 110.316 168.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.514 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.578 2.0 pp -119.28 131.79 70.95 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.396 0 N-CA-C 120.693 3.59 . . . . 0.0 120.693 -174.211 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.02 117.85 35.27 Favored 'General case' 1 C--N 1.446 4.787 0 CA-C-N 113.251 -1.795 . . . . 0.0 110.296 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.28 154.21 25.28 Favored Glycine 0 N--CA 1.515 3.949 0 C-N-CA 125.405 1.478 . . . . 0.0 113.61 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.3 142.61 4.37 Favored Glycine 1 C--N 1.411 4.703 0 N-CA-C 119.206 2.442 . . . . 0.0 119.206 -172.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 p -104.75 -41.22 5.72 Favored 'General case' 1 N--CA 1.553 4.71 0 C-N-CA 126.591 1.956 . . . . 0.0 112.476 163.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.99 -30.98 9.94 Favored 'General case' 1 C--N 1.434 4.254 0 C-N-CA 126.582 1.953 . . . . 0.0 113.308 177.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 2 CA--C 1.655 4.997 0 C-N-CA 127.077 2.151 . . . . 0.0 112.546 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.7 m . . . . . 1 N--CA 1.558 4.968 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.306 0.6 OUTLIER -93.04 113.87 28.75 Favored 'Isoleucine or valine' 3 C--N 1.455 5.195 0 C-N-CA 125.23 1.412 . . . . 0.0 109.694 -178.121 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -122.76 144.87 48.88 Favored 'General case' 0 C--O 1.303 3.909 0 C-N-CA 129.636 3.175 . . . . 0.0 111.848 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -87.55 141.15 14.72 Favored 'Isoleucine or valine' 2 C--N 1.445 4.718 0 C-N-CA 126.049 1.74 . . . . 0.0 110.196 176.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.311 5.7 p -144.79 -28.16 0.48 Allowed 'General case' 1 N--CA 1.553 4.693 0 C-N-CA 127.316 2.246 . . . . 0.0 114.14 -176.512 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 10.5 tmtt? -125.19 126.26 44.95 Favored 'General case' 1 C--N 1.471 5.864 0 O-C-N 123.652 0.595 . . . . 0.0 111.006 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.644 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.276 44.1 mm -123.5 128.68 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.259 0 C-N-CA 127.002 2.121 . . . . 0.0 108.438 175.083 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.303 3.2 mp -83.42 130.73 55.23 Favored Pre-proline 2 CA--C 1.681 6.003 0 C-N-CA 126.156 1.783 . . . . 0.0 110.924 174.597 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.81 -23.22 69.01 Favored 'Trans proline' 3 C--N 1.54 10.644 0 C-N-CA 124.439 3.426 . . . . 0.0 117.562 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.47 41.89 1.47 Allowed Glycine 1 C--N 1.43 5.76 0 CA-C-O 118.234 -1.315 . . . . 0.0 115.651 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.67 -177.49 33.9 Favored Glycine 2 C--N 1.439 6.258 0 C-N-CA 125.491 1.52 . . . . 0.0 115.587 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.67 -36.26 32.63 Favored 'General case' 1 N--CA 1.543 4.186 0 C-N-CA 127.726 2.411 . . . . 0.0 115.814 -177.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.28 -25.42 36.55 Favored 'General case' 2 C--N 1.442 4.602 0 C-N-CA 126.861 2.064 . . . . 0.0 116.146 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 -42.23 15.77 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 127.186 2.195 . . . . 0.0 113.537 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -90.94 -56.71 3.07 Favored 'General case' 2 C--N 1.448 4.883 0 C-N-CA 127.233 2.213 . . . . 0.0 115.005 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.79 -34.22 15.4 Favored 'General case' 1 C--N 1.459 5.338 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 -172.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.77 -52.41 3.15 Favored Glycine 2 C--N 1.443 6.475 0 N-CA-C 117.369 1.708 . . . . 0.0 117.369 -173.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.571 99.3 mtt180 92.73 55.2 0.0 OUTLIER 'General case' 2 N--CA 1.576 5.832 0 C-N-CA 130.796 3.638 . . . . 0.0 116.338 -178.476 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.01 131.34 55.13 Favored 'General case' 0 C--N 1.417 3.518 0 C-N-CA 127.919 2.488 . . . . 0.0 111.057 171.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -111.21 153.64 25.54 Favored 'General case' 0 N--CA 1.525 3.278 0 C-N-CA 127.482 2.313 . . . . 0.0 110.498 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -55.98 -28.31 24.45 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.005 0 C-N-CA 129.147 2.979 . . . . 0.0 115.929 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.94 9.94 30.93 Favored 'General case' 1 CA--C 1.671 5.601 0 C-N-CA 128.924 2.889 . . . . 0.0 112.194 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.272 1.6 m-20 -88.01 -32.28 18.89 Favored 'General case' 2 C--N 1.489 6.661 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -179.762 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 m 43.95 120.18 0.0 OUTLIER 'General case' 2 N--CA 1.599 6.98 0 C-N-CA 129.089 2.955 . . . . 0.0 116.733 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.575 HG21 HG23 ' A' ' 64' ' ' VAL . 8.3 mt -85.41 130.23 36.6 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.027 0 C-N-CA 124.709 1.203 . . . . 0.0 110.723 -174.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.258 1.5 pt? -96.11 -45.92 6.68 Favored 'General case' 1 C--N 1.431 4.144 0 O-C-N 125.134 1.521 . . . . 0.0 112.463 169.776 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -132.31 130.57 40.99 Favored 'General case' 1 C--N 1.45 4.959 0 O-C-N 125.081 1.488 . . . . 0.0 112.698 -175.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.575 HG23 HG21 ' A' ' 61' ' ' ILE 0.398 0.4 OUTLIER -120.52 140.97 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.639 0 O-C-N 123.795 0.685 . . . . 0.0 112.822 179.58 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.281 4.9 m-20 71.64 -75.56 0.07 Allowed 'General case' 1 N--CA 1.586 6.369 0 C-N-CA 127.949 2.5 . . . . 0.0 111.627 -175.935 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -159.0 7.89 0.11 Allowed 'General case' 2 CA--C 1.637 4.314 1 C-N-CA 133.259 4.624 . . . . 0.0 108.232 171.129 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.344 27.6 m -105.11 157.34 5.99 Favored 'Isoleucine or valine' 1 C--N 1.463 5.518 0 C-N-CA 126.668 1.987 . . . . 0.0 115.78 -165.104 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.371 4.3 p-10 -88.15 94.93 9.97 Favored 'General case' 0 C--N 1.417 3.515 0 C-N-CA 127.817 2.447 . . . . 0.0 113.121 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.452 21.7 m -87.62 -8.42 10.98 Favored 'Isoleucine or valine' 1 N--CA 1.562 5.139 0 CA-C-N 113.156 -1.838 . . . . 0.0 114.637 174.457 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -48.95 -26.86 2.73 Favored 'General case' 2 N--CA 1.594 6.757 0 C-N-CA 128.229 2.612 . . . . 0.0 116.177 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -148.14 78.96 1.45 Allowed 'General case' 1 C--N 1.448 4.887 0 C-N-CA 130.064 3.345 . . . . 0.0 109.523 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.589 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.275 19.2 m -141.2 165.32 19.33 Favored 'Isoleucine or valine' 1 N--CA 1.566 5.35 0 C-N-CA 126.543 1.937 . . . . 0.0 109.147 174.4 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 p -79.7 165.35 22.93 Favored 'General case' 1 N--CA 1.557 4.911 0 C-N-CA 127.808 2.443 . . . . 0.0 111.198 168.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -49.59 -54.84 15.99 Favored 'General case' 3 N--CA 1.579 5.994 0 C-N-CA 128.304 2.642 . . . . 0.0 111.537 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 t -64.14 -27.5 69.12 Favored 'General case' 1 C--N 1.451 5.007 0 C-N-CA 126.872 2.069 . . . . 0.0 113.399 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.66 -19.68 48.49 Favored 'General case' 1 C--N 1.476 6.106 0 C-N-CA 126.294 1.838 . . . . 0.0 112.695 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.09 -34.3 16.8 Favored 'General case' 1 C--N 1.465 5.625 0 C-N-CA 126.774 2.03 . . . . 0.0 112.914 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -74.88 -42.23 46.54 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.834 0 C-N-CA 126.903 2.081 . . . . 0.0 111.187 175.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.8 mt-10 -63.88 -22.89 67.13 Favored 'General case' 2 N--CA 1.607 7.419 0 C-N-CA 127.89 2.476 . . . . 0.0 115.079 178.259 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.47 -28.05 56.36 Favored 'General case' 0 CA--C 1.627 3.918 0 C-N-CA 126.825 2.05 . . . . 0.0 112.143 168.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 mt -92.99 -29.48 15.82 Favored 'General case' 1 C--N 1.463 5.506 0 C-N-CA 126.714 2.006 . . . . 0.0 115.543 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -88.0 -41.98 12.75 Favored 'General case' 1 N--CA 1.541 4.095 0 C-N-CA 127.227 2.211 . . . . 0.0 113.416 175.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.251 41.3 mt-10 -91.53 3.19 55.6 Favored 'General case' 2 N--CA 1.586 6.36 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -178.332 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.493 ' HB3' HG22 ' A' ' 88' ' ' VAL . . . -62.6 -25.65 68.2 Favored 'General case' 2 N--CA 1.586 6.357 0 C-N-CA 125.094 1.358 . . . . 0.0 114.257 175.279 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.94 -34.47 5.08 Favored Glycine 1 C--N 1.424 5.419 0 C-N-CA 126.972 2.225 . . . . 0.0 118.155 166.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.4 m 178.04 -31.68 0.01 OUTLIER 'General case' 1 N--CA 1.576 5.869 0 C-N-CA 130.139 3.376 . . . . 0.0 111.52 -173.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.267 31.0 mm -124.49 120.08 58.09 Favored 'Isoleucine or valine' 1 C--N 1.442 4.602 0 C-N-CA 126.792 2.037 . . . . 0.0 108.626 -177.012 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.493 HG22 ' HB3' ' A' ' 84' ' ' ALA . 33.2 t -121.44 121.63 65.13 Favored 'Isoleucine or valine' 0 CA--C 1.625 3.829 0 C-N-CA 127.585 2.354 . . . . 0.0 106.967 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.481 ' HB3' HG23 ' A' ' 11' ' ' THR 0.406 35.7 ptt180 -118.95 107.45 13.57 Favored 'General case' 1 N--CA 1.563 5.21 0 C-N-CA 126.424 1.89 . . . . 0.0 114.655 -176.579 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 pp -100.29 141.52 33.01 Favored 'General case' 0 N--CA 1.537 3.902 0 C-N-CA 127.97 2.508 . . . . 0.0 114.987 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -119.07 111.96 18.95 Favored 'General case' 1 C--O 1.308 4.177 0 C-N-CA 126.715 2.006 . . . . 0.0 110.959 177.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.254 33.8 m -105.97 159.43 6.03 Favored 'Isoleucine or valine' 2 N--CA 1.569 5.475 0 O-C-N 126.656 2.472 . . . . 0.0 115.089 -175.884 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 3.8 ppp? -125.47 117.57 23.93 Favored 'General case' 1 N--CA 1.557 4.899 0 C-N-CA 127.769 2.428 . . . . 0.0 114.261 -176.291 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.349 37.9 ptt180 . . . . . 1 N--CA 1.546 4.363 0 C-N-CA 126.362 1.865 . . . . 0.0 113.008 179.124 . . . . . . . . 2 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.514 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 60.2 m . . . . . 2 N--CA 1.548 4.446 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 2 C--N 1.438 4.446 0 C-N-CA 127.189 2.195 . . . . 0.0 109.704 -173.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 . . . . . 1 N--CA 1.542 4.168 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -104.38 141.81 35.69 Favored 'General case' 1 N--CA 1.539 4.008 0 C-N-CA 126.845 2.058 . . . . 0.0 112.57 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -127.37 133.6 50.02 Favored 'General case' 1 N--CA 1.544 4.241 0 C-N-CA 124.856 1.263 . . . . 0.0 111.092 -176.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.291 11.7 pt-20 -106.74 112.61 25.67 Favored 'General case' 0 C--N 1.421 3.697 0 C-N-CA 126.492 1.917 . . . . 0.0 112.323 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.11 141.46 25.36 Favored 'Isoleucine or valine' 2 N--CA 1.556 4.844 0 C-N-CA 124.93 1.292 . . . . 0.0 109.969 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -114.4 122.58 47.08 Favored 'General case' 0 N--CA 1.536 3.837 0 C-N-CA 126.471 1.908 . . . . 0.0 112.926 171.032 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 N--CA 1.523 3.178 0 C-N-CA 126.755 2.022 . . . . 0.0 112.057 175.825 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.359 0 N-CA-C 117.592 1.797 . . . . 0.0 117.592 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -155.81 165.19 37.26 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 127.568 2.347 . . . . 0.0 110.401 176.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 72.1 m -132.37 142.44 49.31 Favored 'General case' 1 C--N 1.451 5.018 0 C-N-CA 125.497 1.519 . . . . 0.0 110.812 171.336 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.419 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.549 2.2 pp -119.67 124.57 73.12 Favored 'Isoleucine or valine' 2 N--CA 1.581 6.116 0 N-CA-C 119.963 3.32 . . . . 0.0 119.963 -174.753 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.42 117.93 35.61 Favored 'General case' 1 C--N 1.433 4.232 0 CA-C-N 113.373 -1.74 . . . . 0.0 111.391 -177.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.94 159.56 32.69 Favored Glycine 0 N--CA 1.508 3.452 0 C-N-CA 125.633 1.587 . . . . 0.0 113.673 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.81 145.92 5.7 Favored Glycine 1 C--N 1.401 4.163 0 N-CA-C 118.969 2.348 . . . . 0.0 118.969 -172.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.306 7.1 p -100.49 -36.48 9.18 Favored 'General case' 1 N--CA 1.554 4.733 0 C-N-CA 125.765 1.626 . . . . 0.0 113.237 163.583 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.431 2.0 p30 -110.47 -29.03 8.26 Favored 'General case' 1 C--N 1.444 4.713 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 173.814 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 . . . . . 2 CA--C 1.654 4.977 0 C-N-CA 126.566 1.947 . . . . 0.0 112.449 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.3 m . . . . . 1 N--CA 1.546 4.33 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.292 0.9 OUTLIER -90.93 124.3 43.44 Favored 'Isoleucine or valine' 3 N--CA 1.549 4.496 0 C-N-CA 125.392 1.477 . . . . 0.0 110.584 -174.007 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -121.41 153.27 38.06 Favored 'General case' 1 N--CA 1.544 4.268 0 C-N-CA 127.964 2.506 . . . . 0.0 111.987 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -87.97 144.25 9.59 Favored 'Isoleucine or valine' 2 C--N 1.449 4.918 0 C-N-CA 125.947 1.699 . . . . 0.0 109.104 169.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.45 11.1 t -147.88 -25.77 0.36 Allowed 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 126.632 1.973 . . . . 0.0 113.721 -179.594 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 9.7 tmtt? -125.04 124.09 41.21 Favored 'General case' 1 C--N 1.462 5.493 0 O-C-N 124.015 0.822 . . . . 0.0 111.238 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.605 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 43.6 mm -121.94 129.51 75.36 Favored 'Isoleucine or valine' 0 C--N 1.41 3.199 0 C-N-CA 127.083 2.153 . . . . 0.0 108.063 173.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.298 3.2 mp -84.31 129.17 59.04 Favored Pre-proline 1 CA--C 1.68 5.976 0 C-N-CA 126.29 1.836 . . . . 0.0 110.408 174.446 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.92 -21.84 73.43 Favored 'Trans proline' 3 C--N 1.54 10.638 0 C-N-CA 124.464 3.443 . . . . 0.0 117.756 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.58 40.5 1.65 Allowed Glycine 1 C--N 1.428 5.69 0 CA-C-O 118.172 -1.349 . . . . 0.0 115.81 177.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.15 -177.84 36.07 Favored Glycine 2 C--N 1.442 6.446 0 C-N-CA 125.335 1.445 . . . . 0.0 115.713 173.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.79 -35.16 33.46 Favored 'General case' 1 N--CA 1.545 4.303 0 C-N-CA 127.571 2.348 . . . . 0.0 116.332 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.65 -25.41 35.63 Favored 'General case' 2 N--CA 1.556 4.863 0 C-N-CA 126.998 2.119 . . . . 0.0 115.989 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.47 -45.04 11.5 Favored 'General case' 1 C--N 1.449 4.901 0 C-N-CA 127.675 2.39 . . . . 0.0 113.868 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -51.02 5.61 Favored 'General case' 1 C--N 1.448 4.879 0 C-N-CA 127.383 2.273 . . . . 0.0 114.64 178.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.77 -31.94 16.32 Favored 'General case' 1 C--N 1.456 5.23 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -175.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.3 -74.18 1.28 Allowed Glycine 2 C--N 1.463 7.613 0 CA-C-O 117.45 -1.75 . . . . 0.0 117.167 -173.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 161.64 -22.02 0.0 OUTLIER 'General case' 2 N--CA 1.628 8.433 0 C-N-CA 130.917 3.687 . . . . 0.0 113.621 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.67 127.45 32.8 Favored 'General case' 1 C--N 1.452 5.053 0 N-CA-C 117.738 2.495 . . . . 0.0 117.738 -163.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.26 158.64 19.47 Favored 'General case' 0 N--CA 1.533 3.689 0 C-N-CA 129.097 2.959 . . . . 0.0 111.01 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.568 HG13 HG12 ' A' ' 43' ' ' ILE 0.259 2.5 m -53.09 -28.49 14.47 Favored 'Isoleucine or valine' 1 N--CA 1.633 8.711 0 C-N-CA 128.003 2.521 . . . . 0.0 116.125 174.906 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -90.05 7.59 36.92 Favored 'General case' 1 CA--C 1.664 5.33 0 C-N-CA 128.959 2.904 . . . . 0.0 112.051 -177.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.48 -39.6 16.12 Favored 'General case' 2 C--N 1.487 6.586 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 177.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.26 22.9 t 45.41 119.3 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.761 0 C-N-CA 129.432 3.093 . . . . 0.0 115.855 178.865 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.52 HG21 HG23 ' A' ' 64' ' ' VAL . 5.7 mt -85.72 127.5 40.06 Favored 'Isoleucine or valine' 1 N--CA 1.565 5.298 0 C-N-CA 124.861 1.264 . . . . 0.0 110.306 -176.528 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.4 pt? -94.23 -43.13 8.59 Favored 'General case' 0 C--N 1.421 3.701 0 O-C-N 125.127 1.517 . . . . 0.0 112.924 169.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -133.21 127.11 33.05 Favored 'General case' 2 C--N 1.449 4.904 0 O-C-N 124.862 1.351 . . . . 0.0 113.356 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.747 ' O ' ' HB ' ' A' ' 67' ' ' VAL 0.313 3.5 p -120.8 125.74 74.42 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.083 0 CA-C-O 118.952 -0.547 . . . . 0.0 112.328 179.946 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.263 46.1 m-80 78.96 -5.21 2.03 Favored 'General case' 2 N--CA 1.623 8.18 0 C-N-CA 129.083 2.953 . . . . 0.0 114.191 -166.736 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.327 5.8 tp10 86.53 23.97 0.06 Allowed 'General case' 3 N--CA 1.591 6.607 0 C-N-CA 131.547 3.939 . . . . 0.0 108.837 -159.579 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 64' ' ' VAL . 1.2 t -97.57 145.75 8.83 Favored 'Isoleucine or valine' 1 C--N 1.446 4.785 0 C-N-CA 129.766 3.226 . . . . 0.0 110.522 -178.36 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.436 4.4 p-10 -82.61 93.79 7.4 Favored 'General case' 0 C--N 1.405 3.0 0 O-C-N 125.682 1.864 . . . . 0.0 114.941 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.46 26.2 m -90.49 -8.6 10.6 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.947 0 CA-C-N 113.374 -1.739 . . . . 0.0 115.666 176.361 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -46.46 -26.15 0.8 Allowed 'General case' 2 N--CA 1.596 6.832 0 C-N-CA 128.203 2.601 . . . . 0.0 117.18 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -152.29 80.11 1.24 Allowed 'General case' 1 C--N 1.456 5.206 0 C-N-CA 129.739 3.216 . . . . 0.0 108.823 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.565 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.273 19.2 m -143.83 162.2 15.78 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.699 0 C-N-CA 127.062 2.145 . . . . 0.0 110.295 178.013 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -77.4 164.59 25.34 Favored 'General case' 1 N--CA 1.576 5.835 0 C-N-CA 126.461 1.904 . . . . 0.0 111.626 167.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.34 9.2 p-80 -53.64 -52.38 60.1 Favored 'General case' 2 N--CA 1.593 6.714 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 176.627 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -58.97 -34.76 72.18 Favored 'General case' 2 N--CA 1.571 5.602 0 C-N-CA 127.101 2.16 . . . . 0.0 113.883 176.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.77 -22.88 62.33 Favored 'General case' 1 C--N 1.454 5.147 0 C-N-CA 128.682 2.793 . . . . 0.0 114.073 175.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -35.84 14.88 Favored 'General case' 1 C--N 1.461 5.43 0 C-N-CA 126.666 1.986 . . . . 0.0 112.292 174.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.4 t -70.69 -40.61 77.15 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.532 0 C-N-CA 127.816 2.446 . . . . 0.0 111.869 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.3 mt-10 -64.2 -16.67 62.44 Favored 'General case' 1 N--CA 1.597 6.881 0 C-N-CA 127.954 2.501 . . . . 0.0 115.042 177.186 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.74 -29.51 32.86 Favored 'General case' 1 CA--C 1.634 4.181 0 C-N-CA 126.764 2.025 . . . . 0.0 112.439 167.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.33 -32.91 14.81 Favored 'General case' 2 C--N 1.459 5.335 0 N-CA-C 116.242 1.942 . . . . 0.0 116.242 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -86.91 -39.8 15.44 Favored 'General case' 0 N--CA 1.533 3.705 0 C-N-CA 127.508 2.323 . . . . 0.0 113.895 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.273 40.7 mt-10 -91.05 -11.57 38.34 Favored 'General case' 2 N--CA 1.58 6.063 0 N-CA-C 119.886 3.291 . . . . 0.0 119.886 -175.817 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.99 -24.0 56.36 Favored 'General case' 3 N--CA 1.598 6.929 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.09 -34.59 5.24 Favored Glycine 1 C--N 1.423 5.383 0 N-CA-C 119.651 2.62 . . . . 0.0 119.651 164.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 m -172.06 -34.32 0.01 OUTLIER 'General case' 1 N--CA 1.565 5.31 0 C-N-CA 129.102 2.961 . . . . 0.0 111.621 -172.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.261 23.6 mm -124.73 125.26 69.62 Favored 'Isoleucine or valine' 1 C--N 1.442 4.621 0 C-N-CA 126.168 1.787 . . . . 0.0 109.33 -176.741 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.368 18.9 m -122.79 121.98 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.931 0 C-N-CA 127.475 2.31 . . . . 0.0 112.462 176.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.378 36.9 ptt180 -113.26 98.88 7.4 Favored 'General case' 1 N--CA 1.549 4.517 0 C-N-CA 126.075 1.75 . . . . 0.0 114.369 -178.561 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.34 137.28 32.8 Favored 'General case' 0 N--CA 1.527 3.389 0 C-N-CA 127.494 2.318 . . . . 0.0 113.637 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -117.87 112.26 20.12 Favored 'General case' 0 C--O 1.299 3.658 0 C-N-CA 126.443 1.897 . . . . 0.0 111.15 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.6 m -106.7 159.92 6.31 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.067 0 O-C-N 127.0 2.688 . . . . 0.0 115.466 -174.753 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 4.0 ppp? -123.16 116.62 23.74 Favored 'General case' 1 N--CA 1.566 5.333 0 C-N-CA 127.717 2.407 . . . . 0.0 114.08 -176.106 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 . . . . . 0 N--CA 1.533 3.684 0 C-N-CA 128.075 2.55 . . . . 0.0 111.313 179.43 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.419 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 50.7 m . . . . . 1 CA--C 1.635 4.225 0 N-CA-C 114.73 1.382 . . . . 0.0 114.73 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 2 C--N 1.45 4.978 0 C-N-CA 126.368 1.867 . . . . 0.0 107.537 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.393 11.2 pt-20 . . . . . 1 N--CA 1.546 4.354 0 N-CA-C 114.526 1.306 . . . . 0.0 114.526 . . . . . . . . . 2 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.18 142.74 32.18 Favored 'General case' 0 N--CA 1.535 3.815 0 C-N-CA 126.614 1.966 . . . . 0.0 113.172 -176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -122.74 129.83 52.22 Favored 'General case' 1 N--CA 1.544 4.228 0 C-N-CA 125.465 1.506 . . . . 0.0 114.186 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.28 10.9 pt-20 -107.11 108.75 20.37 Favored 'General case' 0 C--N 1.421 3.684 0 C-N-CA 126.072 1.749 . . . . 0.0 111.841 174.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -116.54 133.72 62.27 Favored 'Isoleucine or valine' 2 N--CA 1.55 4.555 0 O-C-N 124.769 1.293 . . . . 0.0 111.179 -177.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.24 125.85 51.66 Favored 'General case' 1 N--CA 1.549 4.523 0 C-N-CA 127.89 2.476 . . . . 0.0 113.997 171.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 1 N--CA 1.54 4.06 0 C-N-CA 127.817 2.447 . . . . 0.0 112.065 174.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.48 0 N-CA-C 115.961 1.144 . . . . 0.0 115.961 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -159.55 167.19 29.16 Favored 'General case' 1 CA--C 1.629 4.014 0 C-N-CA 129.571 3.148 . . . . 0.0 108.466 169.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.497 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.5 m -134.72 139.41 45.18 Favored 'General case' 1 C--N 1.455 5.18 0 CA-C-N 119.227 0.922 . . . . 0.0 111.297 166.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.477 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.447 2.0 pp -114.47 129.68 70.1 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.688 0 N-CA-C 118.829 2.899 . . . . 0.0 118.829 -172.877 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.72 118.04 36.03 Favored 'General case' 1 C--N 1.431 4.141 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.192 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.5 156.66 24.77 Favored Glycine 0 C--O 1.293 3.835 0 C-N-CA 125.896 1.712 . . . . 0.0 113.324 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.88 124.59 0.86 Allowed Glycine 1 C--N 1.42 5.211 0 N-CA-C 121.143 3.217 . . . . 0.0 121.143 -175.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.253 6.9 p -102.41 -34.34 9.2 Favored 'General case' 1 N--CA 1.548 4.443 0 O-C-N 126.356 1.856 . . . . 0.0 112.252 160.6 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -107.51 -36.2 6.54 Favored 'General case' 1 C--N 1.439 4.483 0 C-N-CA 125.73 1.612 . . . . 0.0 112.719 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.5 m120 . . . . . 2 C--N 1.447 4.824 0 C-N-CA 126.851 2.06 . . . . 0.0 113.697 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 p . . . . . 1 N--CA 1.556 4.836 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.619 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.313 0.8 OUTLIER -90.44 113.13 25.92 Favored 'Isoleucine or valine' 3 C--N 1.455 5.185 0 C-N-CA 125.53 1.532 . . . . 0.0 109.983 -177.646 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -120.53 145.78 46.97 Favored 'General case' 0 N--CA 1.534 3.734 0 C-N-CA 129.165 2.986 . . . . 0.0 111.576 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mm -87.18 144.91 8.32 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.94 0 C-N-CA 126.148 1.779 . . . . 0.0 111.376 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.387 15.1 t -142.73 -33.38 0.46 Allowed 'General case' 1 N--CA 1.548 4.454 0 C-N-CA 126.528 1.931 . . . . 0.0 112.889 175.77 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.274 53.8 tptt -113.41 126.71 55.65 Favored 'General case' 1 C--N 1.459 5.341 0 O-C-N 124.442 1.089 . . . . 0.0 112.657 -179.05 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.628 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.272 37.9 mm -127.12 121.83 58.68 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.488 0 C-N-CA 127.329 2.252 . . . . 0.0 107.715 172.008 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.8 mp -79.09 134.0 60.25 Favored Pre-proline 2 CA--C 1.682 6.049 0 C-N-CA 126.523 1.929 . . . . 0.0 110.735 172.255 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.48 -20.48 60.85 Favored 'Trans proline' 3 C--N 1.535 10.352 0 C-N-CA 124.24 3.293 . . . . 0.0 117.731 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.71 43.23 1.31 Allowed Glycine 1 C--N 1.43 5.794 0 CA-C-O 118.178 -1.345 . . . . 0.0 116.308 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.46 -178.1 32.68 Favored Glycine 2 C--N 1.438 6.204 0 C-N-CA 125.168 1.365 . . . . 0.0 115.171 172.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.03 -37.53 28.97 Favored 'General case' 1 N--CA 1.54 4.071 0 C-N-CA 127.746 2.418 . . . . 0.0 115.503 -178.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.81 -22.59 39.88 Favored 'General case' 2 C--N 1.445 4.725 0 C-N-CA 126.807 2.043 . . . . 0.0 115.853 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.87 -42.06 13.53 Favored 'General case' 1 C--N 1.446 4.788 0 C-N-CA 127.121 2.168 . . . . 0.0 113.69 177.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -90.63 -55.32 3.62 Favored 'General case' 1 C--N 1.447 4.838 0 C-N-CA 127.106 2.162 . . . . 0.0 114.62 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.06 -32.25 15.96 Favored 'General case' 1 C--N 1.459 5.333 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -175.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.24 -47.31 4.72 Favored Glycine 2 C--N 1.443 6.499 0 N-CA-C 117.876 1.91 . . . . 0.0 117.876 -173.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.534 99.3 mtt180 87.05 52.13 0.01 OUTLIER 'General case' 2 N--CA 1.58 6.068 0 C-N-CA 130.357 3.463 . . . . 0.0 115.977 -178.36 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.89 127.05 55.31 Favored 'General case' 0 C--N 1.418 3.553 0 C-N-CA 127.944 2.497 . . . . 0.0 112.31 171.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -111.84 161.93 15.83 Favored 'General case' 0 N--CA 1.536 3.841 0 C-N-CA 128.392 2.677 . . . . 0.0 110.683 171.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 43' ' ' ILE 0.277 2.9 m -52.82 -29.86 14.95 Favored 'Isoleucine or valine' 1 N--CA 1.63 8.558 0 C-N-CA 127.794 2.437 . . . . 0.0 116.174 175.284 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -90.43 7.96 36.11 Favored 'General case' 1 CA--C 1.668 5.505 0 C-N-CA 129.11 2.964 . . . . 0.0 112.046 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 1.9 m-20 -88.94 -36.06 16.11 Favored 'General case' 2 C--N 1.485 6.496 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 178.752 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.4 m 45.43 118.78 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.824 0 C-N-CA 128.559 2.744 . . . . 0.0 116.578 177.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mt -86.39 126.65 40.69 Favored 'Isoleucine or valine' 1 N--CA 1.561 5.123 0 C-N-CA 124.714 1.206 . . . . 0.0 110.216 -175.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.257 1.5 pt? -92.17 -44.6 8.7 Favored 'General case' 1 C--N 1.431 4.128 0 O-C-N 124.817 1.323 . . . . 0.0 112.434 170.764 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -131.79 134.25 45.62 Favored 'General case' 2 C--N 1.447 4.834 0 O-C-N 125.1 1.5 . . . . 0.0 113.201 -176.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.297 14.3 t -116.36 137.28 50.63 Favored 'Isoleucine or valine' 1 N--CA 1.575 5.822 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.455 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.316 11.1 m120 76.0 -79.86 0.04 OUTLIER 'General case' 2 N--CA 1.586 6.372 0 C-N-CA 128.902 2.881 . . . . 0.0 111.602 -176.751 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -160.08 8.66 0.1 Allowed 'General case' 2 CA--C 1.637 4.297 1 C-N-CA 134.83 5.252 . . . . 0.0 106.813 170.804 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.369 25.1 m -103.43 155.25 5.5 Favored 'Isoleucine or valine' 1 C--N 1.46 5.37 0 C-N-CA 127.601 2.36 . . . . 0.0 115.319 -166.86 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.418 4.4 p30 -86.07 98.28 10.77 Favored 'General case' 0 C--N 1.412 3.291 0 C-N-CA 127.696 2.398 . . . . 0.0 114.504 -176.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.392 19.1 m -91.41 -18.68 7.3 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.324 0 CA-C-N 112.649 -2.069 . . . . 0.0 114.631 176.228 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.306 16.9 ptm180 -43.46 -27.67 0.29 Allowed 'General case' 3 N--CA 1.586 6.372 0 C-N-CA 128.69 2.796 . . . . 0.0 117.548 -178.404 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -140.84 75.48 1.51 Allowed 'General case' 1 C--N 1.436 4.327 0 C-N-CA 129.489 3.116 . . . . 0.0 109.695 174.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.54 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.277 18.3 m -142.75 166.85 15.06 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.419 0 C-N-CA 126.825 2.05 . . . . 0.0 109.07 174.903 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 p -80.92 164.94 22.23 Favored 'General case' 1 N--CA 1.564 5.258 0 C-N-CA 127.725 2.41 . . . . 0.0 110.293 168.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.281 6.1 p80 -52.7 -49.66 64.91 Favored 'General case' 2 N--CA 1.601 7.118 0 C-N-CA 125.235 1.414 . . . . 0.0 113.193 176.681 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.9 p -55.64 -37.21 67.93 Favored 'General case' 2 C--N 1.44 4.513 0 C-N-CA 128.199 2.6 . . . . 0.0 114.832 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.74 -20.36 53.6 Favored 'General case' 1 C--N 1.464 5.583 0 C-N-CA 127.488 2.315 . . . . 0.0 113.277 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.67 -34.31 18.48 Favored 'General case' 1 C--N 1.467 5.71 0 C-N-CA 126.507 1.923 . . . . 0.0 112.693 172.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -72.69 -39.85 60.92 Favored 'Isoleucine or valine' 3 N--CA 1.595 6.781 0 C-N-CA 127.449 2.3 . . . . 0.0 111.245 176.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.7 mt-10 -62.69 -19.46 63.9 Favored 'General case' 2 N--CA 1.596 6.869 0 C-N-CA 128.286 2.634 . . . . 0.0 115.367 176.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.96 -28.62 39.59 Favored 'General case' 1 CA--C 1.632 4.1 0 C-N-CA 126.93 2.092 . . . . 0.0 112.026 168.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.67 -28.48 16.64 Favored 'General case' 2 C--N 1.457 5.267 0 C-N-CA 127.223 2.209 . . . . 0.0 116.482 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -90.45 -37.12 14.15 Favored 'General case' 1 N--CA 1.542 4.15 0 C-N-CA 127.557 2.343 . . . . 0.0 114.247 175.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.283 39.7 mt-10 -91.18 -15.73 28.85 Favored 'General case' 2 N--CA 1.591 6.602 0 N-CA-C 120.488 3.514 . . . . 0.0 120.488 -177.666 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.24 -24.43 18.58 Favored 'General case' 3 N--CA 1.605 7.301 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.24 -35.36 4.8 Favored Glycine 1 C--N 1.424 5.43 0 N-CA-C 119.245 2.458 . . . . 0.0 119.245 166.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.3 p -171.84 -34.31 0.02 OUTLIER 'General case' 1 N--CA 1.56 5.031 0 C-N-CA 128.03 2.532 . . . . 0.0 113.243 -174.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.298 42.2 mm -128.53 121.26 54.75 Favored 'Isoleucine or valine' 1 C--N 1.434 4.255 0 C-N-CA 126.177 1.791 . . . . 0.0 108.65 -176.257 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.13 122.15 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.041 0 C-N-CA 127.892 2.477 . . . . 0.0 111.955 -175.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -109.55 135.35 50.67 Favored 'General case' 1 N--CA 1.54 4.053 0 C-N-CA 126.41 1.884 . . . . 0.0 111.496 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -122.77 138.13 54.72 Favored 'General case' 0 N--CA 1.528 3.447 0 C-N-CA 128.106 2.563 . . . . 0.0 112.467 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -118.95 110.74 17.5 Favored 'General case' 0 C--O 1.304 3.955 0 C-N-CA 126.406 1.882 . . . . 0.0 110.58 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.264 23.2 m -105.78 159.9 5.79 Favored 'Isoleucine or valine' 2 N--CA 1.574 5.744 0 O-C-N 126.657 2.473 . . . . 0.0 115.088 -175.178 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.276 24.5 ptt? -128.59 121.89 29.73 Favored 'General case' 2 N--CA 1.578 5.939 0 C-N-CA 127.543 2.337 . . . . 0.0 114.686 -174.679 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 . . . . . 1 N--CA 1.557 4.891 0 C-N-CA 127.462 2.305 . . . . 0.0 110.989 176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.477 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 60.2 m . . . . . 1 N--CA 1.539 4.011 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.253 2.4 t . . . . . 1 C--N 1.444 4.702 0 C-N-CA 125.581 1.552 . . . . 0.0 108.348 -177.908 . . . . . . . . 2 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.43 10.9 pt-20 . . . . . 1 N--CA 1.55 4.565 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 . . . . . . . . . 2 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -110.59 145.14 38.36 Favored 'General case' 1 N--CA 1.544 4.271 0 C-N-CA 126.51 1.924 . . . . 0.0 113.159 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -126.27 132.37 51.69 Favored 'General case' 1 N--CA 1.552 4.629 0 C-N-CA 125.728 1.611 . . . . 0.0 114.112 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.297 11.9 pt-20 -108.56 108.98 20.1 Favored 'General case' 1 C--N 1.428 4.001 0 C-N-CA 125.744 1.617 . . . . 0.0 111.904 172.813 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -113.93 145.36 19.88 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.262 0 C-N-CA 125.018 1.327 . . . . 0.0 111.088 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.41 127.23 55.61 Favored 'General case' 2 N--CA 1.554 4.739 0 C-N-CA 127.252 2.221 . . . . 0.0 113.75 172.813 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.534 3.768 0 C-N-CA 127.333 2.253 . . . . 0.0 113.01 175.699 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.216 0 N-CA-C 117.858 1.903 . . . . 0.0 117.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -160.15 172.21 17.86 Favored 'General case' 3 CA--C 1.635 4.236 0 C-N-CA 128.506 2.723 . . . . 0.0 109.005 168.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.553 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 70.0 m -137.01 142.4 42.51 Favored 'General case' 1 C--N 1.441 4.572 0 C-N-CA 125.534 1.533 . . . . 0.0 109.734 167.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.46 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.54 2.0 pp -118.35 126.12 74.82 Favored 'Isoleucine or valine' 2 N--CA 1.566 5.345 0 N-CA-C 119.56 3.171 . . . . 0.0 119.56 -175.286 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.82 117.52 34.53 Favored 'General case' 1 C--N 1.434 4.269 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.826 -177.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.63 164.95 28.43 Favored Glycine 0 N--CA 1.512 3.74 0 C-N-CA 125.77 1.652 . . . . 0.0 113.702 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.44 134.38 1.95 Allowed Glycine 1 C--N 1.411 4.704 0 N-CA-C 119.576 2.59 . . . . 0.0 119.576 -176.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.297 12.3 p -108.88 -39.32 5.36 Favored 'General case' 1 N--CA 1.554 4.742 0 C-N-CA 125.382 1.473 . . . . 0.0 113.36 160.286 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.47 -36.69 7.46 Favored 'General case' 2 C--N 1.434 4.269 0 C-N-CA 125.398 1.479 . . . . 0.0 113.427 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 . . . . . 2 CA--C 1.67 5.586 0 C-N-CA 126.988 2.115 . . . . 0.0 111.038 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.9 p . . . . . 1 N--CA 1.547 4.413 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.566 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.268 1.2 mm -92.38 127.35 44.63 Favored 'Isoleucine or valine' 3 C--N 1.454 5.151 0 C-N-CA 125.803 1.641 . . . . 0.0 109.429 -179.755 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -126.01 153.9 43.72 Favored 'General case' 1 N--CA 1.545 4.278 0 C-N-CA 127.419 2.288 . . . . 0.0 111.912 -173.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -90.33 141.81 13.84 Favored 'Isoleucine or valine' 1 C--N 1.453 5.091 0 C-N-CA 125.973 1.709 . . . . 0.0 109.071 171.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.321 2.2 p -145.05 -26.73 0.48 Allowed 'General case' 1 N--CA 1.556 4.839 0 C-N-CA 127.344 2.257 . . . . 0.0 113.973 -176.64 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 11.7 tmtt? -126.83 127.9 45.71 Favored 'General case' 1 C--N 1.469 5.793 0 C-N-CA 123.431 0.692 . . . . 0.0 110.753 178.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.621 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.277 42.1 mm -124.44 129.82 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.158 0 C-N-CA 127.126 2.171 . . . . 0.0 108.554 175.31 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.307 4.0 mp -82.97 130.38 57.81 Favored Pre-proline 2 CA--C 1.681 5.985 0 C-N-CA 125.611 1.564 . . . . 0.0 110.733 172.875 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.36 -22.79 65.91 Favored 'Trans proline' 3 C--N 1.538 10.521 0 C-N-CA 124.396 3.398 . . . . 0.0 117.483 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.27 44.58 1.2 Allowed Glycine 1 C--N 1.429 5.706 0 C-N-CA 125.001 1.286 . . . . 0.0 115.354 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.34 -177.63 30.11 Favored Glycine 2 C--N 1.436 6.13 0 C-N-CA 125.508 1.528 . . . . 0.0 115.353 174.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.73 -35.38 33.48 Favored 'General case' 1 N--CA 1.54 4.047 0 C-N-CA 127.69 2.396 . . . . 0.0 115.744 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.14 -26.17 36.31 Favored 'General case' 2 C--N 1.445 4.739 0 C-N-CA 126.703 2.001 . . . . 0.0 116.239 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 -42.45 16.38 Favored 'General case' 1 C--N 1.444 4.695 0 C-N-CA 127.228 2.211 . . . . 0.0 113.481 177.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -90.95 -56.99 2.96 Favored 'General case' 1 C--N 1.448 4.889 0 C-N-CA 127.297 2.239 . . . . 0.0 115.086 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.89 -33.59 15.57 Favored 'General case' 1 C--N 1.46 5.389 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 -172.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.65 -49.84 4.2 Favored Glycine 2 C--N 1.443 6.501 0 N-CA-C 117.437 1.735 . . . . 0.0 117.437 -173.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.581 0.3 OUTLIER 90.26 53.84 0.01 OUTLIER 'General case' 2 N--CA 1.568 5.461 0 C-N-CA 130.551 3.541 . . . . 0.0 116.359 -178.149 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.01 131.13 55.31 Favored 'General case' 0 C--N 1.419 3.593 0 C-N-CA 127.856 2.462 . . . . 0.0 111.175 170.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.14 153.97 24.97 Favored 'General case' 0 N--CA 1.525 3.305 0 C-N-CA 127.532 2.333 . . . . 0.0 110.328 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.3 p -56.39 -27.95 25.48 Favored 'Isoleucine or valine' 2 CA--C 1.655 5.001 0 C-N-CA 128.847 2.859 . . . . 0.0 115.79 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -91.91 9.22 33.89 Favored 'General case' 1 CA--C 1.673 5.71 0 C-N-CA 128.937 2.895 . . . . 0.0 112.419 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.257 1.4 m-20 -87.29 -31.08 20.41 Favored 'General case' 2 C--N 1.487 6.549 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -179.769 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.5 t 44.56 122.84 0.0 OUTLIER 'General case' 2 N--CA 1.592 6.641 0 C-N-CA 129.536 3.134 . . . . 0.0 116.113 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.492 HG21 HG13 ' A' ' 64' ' ' VAL . 15.6 mt -84.79 130.55 35.85 Favored 'Isoleucine or valine' 2 N--CA 1.559 4.976 0 C-N-CA 125.029 1.332 . . . . 0.0 110.55 -176.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.256 1.5 pt? -96.02 -46.03 6.67 Favored 'General case' 1 C--N 1.43 4.068 0 O-C-N 125.071 1.482 . . . . 0.0 112.082 168.109 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -132.99 135.94 45.77 Favored 'General case' 1 C--N 1.45 4.978 0 O-C-N 125.05 1.469 . . . . 0.0 113.273 -176.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.492 HG13 HG21 ' A' ' 61' ' ' ILE 0.514 0.5 OUTLIER -119.37 142.07 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.769 0 C-N-CA 124.438 1.095 . . . . 0.0 112.957 173.646 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.306 86.1 m-20 73.6 -81.2 0.03 OUTLIER 'General case' 3 N--CA 1.57 5.546 0 C-N-CA 128.822 2.849 . . . . 0.0 111.045 -176.547 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -156.4 9.01 0.23 Allowed 'General case' 2 CA--C 1.638 4.349 1 C-N-CA 133.812 4.845 . . . . 0.0 107.231 170.089 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.377 28.3 m -104.89 154.04 6.49 Favored 'Isoleucine or valine' 1 C--N 1.454 5.147 0 C-N-CA 128.407 2.683 . . . . 0.0 115.614 -166.637 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -89.26 110.58 21.34 Favored 'General case' 0 C--N 1.415 3.448 0 CA-C-N 111.272 -2.694 . . . . 0.0 111.397 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.499 20.2 m -103.06 -16.17 7.64 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.393 0 CA-C-N 111.467 -2.606 . . . . 0.0 116.263 176.625 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.38 39.0 ptt180 -50.89 -19.24 0.94 Allowed 'General case' 2 N--CA 1.586 6.347 0 N-CA-C 118.689 2.848 . . . . 0.0 118.689 -178.797 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -147.17 73.53 1.3 Allowed 'General case' 1 C--N 1.435 4.319 0 C-N-CA 128.219 2.608 . . . . 0.0 107.55 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.559 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.288 15.6 m -142.11 162.94 19.34 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.692 0 C-N-CA 127.355 2.262 . . . . 0.0 110.792 177.846 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 p -79.13 163.81 24.77 Favored 'General case' 1 N--CA 1.571 5.586 0 C-N-CA 126.789 2.036 . . . . 0.0 111.566 166.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.282 3.3 p80 -54.66 -50.67 67.64 Favored 'General case' 2 N--CA 1.597 6.902 0 C-N-CA 125.824 1.649 . . . . 0.0 114.488 176.889 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.0 m -58.73 -35.56 72.9 Favored 'General case' 2 N--CA 1.565 5.284 0 C-N-CA 126.95 2.1 . . . . 0.0 113.58 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.08 61.86 Favored 'General case' 1 C--N 1.456 5.213 0 C-N-CA 128.706 2.803 . . . . 0.0 114.375 174.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.04 -29.64 18.26 Favored 'General case' 1 C--N 1.461 5.446 0 C-N-CA 126.711 2.004 . . . . 0.0 112.994 175.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.4 t -75.25 -41.58 43.9 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.843 0 C-N-CA 127.776 2.431 . . . . 0.0 110.162 172.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.85 -23.92 66.58 Favored 'General case' 2 N--CA 1.596 6.859 0 C-N-CA 128.898 2.879 . . . . 0.0 115.612 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.96 -28.57 61.56 Favored 'General case' 0 C--N 1.426 3.909 0 C-N-CA 127.089 2.155 . . . . 0.0 111.823 168.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.505 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.254 12.0 mt -93.01 -34.03 13.89 Favored 'General case' 1 C--N 1.453 5.099 0 C-N-CA 127.263 2.225 . . . . 0.0 115.758 179.624 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -83.65 -36.2 24.0 Favored 'General case' 1 N--CA 1.546 4.36 0 C-N-CA 128.115 2.566 . . . . 0.0 113.203 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.267 40.6 mt-10 -87.93 -18.99 27.92 Favored 'General case' 2 N--CA 1.592 6.66 0 N-CA-C 119.601 3.185 . . . . 0.0 119.601 -177.537 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.47 -23.15 62.49 Favored 'General case' 3 N--CA 1.59 6.545 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.9 -34.91 5.38 Favored Glycine 1 C--N 1.425 5.49 0 N-CA-C 119.979 2.751 . . . . 0.0 119.979 165.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.5 t -172.59 -30.55 0.01 OUTLIER 'General case' 1 N--CA 1.567 5.388 0 C-N-CA 128.193 2.597 . . . . 0.0 111.147 -173.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.274 24.7 mm -124.25 124.26 68.26 Favored 'Isoleucine or valine' 1 C--N 1.439 4.466 0 C-N-CA 125.61 1.564 . . . . 0.0 109.578 -178.639 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.378 19.7 m -125.12 122.34 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.855 0 C-N-CA 127.666 2.387 . . . . 0.0 112.8 178.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.433 33.8 ptt180 -114.68 105.78 13.45 Favored 'General case' 1 N--CA 1.552 4.673 0 C-N-CA 126.201 1.801 . . . . 0.0 115.157 -177.578 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.26 137.66 35.01 Favored 'General case' 0 N--CA 1.531 3.61 0 C-N-CA 128.2 2.6 . . . . 0.0 114.543 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -117.38 110.88 18.58 Favored 'General case' 1 C--O 1.312 4.388 0 C-N-CA 126.372 1.869 . . . . 0.0 111.003 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 27.2 m -105.83 159.77 5.86 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.449 0 O-C-N 127.001 2.688 . . . . 0.0 114.908 -176.699 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.286 23.7 ptm -127.0 119.63 27.11 Favored 'General case' 1 N--CA 1.565 5.32 0 C-N-CA 127.817 2.447 . . . . 0.0 114.51 -175.464 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 . . . . . 0 C--N 1.417 3.521 0 C-N-CA 127.25 2.22 . . . . 0.0 107.986 176.872 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.46 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 55.1 m . . . . . 2 CA--C 1.65 4.817 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 N--CA 1.555 4.817 0 C-N-CA 126.965 2.106 . . . . 0.0 109.378 -173.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 . . . . . 1 N--CA 1.55 4.541 0 N-CA-C 112.478 0.548 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -107.07 144.55 33.59 Favored 'General case' 1 N--CA 1.548 4.448 0 C-N-CA 126.121 1.769 . . . . 0.0 113.237 -176.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -128.58 132.81 48.23 Favored 'General case' 1 C--N 1.437 4.384 0 C-N-CA 124.87 1.268 . . . . 0.0 110.892 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.292 11.6 pt-20 -106.7 113.44 26.94 Favored 'General case' 0 C--N 1.419 3.608 0 C-N-CA 126.469 1.908 . . . . 0.0 112.648 176.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -112.8 139.48 37.63 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.589 0 C-N-CA 124.738 1.215 . . . . 0.0 108.921 -179.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.9 m -120.21 121.55 38.99 Favored 'General case' 0 N--CA 1.529 3.524 0 C-N-CA 125.662 1.585 . . . . 0.0 108.704 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.518 2.941 0 C-N-CA 127.302 2.241 . . . . 0.0 112.417 178.71 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.909 0 CA-C-O 118.929 -0.929 . . . . 0.0 113.947 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -158.57 168.43 26.92 Favored 'General case' 1 C--N 1.452 5.045 0 C-N-CA 128.057 2.543 . . . . 0.0 109.882 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -135.42 141.36 45.43 Favored 'General case' 1 C--N 1.452 5.024 0 C-N-CA 124.906 1.282 . . . . 0.0 110.55 168.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.421 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.469 2.4 pp -117.04 126.23 74.33 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.412 0 N-CA-C 119.133 3.012 . . . . 0.0 119.133 -173.302 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.17 117.52 34.96 Favored 'General case' 1 C--N 1.432 4.162 0 CA-C-N 113.281 -1.782 . . . . 0.0 110.7 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.07 158.47 28.38 Favored Glycine 1 N--CA 1.519 4.19 0 C-N-CA 125.682 1.61 . . . . 0.0 113.432 -175.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.97 140.24 3.4 Favored Glycine 1 C--N 1.41 4.68 0 N-CA-C 119.667 2.627 . . . . 0.0 119.667 -173.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.278 5.5 p -100.62 -40.13 7.55 Favored 'General case' 1 N--CA 1.551 4.612 0 C-N-CA 126.004 1.722 . . . . 0.0 112.782 162.763 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.422 2.0 p30 -107.14 -28.33 10.03 Favored 'General case' 1 C--N 1.443 4.669 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 174.188 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 . . . . . 2 CA--C 1.653 4.932 0 C-N-CA 126.52 1.928 . . . . 0.0 112.853 178.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.2 p . . . . . 1 N--CA 1.556 4.839 0 N-CA-C 115.066 1.506 . . . . 0.0 115.066 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.286 1.0 OUTLIER -95.18 108.73 21.31 Favored 'Isoleucine or valine' 3 C--N 1.444 4.714 0 C-N-CA 125.785 1.634 . . . . 0.0 109.403 -176.789 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -114.16 148.78 36.69 Favored 'General case' 0 N--CA 1.532 3.664 0 C-N-CA 129.097 2.959 . . . . 0.0 111.646 -170.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -85.88 142.63 12.89 Favored 'Isoleucine or valine' 2 C--N 1.438 4.425 0 C-N-CA 126.455 1.902 . . . . 0.0 110.376 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.3 m -138.82 -39.86 0.5 Allowed 'General case' 0 N--CA 1.529 3.488 0 C-N-CA 127.468 2.307 . . . . 0.0 109.79 -170.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -126.18 130.87 51.84 Favored 'General case' 1 C--N 1.459 5.347 0 O-C-N 124.292 0.995 . . . . 0.0 111.13 -175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.63 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 46.7 mm -124.52 127.16 72.79 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.27 0 C-N-CA 126.723 2.009 . . . . 0.0 108.515 174.332 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.31 3.3 mp -81.47 130.46 61.85 Favored Pre-proline 2 CA--C 1.68 5.961 0 C-N-CA 126.353 1.861 . . . . 0.0 111.307 173.567 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.56 -22.8 64.71 Favored 'Trans proline' 3 C--N 1.54 10.627 0 C-N-CA 124.3 3.333 . . . . 0.0 117.657 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.94 39.3 1.84 Allowed Glycine 1 C--N 1.428 5.691 0 CA-C-O 118.15 -1.361 . . . . 0.0 115.642 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.1 -177.36 40.62 Favored Glycine 2 C--N 1.442 6.457 0 C-N-CA 125.595 1.569 . . . . 0.0 116.458 175.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.62 -39.28 27.74 Favored 'General case' 0 N--CA 1.535 3.823 0 C-N-CA 129.312 3.045 . . . . 0.0 115.026 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.7 -25.41 35.51 Favored 'General case' 2 C--N 1.447 4.848 0 C-N-CA 126.951 2.1 . . . . 0.0 116.141 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.82 -41.52 18.97 Favored 'General case' 1 C--N 1.446 4.761 0 C-N-CA 127.127 2.171 . . . . 0.0 113.655 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -90.94 -56.35 3.21 Favored 'General case' 1 C--N 1.452 5.064 0 C-N-CA 127.187 2.195 . . . . 0.0 114.953 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.1 -33.26 15.54 Favored 'General case' 2 C--N 1.46 5.388 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 -173.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.41 -48.01 4.69 Favored Glycine 2 C--N 1.438 6.242 0 N-CA-C 117.771 1.868 . . . . 0.0 117.771 -173.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.526 98.0 mtt180 89.75 53.54 0.01 OUTLIER 'General case' 2 N--CA 1.582 6.144 0 C-N-CA 130.567 3.547 . . . . 0.0 116.012 -178.793 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -111.43 132.09 54.72 Favored 'General case' 0 C--N 1.421 3.692 0 C-N-CA 127.121 2.168 . . . . 0.0 112.377 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.57 153.72 25.86 Favored 'General case' 0 N--CA 1.526 3.355 0 C-N-CA 128.095 2.558 . . . . 0.0 110.2 169.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -56.89 -25.48 22.23 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.189 0 C-N-CA 128.432 2.693 . . . . 0.0 116.097 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.93 8.82 35.68 Favored 'General case' 1 CA--C 1.666 5.404 0 C-N-CA 128.879 2.872 . . . . 0.0 112.788 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.1 -32.87 24.51 Favored 'General case' 2 C--N 1.486 6.543 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t 45.78 121.89 0.0 OUTLIER 'General case' 2 N--CA 1.598 6.962 0 C-N-CA 129.662 3.185 . . . . 0.0 115.865 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.419 HG21 HG13 ' A' ' 64' ' ' VAL . 16.6 mt -84.77 130.91 35.24 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.243 0 C-N-CA 125.283 1.433 . . . . 0.0 110.829 -176.457 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.263 1.5 pt? -97.56 -45.45 6.4 Favored 'General case' 0 C--N 1.422 3.744 0 CA-C-N 114.366 -1.288 . . . . 0.0 112.279 167.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -132.22 134.57 45.49 Favored 'General case' 1 C--N 1.448 4.85 0 O-C-N 125.01 1.444 . . . . 0.0 113.084 -176.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.419 HG13 HG21 ' A' ' 61' ' ' ILE 0.421 0.0 OUTLIER -120.35 134.63 63.21 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.428 0 C-N-CA 124.801 1.24 . . . . 0.0 111.255 173.819 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 75.31 -10.22 1.27 Allowed 'General case' 2 N--CA 1.606 7.374 0 C-N-CA 129.013 2.925 . . . . 0.0 114.536 -176.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.416 46.8 mt-10 95.83 6.62 0.03 OUTLIER 'General case' 3 N--CA 1.58 6.041 1 C-N-CA 132.039 4.135 . . . . 0.0 111.661 -159.299 . . . . . . . . 4 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.398 30.1 m -94.62 153.38 3.47 Favored 'Isoleucine or valine' 1 C--N 1.467 5.675 0 C-N-CA 127.381 2.272 . . . . 0.0 113.842 178.382 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.444 4.4 p-10 -83.62 101.81 11.75 Favored 'General case' 0 C--N 1.41 3.208 0 C-N-CA 127.264 2.226 . . . . 0.0 115.762 -172.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.456 25.7 m -100.55 -3.77 9.39 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.315 0 CA-C-N 112.611 -2.086 . . . . 0.0 115.312 175.678 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.297 38.3 ptt180 -47.48 -27.55 1.8 Allowed 'General case' 2 N--CA 1.58 6.067 0 C-N-CA 128.762 2.825 . . . . 0.0 117.744 179.149 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -151.02 80.11 1.32 Allowed 'General case' 1 C--N 1.442 4.593 0 C-N-CA 129.854 3.261 . . . . 0.0 108.69 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 18.7 m -142.98 162.37 17.43 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.642 0 C-N-CA 126.852 2.061 . . . . 0.0 110.579 178.105 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.1 164.47 25.66 Favored 'General case' 1 N--CA 1.57 5.569 0 C-N-CA 126.606 1.962 . . . . 0.0 112.217 167.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.271 6.7 p80 -51.27 -54.06 29.56 Favored 'General case' 2 N--CA 1.596 6.868 0 C-N-CA 126.441 1.896 . . . . 0.0 114.253 176.178 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.9 m -60.22 -36.64 78.16 Favored 'General case' 2 N--CA 1.565 5.302 0 C-N-CA 126.816 2.046 . . . . 0.0 113.494 177.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.54 -22.7 63.54 Favored 'General case' 1 C--N 1.455 5.194 0 C-N-CA 128.639 2.776 . . . . 0.0 114.266 174.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -33.98 15.76 Favored 'General case' 1 C--N 1.463 5.536 0 C-N-CA 126.648 1.979 . . . . 0.0 112.727 175.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.0 t -73.2 -41.91 58.31 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.564 0 C-N-CA 127.536 2.335 . . . . 0.0 111.225 176.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -57.78 -30.42 65.64 Favored 'General case' 2 N--CA 1.562 5.15 0 C-N-CA 128.874 2.87 . . . . 0.0 114.812 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.67 -29.11 67.51 Favored 'General case' 1 C--N 1.449 4.905 0 C-N-CA 127.428 2.291 . . . . 0.0 113.092 171.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.01 -29.57 16.53 Favored 'General case' 2 C--N 1.444 4.706 0 C-N-CA 127.375 2.27 . . . . 0.0 114.003 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -85.11 -28.32 25.66 Favored 'General case' 0 C--N 1.424 3.824 0 C-N-CA 127.589 2.356 . . . . 0.0 113.979 174.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.409 9.8 pt-20 -73.81 -44.08 56.89 Favored 'General case' 2 N--CA 1.583 6.194 0 N-CA-C 119.804 3.261 . . . . 0.0 119.804 178.047 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.33 -21.64 9.96 Favored 'General case' 2 C--N 1.45 4.971 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 -172.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.63 -34.77 4.2 Favored Glycine 1 C--N 1.42 5.201 0 N-CA-C 120.592 2.997 . . . . 0.0 120.592 167.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -162.05 -32.7 0.04 OUTLIER 'General case' 1 N--CA 1.544 4.246 0 C-N-CA 126.843 2.057 . . . . 0.0 113.596 -169.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 1.601 ' CA ' ' CB ' ' A' ' 87' ' ' ILE 0.287 45.0 mm -130.36 108.76 16.21 Favored 'Isoleucine or valine' 0 C--N 1.426 3.917 0 C-N-CA 126.664 1.986 . . . . 0.0 108.94 -175.047 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.258 0.0 OUTLIER -113.79 118.94 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.474 0 O-C-N 125.774 1.921 . . . . 0.0 112.422 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.496 ' HB3' HG23 ' A' ' 11' ' ' THR 0.423 37.6 ptt180 -111.42 99.93 8.61 Favored 'General case' 1 N--CA 1.558 4.97 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -176.4 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.94 139.35 30.62 Favored 'General case' 0 N--CA 1.53 3.559 0 C-N-CA 128.092 2.557 . . . . 0.0 113.934 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -119.91 112.32 19.05 Favored 'General case' 1 C--O 1.315 4.518 0 C-N-CA 126.802 2.041 . . . . 0.0 110.75 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.277 33.7 m -106.88 158.7 6.79 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.962 0 O-C-N 127.014 2.696 . . . . 0.0 115.299 -175.371 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.314 25.4 ptt? -124.76 116.94 23.11 Favored 'General case' 1 N--CA 1.562 5.136 0 C-N-CA 127.87 2.468 . . . . 0.0 114.625 -175.117 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 . . . . . 0 N--CA 1.522 3.164 0 C-N-CA 128.594 2.758 . . . . 0.0 110.48 177.093 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.421 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 66.3 m . . . . . 2 N--CA 1.55 4.562 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 1.56 ' CA ' ' CB ' ' B' ' 9' ' ' VAL 0.251 3.1 t . . . . . 2 C--N 1.446 4.8 0 C-N-CA 126.006 1.722 . . . . 0.0 107.931 -176.708 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.338 10.6 pt-20 . . . . . 1 N--CA 1.55 4.534 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 . . . . . . . . . 2 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -102.05 143.16 32.25 Favored 'General case' 1 N--CA 1.551 4.593 0 C-N-CA 125.864 1.666 . . . . 0.0 113.098 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.02 132.57 50.72 Favored 'General case' 1 C--N 1.435 4.308 0 C-N-CA 124.56 1.144 . . . . 0.0 111.003 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -105.54 114.18 28.2 Favored 'General case' 0 C--N 1.42 3.639 0 C-N-CA 126.566 1.946 . . . . 0.0 112.815 176.164 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -112.83 138.92 40.42 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.633 0 C-N-CA 124.805 1.242 . . . . 0.0 108.937 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.534 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.5 m -118.71 120.09 36.37 Favored 'General case' 0 N--CA 1.53 3.549 0 C-N-CA 125.506 1.522 . . . . 0.0 108.957 175.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.1 mt . . . . . 0 N--CA 1.524 3.241 0 C-N-CA 127.366 2.266 . . . . 0.0 112.421 178.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.502 3.033 0 CA-C-O 119.282 -0.732 . . . . 0.0 113.945 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -156.73 166.37 33.57 Favored 'General case' 1 C--N 1.44 4.525 0 C-N-CA 129.207 3.003 . . . . 0.0 109.022 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 73.7 m -132.68 145.04 50.73 Favored 'General case' 1 C--N 1.441 4.568 0 C-N-CA 125.175 1.39 . . . . 0.0 110.705 169.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.528 2.2 pp -121.95 127.14 75.3 Favored 'Isoleucine or valine' 2 N--CA 1.579 6.015 0 N-CA-C 119.359 3.096 . . . . 0.0 119.359 -175.475 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.9 117.99 35.41 Favored 'General case' 1 C--N 1.429 4.026 0 CA-C-N 113.782 -1.553 . . . . 0.0 111.525 -177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.8 157.77 26.28 Favored Glycine 0 N--CA 1.512 3.754 0 C-N-CA 125.564 1.554 . . . . 0.0 113.713 -175.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.09 153.8 10.53 Favored Glycine 2 N--CA 1.518 4.122 0 N-CA-C 117.689 1.836 . . . . 0.0 117.689 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 11.5 p -106.06 -44.78 4.5 Favored 'General case' 1 N--CA 1.56 5.041 0 C-N-CA 126.194 1.798 . . . . 0.0 113.014 166.506 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -102.24 -32.36 10.1 Favored 'General case' 1 C--N 1.431 4.134 0 C-N-CA 126.486 1.915 . . . . 0.0 113.133 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 . . . . . 2 CA--C 1.653 4.927 0 C-N-CA 126.902 2.081 . . . . 0.0 111.413 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.9 p . . . . . 1 N--CA 1.553 4.721 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.552 ' CB ' ' CA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -97.06 133.36 38.91 Favored 'Isoleucine or valine' 3 C--N 1.448 4.869 0 C-N-CA 126.474 1.91 . . . . 0.0 109.555 -179.052 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -129.22 156.51 43.84 Favored 'General case' 1 N--CA 1.552 4.664 0 C-N-CA 127.448 2.299 . . . . 0.0 112.195 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -89.03 144.35 9.28 Favored 'Isoleucine or valine' 2 C--N 1.458 5.3 0 C-N-CA 126.1 1.76 . . . . 0.0 109.067 168.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.327 11.5 p -147.36 -25.54 0.38 Allowed 'General case' 1 N--CA 1.556 4.875 0 C-N-CA 127.375 2.27 . . . . 0.0 113.551 -179.168 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.2 tmtm? -126.79 126.88 44.14 Favored 'General case' 1 C--N 1.477 6.117 0 C-N-CA 123.116 0.567 . . . . 0.0 111.277 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.598 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.275 43.5 mm -123.29 130.3 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.617 3.531 0 C-N-CA 126.926 2.09 . . . . 0.0 108.636 173.566 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.295 3.1 mp -83.5 132.45 49.51 Favored Pre-proline 2 CA--C 1.679 5.925 0 C-N-CA 126.56 1.944 . . . . 0.0 110.886 173.595 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.95 -22.36 62.85 Favored 'Trans proline' 3 C--N 1.538 10.519 0 C-N-CA 124.203 3.269 . . . . 0.0 117.678 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.93 39.35 1.83 Allowed Glycine 1 C--N 1.428 5.69 0 CA-C-O 118.071 -1.405 . . . . 0.0 115.806 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.411 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -94.22 -177.64 38.93 Favored Glycine 2 C--N 1.441 6.395 0 C-N-CA 125.467 1.508 . . . . 0.0 116.519 174.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.81 -38.18 28.85 Favored 'General case' 0 N--CA 1.535 3.791 0 C-N-CA 129.118 2.967 . . . . 0.0 115.21 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.52 -23.26 37.4 Favored 'General case' 2 C--N 1.448 4.876 0 C-N-CA 126.829 2.052 . . . . 0.0 116.037 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.97 -41.02 15.24 Favored 'General case' 1 C--N 1.443 4.663 0 C-N-CA 127.047 2.139 . . . . 0.0 113.598 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -90.57 -56.23 3.27 Favored 'General case' 1 C--N 1.448 4.867 0 C-N-CA 127.062 2.145 . . . . 0.0 114.531 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.1 -31.14 16.36 Favored 'General case' 1 C--N 1.459 5.369 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.06 -49.88 3.64 Favored Glycine 2 C--N 1.44 6.349 0 N-CA-C 117.874 1.909 . . . . 0.0 117.874 -173.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.543 8.5 mpt_? 88.95 52.27 0.01 OUTLIER 'General case' 2 N--CA 1.576 5.833 0 C-N-CA 130.553 3.541 . . . . 0.0 116.329 -178.021 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -111.59 129.38 56.09 Favored 'General case' 0 C--N 1.422 3.72 0 C-N-CA 127.311 2.245 . . . . 0.0 112.528 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -112.03 157.84 20.26 Favored 'General case' 0 N--CA 1.532 3.636 0 C-N-CA 128.123 2.569 . . . . 0.0 110.627 170.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.578 HG13 HG12 ' A' ' 43' ' ' ILE 0.278 3.1 m -51.39 -30.4 10.54 Favored 'Isoleucine or valine' 1 N--CA 1.634 8.731 0 C-N-CA 127.718 2.407 . . . . 0.0 116.187 175.645 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.283 9.7 p30 -90.36 8.15 34.97 Favored 'General case' 1 CA--C 1.653 4.909 0 C-N-CA 128.672 2.789 . . . . 0.0 113.724 -178.068 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.08 -34.96 16.57 Favored 'General case' 2 C--N 1.488 6.62 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.269 67.2 m 43.93 120.22 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.681 0 C-N-CA 129.361 3.065 . . . . 0.0 117.07 177.082 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.54 HG21 HG23 ' A' ' 64' ' ' VAL 0.25 15.0 mt -82.47 131.68 33.19 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.15 0 C-N-CA 125.171 1.389 . . . . 0.0 111.038 -175.959 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -97.3 -44.77 6.76 Favored 'General case' 1 C--N 1.429 4.057 0 O-C-N 125.217 1.573 . . . . 0.0 112.505 167.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -133.42 130.3 38.5 Favored 'General case' 1 C--N 1.445 4.722 0 O-C-N 125.161 1.538 . . . . 0.0 111.778 -175.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.54 HG23 HG21 ' A' ' 61' ' ' ILE 0.268 1.0 OUTLIER -119.67 139.89 45.49 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.914 0 CA-C-O 117.41 -1.281 . . . . 0.0 108.939 178.164 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 70.91 -5.37 1.51 Allowed 'General case' 2 N--CA 1.628 8.429 0 C-N-CA 126.794 2.038 . . . . 0.0 114.785 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.393 1.3 mp0 79.93 20.92 0.57 Allowed 'General case' 3 N--CA 1.586 6.374 0 C-N-CA 130.101 3.36 . . . . 0.0 111.589 -156.754 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 64' ' ' VAL 0.261 0.3 OUTLIER -106.24 148.43 10.65 Favored 'Isoleucine or valine' 1 C--N 1.449 4.923 0 C-N-CA 128.311 2.644 . . . . 0.0 109.962 -176.699 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.359 4.2 p-10 -82.87 97.49 8.68 Favored 'General case' 0 C--N 1.401 2.833 0 C-N-CA 127.335 2.254 . . . . 0.0 114.359 -174.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.425 24.0 m -90.71 -9.81 10.27 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.028 0 CA-C-N 112.733 -2.031 . . . . 0.0 114.512 173.737 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -46.14 -25.95 0.68 Allowed 'General case' 2 N--CA 1.597 6.887 0 C-N-CA 128.436 2.694 . . . . 0.0 116.93 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -153.79 76.54 1.07 Allowed 'General case' 2 C--N 1.448 4.876 0 C-N-CA 128.595 2.758 . . . . 0.0 108.009 177.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.579 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.281 18.0 m -138.7 166.15 23.23 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.68 0 C-N-CA 126.525 1.93 . . . . 0.0 109.497 175.001 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.6 p -79.71 162.74 25.01 Favored 'General case' 1 N--CA 1.556 4.838 0 C-N-CA 127.752 2.421 . . . . 0.0 110.969 168.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -47.98 -54.56 12.49 Favored 'General case' 3 N--CA 1.579 5.999 0 C-N-CA 128.616 2.766 . . . . 0.0 111.536 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -62.1 -30.1 70.78 Favored 'General case' 1 C--N 1.453 5.108 0 C-N-CA 127.123 2.169 . . . . 0.0 114.157 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.64 -19.83 51.7 Favored 'General case' 1 C--N 1.481 6.31 0 C-N-CA 126.511 1.924 . . . . 0.0 112.983 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.7 -37.01 15.86 Favored 'General case' 1 C--N 1.468 5.742 0 C-N-CA 126.403 1.881 . . . . 0.0 112.652 172.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -72.28 -41.51 65.93 Favored 'Isoleucine or valine' 3 N--CA 1.593 6.711 0 C-N-CA 126.968 2.107 . . . . 0.0 112.043 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.8 mt-10 -64.7 -18.13 64.72 Favored 'General case' 1 N--CA 1.601 7.125 0 C-N-CA 127.771 2.428 . . . . 0.0 114.819 177.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.25 -28.47 47.8 Favored 'General case' 1 CA--C 1.631 4.064 0 C-N-CA 126.663 1.985 . . . . 0.0 112.438 167.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.42 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.6 mt -92.49 -33.83 14.34 Favored 'General case' 2 C--N 1.461 5.416 0 C-N-CA 126.666 1.986 . . . . 0.0 116.211 178.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -85.6 -40.04 16.68 Favored 'General case' 0 N--CA 1.538 3.954 0 C-N-CA 127.155 2.182 . . . . 0.0 114.068 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.278 40.0 mt-10 -91.43 -12.95 33.23 Favored 'General case' 2 N--CA 1.581 6.08 0 N-CA-C 120.085 3.365 . . . . 0.0 120.085 -175.694 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.04 -24.76 41.49 Favored 'General case' 3 N--CA 1.605 7.279 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.82 -35.11 4.55 Favored Glycine 1 C--N 1.423 5.376 0 N-CA-C 118.215 2.046 . . . . 0.0 118.215 166.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.0 p -175.58 -33.44 0.01 OUTLIER 'General case' 2 N--CA 1.555 4.787 0 C-N-CA 129.07 2.948 . . . . 0.0 112.943 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.292 42.5 mm -121.87 115.9 47.74 Favored 'Isoleucine or valine' 1 C--N 1.43 4.074 0 C-N-CA 126.256 1.822 . . . . 0.0 109.064 -174.087 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -120.69 117.03 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.26 0 C-N-CA 127.611 2.364 . . . . 0.0 111.22 -177.715 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.534 ' HB3' HG23 ' A' ' 11' ' ' THR 0.41 35.5 ptt180 -113.93 100.24 8.27 Favored 'General case' 1 N--CA 1.559 4.986 0 C-N-CA 126.136 1.774 . . . . 0.0 115.587 -173.83 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.67 143.21 26.52 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.779 2.432 . . . . 0.0 114.175 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -122.75 113.59 19.4 Favored 'General case' 1 C--O 1.315 4.503 0 C-N-CA 127.356 2.262 . . . . 0.0 110.869 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 33.7 m -107.09 159.15 6.82 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.189 0 O-C-N 126.89 2.619 . . . . 0.0 115.308 -175.603 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.305 25.7 ptt? -126.33 117.38 22.87 Favored 'General case' 1 N--CA 1.565 5.309 0 C-N-CA 127.566 2.347 . . . . 0.0 114.409 -175.072 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.318 16.0 ptm180 . . . . . 1 N--CA 1.549 4.522 0 C-N-CA 126.805 2.042 . . . . 0.0 112.893 179.793 . . . . . . . . 2 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.6 m . . . . . 1 N--CA 1.546 4.34 0 N-CA-C 115.987 1.847 . . . . 0.0 115.987 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 2 C--N 1.455 5.159 0 C-N-CA 127.654 2.381 . . . . 0.0 107.272 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.379 11.2 pt-20 . . . . . 1 N--CA 1.554 4.735 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 . . . . . . . . . 2 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.11 142.99 35.92 Favored 'General case' 1 N--CA 1.545 4.287 0 C-N-CA 126.324 1.849 . . . . 0.0 112.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.95 135.15 50.49 Favored 'General case' 1 N--CA 1.539 4.002 0 C-N-CA 125.805 1.642 . . . . 0.0 113.891 -178.197 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.303 11.9 pt-20 -107.62 111.22 23.34 Favored 'General case' 0 C--N 1.426 3.898 0 C-N-CA 126.103 1.761 . . . . 0.0 112.571 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -112.48 141.84 26.77 Favored 'Isoleucine or valine' 2 N--CA 1.554 4.758 0 C-N-CA 125.021 1.329 . . . . 0.0 108.896 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.7 m -120.49 123.91 44.11 Favored 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 125.82 1.648 . . . . 0.0 109.021 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 C--N 1.408 3.113 0 C-N-CA 127.602 2.361 . . . . 0.0 112.525 178.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.521 4.328 0 N-CA-C 117.156 1.622 . . . . 0.0 117.156 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -156.18 164.11 38.77 Favored 'General case' 1 C--N 1.441 4.557 0 C-N-CA 127.781 2.433 . . . . 0.0 109.896 176.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.608 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 61.2 m -133.8 144.03 48.74 Favored 'General case' 1 C--N 1.441 4.586 0 C-N-CA 125.447 1.499 . . . . 0.0 111.201 171.742 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.525 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.616 2.2 pp -118.36 131.83 69.98 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.419 0 N-CA-C 120.205 3.409 . . . . 0.0 120.205 -173.609 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.98 118.86 37.67 Favored 'General case' 1 C--N 1.455 5.171 0 C-N-CA 126.207 1.803 . . . . 0.0 110.989 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.56 157.1 28.05 Favored Glycine 0 C--N 1.391 3.595 0 O-C-N 124.807 1.317 . . . . 0.0 114.743 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.66 145.54 5.52 Favored Glycine 1 C--N 1.402 4.202 0 N-CA-C 118.068 1.987 . . . . 0.0 118.068 -174.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.252 11.6 p -102.78 -33.82 9.24 Favored 'General case' 1 N--CA 1.559 5.016 0 C-N-CA 126.073 1.749 . . . . 0.0 112.625 164.716 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -106.41 -34.06 7.54 Favored 'General case' 1 C--N 1.437 4.379 0 C-N-CA 125.801 1.64 . . . . 0.0 113.301 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 . . . . . 2 CA--C 1.681 6.009 0 C-N-CA 127.217 2.207 . . . . 0.0 110.928 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.3 p . . . . . 1 N--CA 1.547 4.375 0 N-CA-C 113.974 1.101 . . . . 0.0 113.974 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.267 0.8 OUTLIER -95.37 128.33 46.64 Favored 'Isoleucine or valine' 3 N--CA 1.549 4.518 0 C-N-CA 125.654 1.582 . . . . 0.0 109.985 -176.285 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -130.66 157.19 43.43 Favored 'General case' 2 N--CA 1.548 4.437 0 C-N-CA 127.539 2.336 . . . . 0.0 111.416 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.24 141.11 14.76 Favored 'Isoleucine or valine' 1 C--N 1.461 5.449 0 C-N-CA 126.02 1.728 . . . . 0.0 109.199 171.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.343 1.3 p -148.58 -21.31 0.32 Allowed 'General case' 1 N--CA 1.55 4.567 0 C-N-CA 127.803 2.441 . . . . 0.0 113.765 -175.709 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.608 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 9.0 tmtm? -128.9 127.41 41.72 Favored 'General case' 1 C--N 1.481 6.324 0 C-N-CA 123.367 0.667 . . . . 0.0 110.76 176.216 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.615 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.277 45.8 mm -123.56 132.46 71.33 Favored 'Isoleucine or valine' 0 C--N 1.415 3.438 0 C-N-CA 126.916 2.087 . . . . 0.0 109.145 174.002 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.282 3.2 mp -85.77 129.29 55.2 Favored Pre-proline 1 CA--C 1.679 5.941 0 C-N-CA 126.479 1.912 . . . . 0.0 109.943 172.021 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.96 -19.72 63.98 Favored 'Trans proline' 3 C--N 1.535 10.384 0 C-N-CA 124.192 3.261 . . . . 0.0 117.88 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.49 37.85 2.05 Favored Glycine 1 C--N 1.428 5.683 0 CA-C-O 117.822 -1.543 . . . . 0.0 116.45 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.16 -178.01 40.35 Favored Glycine 3 C--N 1.444 6.575 0 C-N-CA 124.947 1.26 . . . . 0.0 116.045 173.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.98 -37.5 29.19 Favored 'General case' 0 N--CA 1.539 3.997 0 C-N-CA 128.536 2.735 . . . . 0.0 115.688 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.65 35.39 Favored 'General case' 2 C--N 1.445 4.722 0 C-N-CA 127.644 2.378 . . . . 0.0 115.395 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.3 -42.4 20.66 Favored 'General case' 1 C--N 1.452 5.026 0 C-N-CA 127.38 2.272 . . . . 0.0 113.339 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -91.05 -57.89 2.65 Favored 'General case' 1 C--N 1.45 4.944 0 C-N-CA 127.391 2.277 . . . . 0.0 115.021 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.82 -34.14 15.41 Favored 'General case' 1 C--N 1.46 5.394 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 -172.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.07 -43.64 7.03 Favored Glycine 2 C--N 1.44 6.345 0 N-CA-C 117.534 1.774 . . . . 0.0 117.534 -174.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.548 24.7 mmm180 88.31 52.33 0.01 OUTLIER 'General case' 2 N--CA 1.57 5.525 0 C-N-CA 130.777 3.631 . . . . 0.0 116.433 179.646 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tp -111.19 130.26 55.69 Favored 'General case' 0 C--N 1.418 3.548 0 C-N-CA 127.699 2.399 . . . . 0.0 111.568 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.45 156.43 21.66 Favored 'General case' 0 N--CA 1.524 3.273 0 C-N-CA 127.934 2.494 . . . . 0.0 110.305 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.18 -26.89 22.68 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.164 0 C-N-CA 129.042 2.937 . . . . 0.0 115.616 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -91.67 9.08 33.87 Favored 'General case' 1 CA--C 1.673 5.711 0 C-N-CA 129.104 2.962 . . . . 0.0 112.149 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.23 -36.19 18.1 Favored 'General case' 2 C--N 1.488 6.617 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.265 68.8 m 44.84 119.15 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.405 0 C-N-CA 129.734 3.214 . . . . 0.0 117.113 176.973 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.464 HG21 HG13 ' A' ' 64' ' ' VAL . 10.2 mt -83.68 128.32 38.92 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.183 0 C-N-CA 125.185 1.394 . . . . 0.0 110.542 -175.459 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.265 1.5 pt? -94.66 -46.03 7.11 Favored 'General case' 0 C--N 1.424 3.832 0 O-C-N 125.163 1.539 . . . . 0.0 111.996 169.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -131.04 132.9 45.24 Favored 'General case' 2 C--N 1.449 4.924 0 O-C-N 125.049 1.468 . . . . 0.0 113.463 -176.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.464 HG13 HG21 ' A' ' 61' ' ' ILE 0.466 0.0 OUTLIER -118.7 137.13 53.66 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.768 0 C-N-CA 124.474 1.11 . . . . 0.0 112.825 176.29 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.277 4.4 m-20 74.49 -68.55 0.21 Allowed 'General case' 2 N--CA 1.58 6.073 0 C-N-CA 128.501 2.72 . . . . 0.0 112.428 -177.438 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.265 10.4 pt-20 -170.29 6.02 0.02 OUTLIER 'General case' 2 CA--C 1.643 4.551 1 C-N-CA 134.168 4.987 . . . . 0.0 108.941 174.087 . . . . . . . . 4 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.371 33.6 m -99.9 154.48 4.31 Favored 'Isoleucine or valine' 1 C--N 1.452 5.038 0 C-N-CA 127.845 2.458 . . . . 0.0 115.745 -169.015 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.388 4.2 p-10 -90.54 93.44 9.29 Favored 'General case' 0 C--N 1.419 3.59 0 C-N-CA 128.386 2.674 . . . . 0.0 112.542 -177.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG22 HG21 ' A' ' 72' ' ' VAL 0.311 0.5 OUTLIER -93.59 -8.87 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.319 0 CA-C-N 111.507 -2.588 . . . . 0.0 113.332 -179.61 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -56.89 -17.95 11.38 Favored 'General case' 2 N--CA 1.57 5.569 0 C-N-CA 128.041 2.536 . . . . 0.0 114.575 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -152.77 80.03 1.21 Allowed 'General case' 1 C--N 1.46 5.376 0 C-N-CA 128.817 2.847 . . . . 0.0 109.452 177.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.447 HG21 HG22 ' A' ' 69' ' ' VAL . 33.5 m -146.81 165.5 7.31 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.652 0 C-N-CA 127.499 2.32 . . . . 0.0 110.479 179.313 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -76.98 163.72 26.44 Favored 'General case' 1 N--CA 1.57 5.569 0 C-N-CA 126.338 1.855 . . . . 0.0 111.444 165.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.268 12.1 p80 -50.99 -53.78 30.22 Favored 'General case' 2 N--CA 1.598 6.934 0 C-N-CA 126.224 1.81 . . . . 0.0 114.318 177.055 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 t -62.38 -31.95 72.69 Favored 'General case' 3 N--CA 1.554 4.753 0 C-N-CA 126.88 2.072 . . . . 0.0 112.923 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.36 -22.75 61.1 Favored 'General case' 1 C--N 1.452 5.034 0 C-N-CA 128.395 2.678 . . . . 0.0 113.955 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.01 -32.26 15.99 Favored 'General case' 1 C--N 1.465 5.591 0 C-N-CA 126.335 1.854 . . . . 0.0 112.799 173.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.83 -41.06 69.85 Favored 'Isoleucine or valine' 3 N--CA 1.586 6.347 0 C-N-CA 127.409 2.284 . . . . 0.0 111.371 175.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 41.9 mt-10 -65.3 -16.47 63.61 Favored 'General case' 1 N--CA 1.595 6.812 0 C-N-CA 128.313 2.645 . . . . 0.0 115.044 176.62 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.02 -29.34 49.44 Favored 'General case' 0 CA--C 1.624 3.808 0 C-N-CA 126.852 2.061 . . . . 0.0 112.273 166.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.513 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.266 1.4 mt -92.95 -35.27 13.4 Favored 'General case' 2 C--N 1.464 5.564 0 N-CA-C 116.593 2.072 . . . . 0.0 116.593 178.754 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -85.52 -35.63 21.02 Favored 'General case' 1 N--CA 1.543 4.184 0 C-N-CA 127.373 2.269 . . . . 0.0 114.493 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.28 39.3 mt-10 -88.96 -14.12 37.35 Favored 'General case' 2 N--CA 1.585 6.291 0 N-CA-C 119.683 3.216 . . . . 0.0 119.683 -176.501 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.58 67.84 Favored 'General case' 3 N--CA 1.592 6.646 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.21 -34.67 5.6 Favored Glycine 1 C--N 1.422 5.336 0 N-CA-C 119.566 2.586 . . . . 0.0 119.566 165.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 m -168.28 -33.78 0.02 OUTLIER 'General case' 1 N--CA 1.554 4.736 0 C-N-CA 128.648 2.779 . . . . 0.0 112.482 -171.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.272 23.9 mm -124.92 110.7 25.53 Favored 'Isoleucine or valine' 1 C--N 1.441 4.561 0 C-N-CA 125.828 1.651 . . . . 0.0 109.143 -173.093 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.513 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.275 0.0 OUTLIER -119.56 118.15 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.402 0 O-C-N 126.133 2.146 . . . . 0.0 113.09 179.594 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.513 ' HB3' HG23 ' A' ' 11' ' ' THR 0.428 36.3 ptt180 -111.82 105.12 13.51 Favored 'General case' 1 N--CA 1.553 4.698 0 C-N-CA 125.943 1.697 . . . . 0.0 115.227 -177.862 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 138.45 32.1 Favored 'General case' 0 N--CA 1.527 3.384 0 C-N-CA 128.215 2.606 . . . . 0.0 113.95 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -117.52 112.66 20.9 Favored 'General case' 1 C--O 1.309 4.186 0 C-N-CA 126.685 1.994 . . . . 0.0 110.867 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 33.6 m -106.74 159.91 6.34 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.139 0 O-C-N 126.864 2.602 . . . . 0.0 115.491 -175.014 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.318 3.8 ppp? -125.38 116.93 22.66 Favored 'General case' 1 N--CA 1.564 5.249 0 C-N-CA 127.996 2.518 . . . . 0.0 114.121 -176.64 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.532 3.627 0 C-N-CA 127.928 2.491 . . . . 0.0 110.581 178.73 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.525 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 67.5 m . . . . . 0 CA--C 1.627 3.925 0 CA-C-O 119.517 -0.278 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 1 C--N 1.446 4.773 0 C-N-CA 125.833 1.653 . . . . 0.0 107.201 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.372 9.7 pt-20 . . . . . 1 N--CA 1.546 4.346 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 . . . . . . . . . 2 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -103.54 141.82 35.36 Favored 'General case' 1 N--CA 1.542 4.16 0 C-N-CA 126.63 1.972 . . . . 0.0 112.554 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -128.19 130.96 48.82 Favored 'General case' 2 N--CA 1.547 4.381 0 O-C-N 124.531 1.144 . . . . 0.0 111.798 -175.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.296 11.5 pt-20 -103.64 110.7 22.87 Favored 'General case' 0 C--N 1.426 3.902 0 C-N-CA 126.302 1.841 . . . . 0.0 112.789 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mt -111.44 145.99 16.96 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.207 0 C-N-CA 124.655 1.182 . . . . 0.0 110.589 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.23 126.54 51.77 Favored 'General case' 2 N--CA 1.551 4.616 0 C-N-CA 127.052 2.141 . . . . 0.0 113.955 173.249 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 N--CA 1.539 4.0 0 C-N-CA 127.436 2.294 . . . . 0.0 113.269 174.789 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.021 0 N-CA-C 115.909 1.124 . . . . 0.0 115.909 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -158.51 167.29 30.03 Favored 'General case' 0 CA--C 1.625 3.836 0 C-N-CA 129.185 2.994 . . . . 0.0 108.771 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.6 m -133.7 145.81 50.23 Favored 'General case' 1 C--N 1.438 4.424 0 C-N-CA 124.357 1.063 . . . . 0.0 110.704 166.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.526 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.538 1.9 pp -119.12 126.2 75.15 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.214 0 N-CA-C 119.476 3.139 . . . . 0.0 119.476 -175.437 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.36 118.4 36.55 Favored 'General case' 1 C--N 1.437 4.388 0 CA-C-N 112.664 -2.062 . . . . 0.0 111.1 -177.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.95 162.67 36.46 Favored Glycine 0 N--CA 1.516 3.983 0 C-N-CA 125.103 1.335 . . . . 0.0 114.295 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.17 139.76 3.27 Favored Glycine 2 C--N 1.417 5.079 0 N-CA-C 118.836 2.294 . . . . 0.0 118.836 -172.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.269 7.0 p -101.47 -40.12 7.21 Favored 'General case' 1 N--CA 1.56 5.043 0 C-N-CA 125.958 1.703 . . . . 0.0 113.286 164.554 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.39 -34.05 8.41 Favored 'General case' 2 C--N 1.433 4.204 0 C-N-CA 126.001 1.72 . . . . 0.0 113.264 177.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 . . . . . 2 C--N 1.446 4.761 0 C-N-CA 126.891 2.076 . . . . 0.0 112.67 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 1 N--CA 1.554 4.765 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.264 2.2 mm -96.09 111.64 26.73 Favored 'Isoleucine or valine' 3 C--N 1.451 4.98 0 C-N-CA 126.083 1.753 . . . . 0.0 108.477 -179.858 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -122.28 149.97 42.98 Favored 'General case' 1 N--CA 1.539 4.005 0 C-N-CA 130.029 3.332 . . . . 0.0 111.801 -170.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.35 141.7 13.94 Favored 'Isoleucine or valine' 2 C--N 1.451 5.02 0 C-N-CA 125.486 1.514 . . . . 0.0 110.17 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.312 3.2 p -145.66 -26.62 0.46 Allowed 'General case' 1 N--CA 1.556 4.834 0 C-N-CA 127.668 2.387 . . . . 0.0 113.573 -177.835 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.278 51.2 tptt -121.83 127.63 50.77 Favored 'General case' 1 C--N 1.465 5.591 0 C-N-CA 124.459 1.103 . . . . 0.0 112.636 177.074 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.619 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.269 42.1 mm -127.41 124.26 63.46 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.285 0 C-N-CA 127.522 2.329 . . . . 0.0 108.102 173.143 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.297 3.7 mp -78.17 131.2 69.98 Favored Pre-proline 2 CA--C 1.682 6.02 0 C-N-CA 126.505 1.922 . . . . 0.0 110.884 171.834 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.93 -22.4 55.86 Favored 'Trans proline' 3 C--N 1.535 10.371 0 C-N-CA 124.231 3.288 . . . . 0.0 117.427 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.82 43.0 1.33 Allowed Glycine 1 C--N 1.43 5.757 0 CA-C-O 118.307 -1.274 . . . . 0.0 115.815 178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.84 -177.97 32.14 Favored Glycine 2 C--N 1.438 6.248 0 C-N-CA 125.362 1.458 . . . . 0.0 115.216 173.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.92 -37.33 29.78 Favored 'General case' 0 N--CA 1.536 3.835 0 C-N-CA 127.887 2.475 . . . . 0.0 115.689 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.65 -22.86 40.13 Favored 'General case' 2 N--CA 1.556 4.829 0 C-N-CA 126.547 1.939 . . . . 0.0 115.739 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.28 -42.59 14.49 Favored 'General case' 1 C--N 1.446 4.783 0 C-N-CA 127.26 2.224 . . . . 0.0 113.401 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -90.94 -57.02 2.95 Favored 'General case' 1 C--N 1.449 4.934 0 C-N-CA 127.164 2.186 . . . . 0.0 114.812 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.04 -33.0 15.69 Favored 'General case' 1 C--N 1.46 5.376 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 -173.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.03 -47.0 5.44 Favored Glycine 2 C--N 1.441 6.372 0 N-CA-C 117.522 1.769 . . . . 0.0 117.522 -173.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.584 98.7 mtt180 88.24 52.57 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.823 0 C-N-CA 130.438 3.495 . . . . 0.0 116.76 -179.192 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tp -111.38 130.49 55.68 Favored 'General case' 0 C--N 1.416 3.471 0 C-N-CA 127.662 2.385 . . . . 0.0 111.494 171.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.41 154.64 24.34 Favored 'General case' 0 N--CA 1.526 3.339 0 C-N-CA 127.724 2.41 . . . . 0.0 110.344 169.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.9 p -54.81 -27.6 18.78 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.424 0 C-N-CA 129.009 2.924 . . . . 0.0 115.896 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.291 28.5 p30 -91.51 8.56 35.91 Favored 'General case' 1 CA--C 1.654 4.972 0 C-N-CA 128.836 2.855 . . . . 0.0 113.942 178.133 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.07 -34.05 22.33 Favored 'General case' 2 C--N 1.491 6.733 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 m 45.49 118.41 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.397 0 C-N-CA 129.047 2.939 . . . . 0.0 116.389 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.516 HG21 HG13 ' A' ' 64' ' ' VAL . 6.0 mt -84.81 127.63 39.69 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.783 0 C-N-CA 124.697 1.199 . . . . 0.0 110.307 -175.22 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.258 1.4 pt? -94.05 -42.9 8.77 Favored 'General case' 1 C--N 1.431 4.138 0 O-C-N 125.139 1.524 . . . . 0.0 112.438 170.477 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -134.44 132.66 39.59 Favored 'General case' 2 C--N 1.448 4.853 0 O-C-N 124.721 1.263 . . . . 0.0 113.831 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.516 HG13 HG21 ' A' ' 61' ' ' ILE 0.512 3.0 m -116.56 136.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.413 3.327 0 C-N-CA 124.97 1.308 . . . . 0.0 113.197 173.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.292 2.0 m120 71.91 -78.04 0.05 Allowed 'General case' 2 N--CA 1.553 4.695 0 C-N-CA 128.912 2.885 . . . . 0.0 112.042 179.389 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -151.71 4.74 0.43 Allowed 'General case' 2 CA--C 1.641 4.48 1 C-N-CA 132.672 4.389 . . . . 0.0 108.625 170.762 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.346 31.6 m -100.75 156.25 4.3 Favored 'Isoleucine or valine' 1 C--N 1.455 5.182 0 C-N-CA 127.915 2.486 . . . . 0.0 115.372 -168.444 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.403 4.4 p30 -85.3 95.8 9.33 Favored 'General case' 0 C--N 1.413 3.35 0 C-N-CA 127.58 2.352 . . . . 0.0 114.714 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.556 3.6 m -93.6 33.07 0.15 Allowed 'Isoleucine or valine' 1 N--CA 1.557 4.911 0 CA-C-O 123.504 1.621 . . . . 0.0 114.482 170.079 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -82.56 -35.71 26.94 Favored 'General case' 0 N--CA 1.532 3.672 0 CA-C-N 111.791 -2.459 . . . . 0.0 112.9 170.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . 0.308 0.1 OUTLIER -159.03 91.52 1.04 Allowed 'General case' 1 C--N 1.492 6.78 0 C-N-CA 128.003 2.521 . . . . 0.0 110.815 179.818 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.279 27.8 m -142.46 166.02 16.24 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.328 0 C-N-CA 126.908 2.083 . . . . 0.0 109.859 175.543 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -76.85 158.07 31.04 Favored 'General case' 1 N--CA 1.56 5.026 0 C-N-CA 125.833 1.653 . . . . 0.0 111.77 167.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -48.98 -54.64 14.74 Favored 'General case' 3 N--CA 1.581 6.078 0 C-N-CA 128.434 2.694 . . . . 0.0 112.392 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -61.58 -34.67 76.0 Favored 'General case' 2 C--N 1.456 5.233 0 C-N-CA 126.751 2.02 . . . . 0.0 113.427 176.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.79 -22.65 62.34 Favored 'General case' 2 C--N 1.46 5.372 0 C-N-CA 128.106 2.562 . . . . 0.0 114.424 174.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.29 -30.55 17.42 Favored 'General case' 1 C--N 1.461 5.426 0 C-N-CA 126.553 1.941 . . . . 0.0 112.926 175.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.99 -41.71 27.58 Favored 'Isoleucine or valine' 3 N--CA 1.583 6.19 0 C-N-CA 127.204 2.201 . . . . 0.0 110.695 174.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.93 -24.0 67.65 Favored 'General case' 2 N--CA 1.598 6.95 0 C-N-CA 128.585 2.754 . . . . 0.0 115.615 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.55 -29.31 63.45 Favored 'General case' 1 C--N 1.43 4.078 0 C-N-CA 126.479 1.911 . . . . 0.0 111.751 168.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.253 12.4 mt -94.37 -25.72 16.84 Favored 'General case' 1 C--N 1.453 5.105 0 C-N-CA 127.868 2.467 . . . . 0.0 116.344 179.81 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -90.28 -36.72 14.54 Favored 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 127.156 2.183 . . . . 0.0 113.586 174.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.267 39.8 mt-10 -90.52 -16.84 28.11 Favored 'General case' 2 N--CA 1.597 6.901 0 N-CA-C 120.048 3.351 . . . . 0.0 120.048 -176.544 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.55 -22.46 13.23 Favored 'General case' 3 N--CA 1.6 7.063 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.99 -35.01 4.91 Favored Glycine 1 C--N 1.424 5.43 0 N-CA-C 120.092 2.797 . . . . 0.0 120.092 164.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 t -175.25 -30.75 0.01 OUTLIER 'General case' 1 N--CA 1.577 5.881 0 C-N-CA 128.426 2.69 . . . . 0.0 110.935 -175.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.288 36.4 mm -126.44 129.7 71.84 Favored 'Isoleucine or valine' 1 C--N 1.44 4.506 0 C-N-CA 125.641 1.576 . . . . 0.0 109.1 179.34 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.365 22.0 m -123.32 123.59 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.596 0 C-N-CA 127.901 2.48 . . . . 0.0 112.365 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.411 34.0 ptt180 -111.83 124.82 53.16 Favored 'General case' 1 N--CA 1.544 4.245 0 C-N-CA 126.286 1.834 . . . . 0.0 114.884 -179.899 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 139.22 48.91 Favored 'General case' 0 N--CA 1.523 3.176 0 C-N-CA 128.095 2.558 . . . . 0.0 113.414 177.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -119.47 111.1 17.7 Favored 'General case' 0 C--O 1.302 3.852 0 C-N-CA 126.801 2.04 . . . . 0.0 110.498 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.256 32.9 m -106.53 160.96 5.88 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.471 0 O-C-N 126.535 2.397 . . . . 0.0 115.008 -174.781 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.338 0.0 OUTLIER -122.16 115.71 22.9 Favored 'General case' 1 N--CA 1.561 5.1 0 C-N-CA 127.272 2.229 . . . . 0.0 113.306 -177.926 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 . . . . . 0 N--CA 1.535 3.789 0 C-N-CA 127.601 2.361 . . . . 0.0 111.652 -178.246 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.526 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 67.9 m . . . . . 2 N--CA 1.56 5.074 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 2 N--CA 1.553 4.709 0 C-N-CA 126.637 1.975 . . . . 0.0 109.184 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.362 11.1 pt-20 . . . . . 1 N--CA 1.551 4.618 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 . . . . . . . . . 2 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -108.13 145.22 34.44 Favored 'General case' 1 N--CA 1.55 4.541 0 C-N-CA 126.242 1.817 . . . . 0.0 113.12 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -130.7 135.68 48.05 Favored 'General case' 2 C--N 1.439 4.493 0 C-N-CA 124.937 1.295 . . . . 0.0 111.078 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.283 11.7 pt-20 -107.2 113.96 27.71 Favored 'General case' 0 C--N 1.426 3.902 0 C-N-CA 126.442 1.897 . . . . 0.0 112.659 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt -113.06 141.75 27.68 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.13 0 C-N-CA 124.673 1.189 . . . . 0.0 110.286 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.262 0.6 OUTLIER -113.18 123.03 49.26 Favored 'General case' 1 N--CA 1.54 4.04 0 C-N-CA 126.738 2.015 . . . . 0.0 113.09 170.703 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 mt . . . . . 0 N--CA 1.523 3.206 0 C-N-CA 127.601 2.36 . . . . 0.0 112.285 176.762 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.497 2.753 0 N-CA-C 116.719 1.447 . . . . 0.0 116.719 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -159.91 170.84 20.53 Favored 'General case' 2 C--N 1.458 5.298 0 C-N-CA 127.356 2.262 . . . . 0.0 110.687 172.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.492 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 72.9 m -140.62 142.78 35.0 Favored 'General case' 1 C--N 1.45 4.966 0 C-N-CA 126.165 1.786 . . . . 0.0 110.053 166.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.397 0.1 OUTLIER -110.67 132.37 59.27 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.007 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -176.901 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.47 118.1 35.72 Favored 'General case' 1 C--N 1.452 5.042 0 O-C-N 124.898 1.374 . . . . 0.0 110.911 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.59 155.89 26.86 Favored Glycine 0 C--N 1.386 3.318 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.434 -175.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.05 140.54 3.51 Favored Glycine 1 C--N 1.398 4.018 0 N-CA-C 118.352 2.101 . . . . 0.0 118.352 -172.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 9.3 p -100.69 -35.45 9.47 Favored 'General case' 1 N--CA 1.558 4.939 0 C-N-CA 126.196 1.799 . . . . 0.0 113.382 165.973 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -104.0 -36.7 7.65 Favored 'General case' 1 C--N 1.434 4.251 0 C-N-CA 125.608 1.563 . . . . 0.0 113.2 177.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 2 CA--C 1.678 5.89 0 C-N-CA 127.134 2.174 . . . . 0.0 110.652 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.7 m . . . . . 1 N--CA 1.566 5.33 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.253 0.5 OUTLIER -97.05 125.11 50.15 Favored 'Isoleucine or valine' 2 C--N 1.451 4.978 0 C-N-CA 125.963 1.705 . . . . 0.0 109.535 -178.895 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . 0.314 20.3 p90 -141.91 157.83 44.51 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 128.034 2.533 . . . . 0.0 113.589 -177.483 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -84.06 144.71 9.37 Favored 'Isoleucine or valine' 2 C--N 1.447 4.846 0 C-N-CA 126.96 2.104 . . . . 0.0 111.187 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.303 5.9 p -147.61 -29.2 0.34 Allowed 'General case' 1 N--CA 1.549 4.48 0 C-N-CA 128.063 2.545 . . . . 0.0 113.659 -178.386 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.2 tmtm? -122.15 124.89 44.93 Favored 'General case' 1 C--N 1.475 6.033 0 O-C-N 123.644 0.59 . . . . 0.0 111.103 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.625 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 40.3 mm -123.53 128.74 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.38 0 C-N-CA 127.179 2.192 . . . . 0.0 108.222 173.289 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.305 3.9 mp -80.68 134.42 54.03 Favored Pre-proline 2 CA--C 1.682 6.039 0 C-N-CA 125.72 1.608 . . . . 0.0 111.477 172.756 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -66.37 -23.24 51.5 Favored 'Trans proline' 3 C--N 1.537 10.498 0 C-N-CA 124.22 3.28 . . . . 0.0 117.607 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.41 43.92 1.25 Allowed Glycine 1 C--N 1.43 5.753 0 CA-C-O 118.264 -1.298 . . . . 0.0 115.673 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.443 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -101.75 -177.25 28.27 Favored Glycine 2 C--N 1.434 6.003 0 C-N-CA 125.577 1.561 . . . . 0.0 115.839 175.064 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.42 -35.36 35.25 Favored 'General case' 0 N--CA 1.538 3.965 0 C-N-CA 128.025 2.53 . . . . 0.0 115.814 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.4 38.4 Favored 'General case' 2 N--CA 1.555 4.778 0 C-N-CA 126.539 1.936 . . . . 0.0 116.159 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.69 -41.32 14.28 Favored 'General case' 1 C--N 1.442 4.589 0 C-N-CA 127.082 2.153 . . . . 0.0 113.639 177.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -90.91 -56.73 3.06 Favored 'General case' 2 C--N 1.449 4.897 0 C-N-CA 126.96 2.104 . . . . 0.0 114.653 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -90.93 -33.12 15.72 Favored 'General case' 1 C--N 1.46 5.398 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -174.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.48 -48.95 4.33 Favored Glycine 2 C--N 1.441 6.372 0 N-CA-C 117.657 1.823 . . . . 0.0 117.657 -173.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.537 99.2 mtt180 88.01 50.57 0.01 OUTLIER 'General case' 2 N--CA 1.582 6.166 0 C-N-CA 130.425 3.49 . . . . 0.0 116.26 -179.209 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.62 127.85 55.87 Favored 'General case' 0 C--N 1.42 3.666 0 C-N-CA 127.647 2.379 . . . . 0.0 111.958 172.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -111.76 160.42 17.33 Favored 'General case' 0 N--CA 1.532 3.631 0 C-N-CA 128.171 2.588 . . . . 0.0 110.59 170.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG13 HG12 ' A' ' 43' ' ' ILE 0.276 2.9 m -52.63 -29.85 14.26 Favored 'Isoleucine or valine' 1 N--CA 1.629 8.494 0 C-N-CA 127.704 2.401 . . . . 0.0 116.07 175.047 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -90.58 7.94 36.65 Favored 'General case' 1 CA--C 1.667 5.454 0 C-N-CA 128.992 2.917 . . . . 0.0 112.098 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.33 -35.93 15.82 Favored 'General case' 2 C--N 1.49 6.674 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m 45.96 118.23 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.704 0 C-N-CA 129.393 3.077 . . . . 0.0 116.394 175.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.591 HG21 HG23 ' A' ' 64' ' ' VAL 0.251 7.7 mt -85.33 131.15 34.92 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.2 0 C-N-CA 124.381 1.072 . . . . 0.0 110.657 -175.68 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -95.86 -45.04 7.13 Favored 'General case' 0 C--N 1.427 3.958 0 O-C-N 125.203 1.565 . . . . 0.0 112.45 168.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -131.09 121.6 25.24 Favored 'General case' 1 C--N 1.453 5.087 0 O-C-N 124.944 1.403 . . . . 0.0 113.432 -175.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.591 HG23 HG21 ' A' ' 61' ' ' ILE 0.381 2.1 p -120.45 129.57 75.41 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.92 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -176.011 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.3 t30 73.2 3.19 4.58 Favored 'General case' 2 N--CA 1.622 8.15 0 C-N-CA 129.005 2.922 . . . . 0.0 111.25 -170.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.409 45.0 mt-10 84.3 15.26 0.24 Allowed 'General case' 3 N--CA 1.573 5.724 0 C-N-CA 131.204 3.802 . . . . 0.0 112.202 -160.882 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 64' ' ' VAL 0.359 4.6 m -92.2 155.87 3.07 Favored 'Isoleucine or valine' 1 C--N 1.474 6.004 0 C-N-CA 126.606 1.963 . . . . 0.0 112.917 -178.42 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.79 99.28 11.99 Favored 'General case' 0 CA--C 1.608 3.192 0 O-C-N 126.029 2.081 . . . . 0.0 111.114 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.502 29.0 m -93.21 -17.33 7.41 Favored 'Isoleucine or valine' 1 N--CA 1.559 4.977 0 CA-C-N 111.644 -2.525 . . . . 0.0 116.843 177.205 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.374 38.6 ptt180 -44.04 -26.18 0.27 Allowed 'General case' 2 N--CA 1.589 6.498 0 N-CA-C 118.68 2.844 . . . . 0.0 118.68 -177.145 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -145.96 78.07 1.51 Allowed 'General case' 1 C--N 1.442 4.614 0 C-N-CA 129.395 3.078 . . . . 0.0 108.864 175.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.549 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.289 17.7 m -142.04 162.65 19.66 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.64 0 C-N-CA 126.729 2.012 . . . . 0.0 110.858 178.327 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 p -78.44 164.42 24.78 Favored 'General case' 1 N--CA 1.57 5.54 0 C-N-CA 126.706 2.002 . . . . 0.0 111.489 167.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.253 11.7 p80 -52.99 -51.29 62.11 Favored 'General case' 2 N--CA 1.597 6.898 0 C-N-CA 126.176 1.79 . . . . 0.0 113.869 175.892 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.1 p -56.85 -37.84 71.85 Favored 'General case' 2 N--CA 1.558 4.955 0 C-N-CA 127.321 2.248 . . . . 0.0 114.139 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.88 -22.8 62.23 Favored 'General case' 2 C--N 1.446 4.77 0 C-N-CA 128.979 2.912 . . . . 0.0 114.476 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.46 -29.53 17.89 Favored 'General case' 1 C--N 1.459 5.34 0 C-N-CA 127.184 2.194 . . . . 0.0 113.352 174.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.46 -40.75 29.05 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.561 0 C-N-CA 127.714 2.406 . . . . 0.0 110.447 173.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.08 -21.78 66.41 Favored 'General case' 2 N--CA 1.595 6.799 0 C-N-CA 128.944 2.897 . . . . 0.0 115.774 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.2 61.52 Favored 'General case' 0 C--N 1.422 3.744 0 C-N-CA 126.938 2.095 . . . . 0.0 111.44 169.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.448 ' HA ' HG21 ' A' ' 88' ' ' VAL 0.258 15.4 mt -92.53 -38.13 12.11 Favored 'General case' 1 C--N 1.46 5.412 0 C-N-CA 127.521 2.328 . . . . 0.0 115.882 178.54 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -79.36 -35.02 41.51 Favored 'General case' 1 N--CA 1.546 4.361 0 C-N-CA 128.159 2.584 . . . . 0.0 113.264 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.29 40.8 mt-10 -87.28 -23.56 24.64 Favored 'General case' 2 N--CA 1.593 6.68 0 N-CA-C 119.754 3.242 . . . . 0.0 119.754 -177.664 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -23.89 64.06 Favored 'General case' 3 N--CA 1.59 6.556 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.35 -35.02 5.18 Favored Glycine 1 C--N 1.425 5.515 0 N-CA-C 120.188 2.835 . . . . 0.0 120.188 166.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.8 t -167.77 -33.12 0.02 OUTLIER 'General case' 1 N--CA 1.553 4.7 0 C-N-CA 127.715 2.406 . . . . 0.0 111.504 -172.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.3 26.4 mm -125.78 116.26 45.6 Favored 'Isoleucine or valine' 2 C--N 1.444 4.682 0 C-N-CA 125.262 1.425 . . . . 0.0 109.534 -175.876 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.448 HG21 ' HA ' ' A' ' 81' ' ' LEU 0.327 0.8 OUTLIER -120.94 125.36 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.148 0 C-N-CA 128.638 2.775 . . . . 0.0 111.559 -176.191 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.4 30.2 ptt180 -117.68 102.0 8.79 Favored 'General case' 1 N--CA 1.564 5.265 0 C-N-CA 126.637 1.975 . . . . 0.0 115.731 -174.486 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.49 137.39 34.61 Favored 'General case' 0 C--N 1.416 3.492 0 C-N-CA 127.028 2.131 . . . . 0.0 113.947 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -117.45 112.33 20.51 Favored 'General case' 0 C--O 1.305 3.999 0 C-N-CA 126.722 2.009 . . . . 0.0 110.765 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.268 35.0 m -106.11 159.66 6.05 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.176 0 O-C-N 126.719 2.512 . . . . 0.0 115.249 -174.434 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.302 26.0 ptt? -125.15 117.15 23.26 Favored 'General case' 1 N--CA 1.563 5.196 0 C-N-CA 127.778 2.431 . . . . 0.0 114.09 -175.349 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 . . . . . 0 CA--C 1.616 3.497 0 C-N-CA 127.91 2.484 . . . . 0.0 108.666 178.359 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 2 CA--C 1.643 4.523 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.262 2.9 t . . . . . 2 N--CA 1.552 4.632 0 C-N-CA 126.786 2.034 . . . . 0.0 109.651 -174.373 . . . . . . . . 2 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.353 10.3 pt-20 . . . . . 0 N--CA 1.538 3.937 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -100.55 142.27 32.26 Favored 'General case' 1 N--CA 1.543 4.195 0 C-N-CA 126.521 1.928 . . . . 0.0 113.314 -174.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -127.08 132.86 50.56 Favored 'General case' 1 C--N 1.432 4.195 0 C-N-CA 124.748 1.219 . . . . 0.0 110.78 -177.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.294 11.7 pt-20 -105.96 112.72 25.89 Favored 'General case' 0 C--N 1.42 3.657 0 C-N-CA 126.442 1.897 . . . . 0.0 112.595 175.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -111.64 139.24 36.87 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.623 0 C-N-CA 124.726 1.21 . . . . 0.0 109.265 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.8 m -121.57 121.06 36.59 Favored 'General case' 0 N--CA 1.529 3.478 0 C-N-CA 126.003 1.721 . . . . 0.0 108.284 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt . . . . . 0 C--N 1.403 2.9 0 C-N-CA 127.372 2.269 . . . . 0.0 111.537 179.045 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.516 3.985 0 N-CA-C 117.009 1.564 . . . . 0.0 117.009 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -154.96 169.17 24.7 Favored 'General case' 1 C--N 1.449 4.921 0 C-N-CA 127.315 2.246 . . . . 0.0 109.932 176.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 70.8 m -136.2 143.24 44.27 Favored 'General case' 1 C--N 1.444 4.699 0 C-N-CA 125.208 1.403 . . . . 0.0 110.484 169.229 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.544 2.1 pp -120.82 125.82 74.51 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.676 0 N-CA-C 119.444 3.127 . . . . 0.0 119.444 -176.788 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.26 131.85 49.99 Favored 'General case' 1 C--N 1.442 4.59 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.156 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.74 167.58 33.68 Favored Glycine 1 N--CA 1.519 4.178 0 C-N-CA 125.338 1.446 . . . . 0.0 113.642 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.37 125.22 0.87 Allowed Glycine 1 C--N 1.403 4.254 0 N-CA-C 119.444 2.538 . . . . 0.0 119.444 176.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.279 16.3 p -96.86 -30.42 13.15 Favored 'General case' 1 N--CA 1.566 5.355 0 C-N-CA 125.083 1.353 . . . . 0.0 113.019 162.3 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -109.77 -37.15 5.73 Favored 'General case' 1 C--N 1.436 4.345 0 C-N-CA 124.797 1.239 . . . . 0.0 112.965 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 . . . . . 2 CA--C 1.649 4.772 0 C-N-CA 126.944 2.097 . . . . 0.0 114.04 -178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 1 N--CA 1.559 4.988 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.602 ' CB ' ' CA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -89.95 128.7 41.75 Favored 'Isoleucine or valine' 3 CA--C 1.662 5.273 0 C-N-CA 128.049 2.54 . . . . 0.0 108.74 175.765 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -141.67 166.45 24.7 Favored 'General case' 2 C--O 1.33 5.324 0 C-N-CA 126.907 2.083 . . . . 0.0 110.781 175.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -87.86 139.87 16.68 Favored 'Isoleucine or valine' 1 C--N 1.466 5.663 0 C-N-CA 126.435 1.894 . . . . 0.0 108.209 169.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 6.3 p -142.94 -25.95 0.6 Allowed 'General case' 1 N--CA 1.553 4.715 0 C-N-CA 127.307 2.243 . . . . 0.0 113.485 -175.064 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 10.2 tmtt? -128.4 128.42 44.44 Favored 'General case' 1 C--N 1.475 6.051 0 C-N-CA 123.482 0.713 . . . . 0.0 111.156 178.32 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.624 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.273 46.0 mm -124.37 130.68 73.53 Favored 'Isoleucine or valine' 0 C--N 1.414 3.379 0 C-N-CA 127.056 2.142 . . . . 0.0 108.577 174.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.3 mp -86.54 129.66 52.17 Favored Pre-proline 1 CA--C 1.679 5.941 0 C-N-CA 126.22 1.808 . . . . 0.0 110.263 173.436 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.75 -21.81 69.59 Favored 'Trans proline' 3 C--N 1.538 10.551 0 C-N-CA 124.436 3.424 . . . . 0.0 117.888 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.06 38.94 1.93 Allowed Glycine 1 C--N 1.428 5.676 0 CA-C-O 118.068 -1.407 . . . . 0.0 116.14 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.16 -177.8 38.97 Favored Glycine 2 C--N 1.442 6.449 0 C-N-CA 125.232 1.396 . . . . 0.0 116.35 174.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.99 -37.66 28.88 Favored 'General case' 0 N--CA 1.536 3.858 0 C-N-CA 128.686 2.794 . . . . 0.0 115.589 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.68 -25.76 35.26 Favored 'General case' 2 N--CA 1.555 4.81 0 C-N-CA 127.826 2.451 . . . . 0.0 115.851 177.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 -40.97 19.11 Favored 'General case' 1 C--N 1.45 4.965 0 C-N-CA 127.535 2.334 . . . . 0.0 113.323 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -90.7 -58.14 2.58 Favored 'General case' 1 C--N 1.451 4.983 0 C-N-CA 127.329 2.251 . . . . 0.0 114.23 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.39 -29.31 17.15 Favored 'General case' 2 C--N 1.46 5.371 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -37.44 13.19 Favored Glycine 2 C--N 1.438 6.242 0 N-CA-C 118.14 2.016 . . . . 0.0 118.14 -172.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.411 32.1 mmt180 87.46 17.34 0.08 Allowed 'General case' 2 N--CA 1.595 6.8 0 C-N-CA 130.094 3.358 . . . . 0.0 115.736 179.258 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 tp -90.69 127.82 36.43 Favored 'General case' 1 C--N 1.436 4.348 0 C-N-CA 126.786 2.034 . . . . 0.0 112.941 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.06 155.15 23.21 Favored 'General case' 0 N--CA 1.522 3.172 0 C-N-CA 128.369 2.668 . . . . 0.0 110.2 172.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.3 -26.66 22.64 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.1 0 C-N-CA 128.91 2.884 . . . . 0.0 115.944 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -91.85 8.85 35.36 Favored 'General case' 1 CA--C 1.67 5.579 0 C-N-CA 128.733 2.813 . . . . 0.0 112.305 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.37 -33.77 21.93 Favored 'General case' 2 C--N 1.489 6.647 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.26 68.8 m 45.94 120.09 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.401 0 C-N-CA 129.826 3.25 . . . . 0.0 116.811 175.719 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.592 HG21 HG13 ' A' ' 64' ' ' VAL . 10.3 mt -83.88 130.78 35.3 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.924 0 C-N-CA 124.892 1.277 . . . . 0.0 110.686 -176.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.269 1.5 pt? -96.0 -45.75 6.79 Favored 'General case' 1 C--N 1.433 4.202 0 O-C-N 125.295 1.622 . . . . 0.0 112.558 167.842 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.65 132.15 45.28 Favored 'General case' 2 C--N 1.449 4.923 0 O-C-N 124.764 1.29 . . . . 0.0 114.382 -176.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.592 HG13 HG21 ' A' ' 61' ' ' ILE 0.554 1.1 m -118.73 131.5 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.828 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 175.499 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.259 12.8 t-20 77.12 -74.15 0.08 Allowed 'General case' 2 N--CA 1.571 5.592 0 C-N-CA 130.78 3.632 . . . . 0.0 108.937 -176.07 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -156.92 5.03 0.15 Allowed 'General case' 1 CA--C 1.671 5.604 1 C-N-CA 132.565 4.346 . . . . 0.0 106.884 171.074 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 64' ' ' VAL 0.392 5.5 m -92.93 154.83 3.17 Favored 'Isoleucine or valine' 1 C--N 1.463 5.523 0 C-N-CA 127.897 2.479 . . . . 0.0 115.218 -169.687 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.06 100.38 12.6 Favored 'General case' 0 C--N 1.41 3.199 0 CA-C-N 111.89 -2.414 . . . . 0.0 111.51 -175.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.384 0.9 OUTLIER -103.81 19.28 4.01 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.032 0 C-N-CA 127.409 2.284 . . . . 0.0 112.235 177.389 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.93 -28.06 61.33 Favored 'General case' 1 N--CA 1.548 4.445 0 C-N-CA 128.227 2.611 . . . . 0.0 113.145 171.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -159.64 84.51 0.76 Allowed 'General case' 1 C--N 1.477 6.11 0 C-N-CA 127.985 2.514 . . . . 0.0 110.206 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.281 35.2 m -146.72 169.14 5.24 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.354 0 C-N-CA 127.248 2.219 . . . . 0.0 110.909 176.905 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -80.21 161.66 25.07 Favored 'General case' 1 N--CA 1.56 5.036 0 C-N-CA 126.654 1.982 . . . . 0.0 110.548 166.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.274 19.5 p80 -53.46 -50.73 64.67 Favored 'General case' 2 N--CA 1.604 7.265 0 C-N-CA 125.038 1.335 . . . . 0.0 114.312 177.033 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.3 p -56.06 -37.32 69.12 Favored 'General case' 2 N--CA 1.556 4.858 0 C-N-CA 127.562 2.345 . . . . 0.0 114.167 175.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.26 -23.75 62.04 Favored 'General case' 1 C--N 1.447 4.813 0 C-N-CA 129.015 2.926 . . . . 0.0 114.396 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.46 -29.52 17.9 Favored 'General case' 1 C--N 1.461 5.454 0 C-N-CA 126.54 1.936 . . . . 0.0 113.117 174.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -74.67 -40.8 47.79 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.828 0 C-N-CA 127.645 2.378 . . . . 0.0 110.566 173.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -61.39 -26.12 67.64 Favored 'General case' 2 N--CA 1.574 5.746 0 C-N-CA 129.37 3.068 . . . . 0.0 115.117 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.37 -27.79 62.62 Favored 'General case' 1 C--N 1.442 4.625 0 C-N-CA 128.212 2.605 . . . . 0.0 112.141 170.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -92.12 -31.23 15.59 Favored 'General case' 1 C--N 1.455 5.162 0 C-N-CA 127.822 2.449 . . . . 0.0 115.313 178.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -83.24 -24.97 32.1 Favored 'General case' 0 N--CA 1.53 3.528 0 C-N-CA 127.795 2.438 . . . . 0.0 113.003 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.392 10.7 pt-20 -72.86 -45.54 57.73 Favored 'General case' 2 N--CA 1.58 6.029 0 N-CA-C 118.856 2.91 . . . . 0.0 118.856 175.387 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -19.84 63.55 Favored 'General case' 3 C--N 1.451 5.003 0 C-N-CA 126.42 1.888 . . . . 0.0 115.502 -174.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.09 -34.61 1.94 Allowed Glycine 1 C--N 1.42 5.226 0 N-CA-C 122.385 3.714 . . . . 0.0 122.385 168.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -154.74 -32.24 0.1 Allowed 'General case' 0 N--CA 1.539 3.996 0 C-N-CA 127.025 2.13 . . . . 0.0 111.942 -169.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 1.621 ' CA ' ' CB ' ' A' ' 87' ' ' ILE 0.294 40.5 mm -129.47 105.15 12.02 Favored 'Isoleucine or valine' 2 C--N 1.435 4.318 0 C-N-CA 125.57 1.548 . . . . 0.0 109.003 -176.091 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.307 0.0 OUTLIER -113.08 120.06 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.431 0 O-C-N 125.673 1.858 . . . . 0.0 114.092 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HB3' HG23 ' A' ' 11' ' ' THR 0.4 36.7 ptt180 -112.6 108.23 17.23 Favored 'General case' 1 N--CA 1.554 4.754 0 C-N-CA 126.3 1.84 . . . . 0.0 115.257 -177.163 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.42 141.82 32.75 Favored 'General case' 0 N--CA 1.53 3.546 0 C-N-CA 128.724 2.809 . . . . 0.0 113.895 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -119.31 112.6 19.65 Favored 'General case' 0 C--O 1.302 3.84 0 C-N-CA 126.624 1.97 . . . . 0.0 111.108 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.276 34.3 m -106.99 159.93 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.418 0 O-C-N 126.687 2.492 . . . . 0.0 115.319 -174.952 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.304 25.4 ptt? -124.02 117.82 25.6 Favored 'General case' 1 N--CA 1.566 5.368 0 C-N-CA 127.56 2.344 . . . . 0.0 114.495 -175.501 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 . . . . . 1 N--CA 1.54 4.052 0 C-N-CA 127.779 2.432 . . . . 0.0 110.234 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 2 CA--C 1.649 4.771 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 2 N--CA 1.552 4.643 0 C-N-CA 127.112 2.165 . . . . 0.0 108.819 -174.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.329 10.1 pt-20 . . . . . 1 N--CA 1.547 4.383 0 CA-C-O 120.69 0.281 . . . . 0.0 111.356 . . . . . . . . . 2 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -95.44 145.68 24.98 Favored 'General case' 1 N--CA 1.558 4.926 0 C-N-CA 126.538 1.935 . . . . 0.0 114.061 -171.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -128.06 132.81 49.03 Favored 'General case' 2 C--N 1.445 4.745 0 C-N-CA 124.699 1.2 . . . . 0.0 111.3 -177.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.285 11.6 pt-20 -106.91 113.26 26.63 Favored 'General case' 0 N--CA 1.536 3.864 0 C-N-CA 126.627 1.971 . . . . 0.0 112.474 175.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mt -113.23 143.49 22.81 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.927 0 C-N-CA 125.414 1.486 . . . . 0.0 110.475 -177.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.261 0.5 OUTLIER -111.57 122.22 47.23 Favored 'General case' 0 N--CA 1.538 3.931 0 C-N-CA 127.005 2.122 . . . . 0.0 113.243 170.11 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.525 3.311 0 C-N-CA 127.676 2.39 . . . . 0.0 112.62 175.3 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.525 4.576 0 N-CA-C 115.953 1.141 . . . . 0.0 115.953 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -156.16 166.19 34.17 Favored 'General case' 1 C--N 1.44 4.503 0 C-N-CA 128.759 2.824 . . . . 0.0 108.958 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.577 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.1 m -132.59 145.36 51.04 Favored 'General case' 1 C--N 1.441 4.567 0 C-N-CA 124.402 1.081 . . . . 0.0 111.462 169.024 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.479 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.583 2.0 pp -120.0 125.43 74.25 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.687 0 N-CA-C 120.121 3.378 . . . . 0.0 120.121 -175.153 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.67 119.37 39.24 Favored 'General case' 1 C--N 1.44 4.529 0 CA-C-N 113.348 -1.751 . . . . 0.0 112.848 -175.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.25 161.5 27.68 Favored Glycine 0 C--N 1.389 3.506 0 C-N-CA 125.496 1.522 . . . . 0.0 113.809 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.76 151.83 8.73 Favored Glycine 1 N--CA 1.523 4.498 0 N-CA-C 117.086 1.594 . . . . 0.0 117.086 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.266 12.2 p -98.41 -39.63 8.68 Favored 'General case' 1 N--CA 1.567 5.412 0 C-N-CA 126.161 1.784 . . . . 0.0 113.685 169.894 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.82 -36.85 8.93 Favored 'General case' 1 C--N 1.43 4.07 0 C-N-CA 126.19 1.796 . . . . 0.0 112.771 175.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.0 m120 . . . . . 2 C--N 1.448 4.883 0 C-N-CA 127.184 2.194 . . . . 0.0 111.474 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.6 p . . . . . 1 N--CA 1.567 5.391 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.585 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.254 0.5 OUTLIER -99.66 129.23 50.54 Favored 'Isoleucine or valine' 3 C--N 1.446 4.762 0 C-N-CA 126.024 1.729 . . . . 0.0 109.916 -179.427 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -132.66 156.83 46.25 Favored 'General case' 2 N--CA 1.549 4.508 0 C-N-CA 128.227 2.611 . . . . 0.0 111.457 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mm -84.23 144.61 9.53 Favored 'Isoleucine or valine' 2 C--N 1.463 5.514 0 C-N-CA 125.86 1.664 . . . . 0.0 109.491 169.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.274 2.6 p -146.01 -28.39 0.42 Allowed 'General case' 1 N--CA 1.558 4.93 0 C-N-CA 127.667 2.387 . . . . 0.0 113.273 -177.804 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.577 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.273 51.9 tptt -121.58 127.26 50.73 Favored 'General case' 1 C--N 1.463 5.519 0 C-N-CA 124.573 1.149 . . . . 0.0 113.1 177.853 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.624 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 42.9 mm -126.64 125.56 67.28 Favored 'Isoleucine or valine' 0 C--N 1.412 3.322 0 C-N-CA 127.442 2.297 . . . . 0.0 108.133 171.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.566 ' CB ' ' CA ' ' A' ' 44' ' ' ILE 0.29 2.9 mp -81.4 127.72 72.5 Favored Pre-proline 2 CA--C 1.681 5.999 0 C-N-CA 127.246 2.219 . . . . 0.0 110.424 172.461 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -62.86 -21.75 73.34 Favored 'Trans proline' 3 C--N 1.541 10.683 0 C-N-CA 124.347 3.364 . . . . 0.0 117.74 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.48 36.74 2.4 Favored Glycine 1 C--N 1.428 5.664 0 CA-C-O 117.941 -1.477 . . . . 0.0 116.221 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.79 -178.75 40.66 Favored Glycine 3 C--N 1.447 6.736 0 C-N-CA 124.971 1.272 . . . . 0.0 116.005 173.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.13 -37.57 28.64 Favored 'General case' 0 N--CA 1.535 3.795 0 C-N-CA 128.584 2.753 . . . . 0.0 115.616 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.65 -19.5 41.59 Favored 'General case' 2 N--CA 1.562 5.161 0 C-N-CA 126.816 2.047 . . . . 0.0 116.269 176.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.64 -42.13 12.2 Favored 'General case' 1 C--N 1.442 4.63 0 C-N-CA 127.46 2.304 . . . . 0.0 113.543 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.33 -55.48 3.58 Favored 'General case' 2 C--N 1.452 5.027 0 C-N-CA 126.849 2.06 . . . . 0.0 114.09 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.23 -24.16 19.97 Favored 'General case' 2 C--N 1.457 5.254 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -178.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.44 -43.15 5.31 Favored Glycine 2 C--N 1.439 6.289 0 N-CA-C 117.602 1.801 . . . . 0.0 117.602 -174.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.429 95.1 mtt180 90.27 10.96 0.06 Allowed 'General case' 2 N--CA 1.603 7.177 0 C-N-CA 130.384 3.474 . . . . 0.0 116.244 179.828 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.42 125.25 32.85 Favored 'General case' 1 C--N 1.436 4.368 0 C-N-CA 126.83 2.052 . . . . 0.0 113.905 179.311 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -111.66 161.32 16.37 Favored 'General case' 0 N--CA 1.533 3.677 0 C-N-CA 128.624 2.77 . . . . 0.0 111.175 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.563 HG13 HG12 ' A' ' 43' ' ' ILE 0.29 4.2 m -51.41 -30.62 10.88 Favored 'Isoleucine or valine' 2 N--CA 1.626 8.366 0 C-N-CA 128.116 2.567 . . . . 0.0 116.438 176.196 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.276 3.2 p-10 -90.09 7.79 36.02 Favored 'General case' 1 CA--C 1.652 4.896 0 C-N-CA 128.679 2.792 . . . . 0.0 113.637 -177.931 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.36 -37.4 14.04 Favored 'General case' 2 C--N 1.49 6.693 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 178.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.263 23.2 t 46.76 120.98 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.413 0 C-N-CA 129.517 3.127 . . . . 0.0 116.043 177.247 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 mt -86.47 125.37 40.75 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.936 0 C-N-CA 124.761 1.224 . . . . 0.0 109.628 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.253 1.4 pt? -93.54 -45.27 7.82 Favored 'General case' 0 C--N 1.424 3.815 0 O-C-N 125.395 1.684 . . . . 0.0 112.151 169.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -130.6 130.1 43.59 Favored 'General case' 1 C--N 1.447 4.838 0 O-C-N 125.126 1.517 . . . . 0.0 113.403 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.457 HG11 HD22 ' A' ' 81' ' ' LEU 0.338 0.1 OUTLIER -120.92 132.51 70.22 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.681 0 O-C-N 123.435 0.459 . . . . 0.0 109.852 176.697 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 72.58 1.48 4.0 Favored 'General case' 3 N--CA 1.612 7.635 0 C-N-CA 129.961 3.304 . . . . 0.0 112.23 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.388 47.4 mt-10 89.17 5.51 0.15 Allowed 'General case' 3 N--CA 1.585 6.302 0 C-N-CA 131.013 3.725 . . . . 0.0 112.076 -160.635 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 64' ' ' VAL 0.386 3.3 m -85.75 153.24 3.5 Favored 'Isoleucine or valine' 1 C--N 1.471 5.871 0 C-N-CA 127.565 2.346 . . . . 0.0 113.15 -179.721 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.444 4.4 p-10 -86.98 93.1 9.25 Favored 'General case' 0 C--N 1.399 2.722 0 O-C-N 126.237 2.211 . . . . 0.0 114.337 -174.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.345 1.0 OUTLIER -92.29 -7.45 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.626 3.888 0 C-N-CA 127.81 2.444 . . . . 0.0 113.383 179.092 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -62.79 -13.5 34.01 Favored 'General case' 2 CA--C 1.673 5.707 0 C-N-CA 128.277 2.631 . . . . 0.0 113.835 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -158.96 78.31 0.76 Allowed 'General case' 2 C--N 1.457 5.272 0 C-N-CA 127.597 2.359 . . . . 0.0 108.045 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.255 35.1 m -145.54 163.33 11.69 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.571 0 C-N-CA 127.69 2.396 . . . . 0.0 110.745 178.999 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.47 163.46 26.32 Favored 'General case' 1 N--CA 1.56 5.06 0 C-N-CA 126.475 1.91 . . . . 0.0 112.065 165.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -47.25 -58.16 4.4 Favored 'General case' 4 N--CA 1.578 5.949 0 C-N-CA 129.214 3.006 . . . . 0.0 112.792 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.4 t -63.49 -30.55 71.65 Favored 'General case' 2 C--N 1.455 5.16 0 C-N-CA 126.571 1.948 . . . . 0.0 112.712 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.74 -22.37 58.84 Favored 'General case' 1 C--N 1.458 5.309 0 C-N-CA 128.371 2.668 . . . . 0.0 114.012 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.1 -29.06 18.58 Favored 'General case' 1 C--N 1.469 5.788 0 C-N-CA 125.719 1.608 . . . . 0.0 112.788 172.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.8 t -72.41 -38.84 61.82 Favored 'Isoleucine or valine' 3 N--CA 1.605 7.325 0 C-N-CA 127.152 2.181 . . . . 0.0 110.213 170.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -57.3 -24.57 55.8 Favored 'General case' 2 N--CA 1.561 5.106 0 C-N-CA 129.275 3.03 . . . . 0.0 115.67 176.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.95 -27.59 57.6 Favored 'General case' 1 C--N 1.432 4.178 0 C-N-CA 127.377 2.271 . . . . 0.0 111.584 176.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.457 HD22 HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -92.95 -35.24 13.41 Favored 'General case' 1 C--N 1.442 4.605 0 C-N-CA 129.584 3.154 . . . . 0.0 112.92 -178.787 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -84.38 -28.71 26.78 Favored 'General case' 1 C--N 1.431 4.134 0 C-N-CA 127.441 2.297 . . . . 0.0 114.148 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.376 9.4 pt-20 -69.06 -43.68 74.12 Favored 'General case' 2 N--CA 1.582 6.14 0 N-CA-C 118.215 2.672 . . . . 0.0 118.215 176.487 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -17.56 64.14 Favored 'General case' 2 C--N 1.451 5.019 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 -174.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.32 -34.94 1.76 Allowed Glycine 1 C--N 1.421 5.271 0 N-CA-C 122.523 3.769 . . . . 0.0 122.523 168.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 t -151.84 -36.84 0.12 Allowed 'General case' 0 N--CA 1.531 3.621 0 C-N-CA 127.308 2.243 . . . . 0.0 111.289 -169.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.28 43.0 mm -129.35 122.46 55.82 Favored 'Isoleucine or valine' 2 C--N 1.441 4.544 0 C-N-CA 125.214 1.406 . . . . 0.0 109.548 -179.328 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.425 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.399 18.8 m -118.59 121.27 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.97 0 C-N-CA 126.953 2.101 . . . . 0.0 113.038 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.39 13.7 ptm180 -109.17 99.35 8.65 Favored 'General case' 1 N--CA 1.546 4.353 0 C-N-CA 126.054 1.742 . . . . 0.0 113.94 -179.355 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -99.05 139.9 34.01 Favored 'General case' 0 N--CA 1.527 3.399 0 C-N-CA 127.901 2.48 . . . . 0.0 113.742 -176.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -119.01 112.55 19.71 Favored 'General case' 1 C--O 1.312 4.364 0 C-N-CA 126.536 1.934 . . . . 0.0 111.207 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.5 m -106.18 159.1 6.26 Favored 'Isoleucine or valine' 2 N--CA 1.556 4.871 0 O-C-N 127.165 2.791 . . . . 0.0 115.207 -176.444 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 25.5 ptt? -119.79 110.87 17.28 Favored 'General case' 1 N--CA 1.556 4.857 0 C-N-CA 127.792 2.437 . . . . 0.0 113.709 -176.759 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 . . . . . 0 CA--C 1.623 3.763 0 C-N-CA 127.382 2.273 . . . . 0.0 109.057 -178.649 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.479 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 62.5 m . . . . . 2 N--CA 1.561 5.12 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 2 C--N 1.452 5.027 0 C-N-CA 126.792 2.037 . . . . 0.0 107.069 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.387 10.5 pt-20 . . . . . 1 N--CA 1.559 4.98 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 . . . . . . . . . 2 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.86 140.88 31.58 Favored 'General case' 1 N--CA 1.552 4.659 0 C-N-CA 125.839 1.656 . . . . 0.0 113.446 -174.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -125.28 129.49 50.12 Favored 'General case' 1 C--N 1.434 4.261 0 O-C-N 124.694 1.246 . . . . 0.0 111.028 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.292 10.9 pt-20 -107.06 111.77 24.39 Favored 'General case' 0 N--CA 1.531 3.577 0 C-N-CA 126.846 2.058 . . . . 0.0 113.202 178.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mt -114.81 135.96 53.0 Favored 'Isoleucine or valine' 2 N--CA 1.552 4.644 0 C-N-CA 125.34 1.456 . . . . 0.0 109.77 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -117.46 121.19 40.36 Favored 'General case' 0 CA--C 1.619 3.616 0 C-N-CA 127.252 2.221 . . . . 0.0 108.264 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.2 mt . . . . . 0 N--CA 1.531 3.618 0 C-N-CA 127.922 2.489 . . . . 0.0 112.416 179.852 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.423 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.501 3.014 0 CA-C-O 119.327 -0.707 . . . . 0.0 114.1 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -156.84 168.46 27.38 Favored 'General case' 2 C--N 1.442 4.613 0 C-N-CA 129.071 2.948 . . . . 0.0 108.832 177.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.444 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 67.8 m -135.55 145.42 46.98 Favored 'General case' 1 C--N 1.446 4.788 0 C-N-CA 124.946 1.298 . . . . 0.0 110.586 169.229 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.406 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.515 2.3 pp -121.78 126.94 75.29 Favored 'Isoleucine or valine' 2 N--CA 1.572 5.663 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -174.72 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.23 117.05 33.12 Favored 'General case' 1 C--N 1.437 4.378 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.608 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.15 156.44 28.35 Favored Glycine 1 N--CA 1.516 4.022 0 C-N-CA 126.165 1.84 . . . . 0.0 113.068 -174.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.39 150.39 7.9 Favored Glycine 1 C--N 1.401 4.181 0 N-CA-C 118.277 2.071 . . . . 0.0 118.277 -170.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 p -102.57 -41.95 6.09 Favored 'General case' 1 N--CA 1.557 4.903 0 C-N-CA 126.412 1.885 . . . . 0.0 113.087 165.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -102.57 -31.98 10.14 Favored 'General case' 1 C--N 1.433 4.197 0 C-N-CA 126.506 1.922 . . . . 0.0 113.28 177.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 2 CA--C 1.653 4.927 0 C-N-CA 126.94 2.096 . . . . 0.0 112.45 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.5 p . . . . . 1 N--CA 1.558 4.939 0 N-CA-C 115.514 1.672 . . . . 0.0 115.514 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.288 0.8 OUTLIER -94.54 113.2 28.58 Favored 'Isoleucine or valine' 3 C--N 1.449 4.924 0 C-N-CA 125.67 1.588 . . . . 0.0 109.081 -178.9 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -119.42 146.84 45.02 Favored 'General case' 0 N--CA 1.538 3.968 0 C-N-CA 129.426 3.09 . . . . 0.0 112.151 -168.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.76 139.88 16.66 Favored 'Isoleucine or valine' 2 C--N 1.45 4.949 0 C-N-CA 125.657 1.583 . . . . 0.0 109.966 175.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -141.3 -35.88 0.46 Allowed 'General case' 0 CA--C 1.619 3.629 0 C-N-CA 127.5 2.32 . . . . 0.0 109.89 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 7.7 tmtm? -125.95 128.69 47.9 Favored 'General case' 1 C--N 1.467 5.678 0 O-C-N 123.977 0.798 . . . . 0.0 111.468 -177.404 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.638 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.276 46.9 mm -124.7 128.5 73.43 Favored 'Isoleucine or valine' 0 C--N 1.415 3.415 0 C-N-CA 126.921 2.089 . . . . 0.0 108.731 174.286 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.293 3.1 mp -83.54 131.58 52.09 Favored Pre-proline 2 CA--C 1.68 5.946 0 C-N-CA 126.547 1.939 . . . . 0.0 110.768 173.317 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.64 -21.59 65.22 Favored 'Trans proline' 3 C--N 1.539 10.592 0 C-N-CA 124.24 3.293 . . . . 0.0 117.654 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.0 40.06 1.7 Allowed Glycine 1 C--N 1.428 5.668 0 CA-C-O 118.112 -1.382 . . . . 0.0 115.899 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.423 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -93.6 -177.54 39.85 Favored Glycine 2 C--N 1.442 6.45 0 C-N-CA 125.382 1.468 . . . . 0.0 116.28 174.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.63 -38.28 29.52 Favored 'General case' 0 N--CA 1.538 3.941 0 C-N-CA 128.946 2.898 . . . . 0.0 115.271 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.51 -25.48 35.91 Favored 'General case' 2 C--N 1.448 4.876 0 C-N-CA 126.944 2.098 . . . . 0.0 115.934 176.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.32 -42.52 17.02 Favored 'General case' 1 C--N 1.446 4.785 0 C-N-CA 127.208 2.203 . . . . 0.0 113.638 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -90.82 -55.29 3.62 Favored 'General case' 1 C--N 1.451 4.988 0 C-N-CA 127.277 2.231 . . . . 0.0 115.131 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.87 -34.35 15.29 Favored 'General case' 1 C--N 1.46 5.407 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -173.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.42 -48.03 4.42 Favored Glycine 2 C--N 1.441 6.381 0 N-CA-C 117.287 1.675 . . . . 0.0 117.287 -174.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.59 97.3 mtt180 87.25 57.71 0.01 OUTLIER 'General case' 2 N--CA 1.572 5.674 0 C-N-CA 130.582 3.553 . . . . 0.0 116.728 -178.943 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp -110.79 132.09 54.49 Favored 'General case' 0 C--N 1.415 3.443 0 C-N-CA 128.075 2.55 . . . . 0.0 111.46 171.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.28 153.99 25.12 Favored 'General case' 0 N--CA 1.526 3.374 0 C-N-CA 127.686 2.394 . . . . 0.0 110.214 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.12 -26.53 25.36 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.142 0 C-N-CA 128.593 2.757 . . . . 0.0 115.952 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -91.94 9.56 32.51 Favored 'General case' 1 CA--C 1.673 5.683 0 C-N-CA 129.11 2.964 . . . . 0.0 112.316 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.14 -35.34 18.69 Favored 'General case' 2 C--N 1.489 6.648 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m 47.36 125.01 0.0 OUTLIER 'General case' 2 N--CA 1.591 6.6 0 C-N-CA 129.236 3.014 . . . . 0.0 116.231 178.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -89.57 126.1 42.52 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.94 0 C-N-CA 124.216 1.006 . . . . 0.0 110.197 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.264 1.5 pt? -91.17 -43.94 9.55 Favored 'General case' 1 C--N 1.436 4.353 0 C-N-CA 124.946 1.298 . . . . 0.0 112.347 169.848 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -131.19 132.01 44.41 Favored 'General case' 2 C--N 1.447 4.838 0 O-C-N 125.161 1.538 . . . . 0.0 113.918 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.291 21.6 t -113.73 136.83 48.93 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.108 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.64 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.311 38.4 m-80 74.59 -80.88 0.03 OUTLIER 'General case' 2 N--CA 1.591 6.607 0 C-N-CA 128.737 2.815 . . . . 0.0 111.506 -177.846 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -157.75 8.78 0.16 Allowed 'General case' 1 CA--C 1.639 4.387 1 C-N-CA 134.632 5.173 . . . . 0.0 106.747 170.426 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.371 25.2 m -102.52 156.04 4.97 Favored 'Isoleucine or valine' 1 C--N 1.465 5.588 0 C-N-CA 127.713 2.405 . . . . 0.0 115.339 -167.361 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -85.77 103.33 14.44 Favored 'General case' 0 C--N 1.412 3.292 0 C-N-CA 127.86 2.464 . . . . 0.0 111.469 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.452 29.5 m -97.15 -12.7 8.3 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.046 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 174.561 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.284 16.2 ptm180 -44.3 -27.65 0.45 Allowed 'General case' 2 N--CA 1.585 6.279 0 C-N-CA 129.105 2.962 . . . . 0.0 117.841 179.44 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -149.27 76.41 1.32 Allowed 'General case' 1 C--N 1.439 4.493 0 C-N-CA 129.867 3.267 . . . . 0.0 108.865 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.288 19.4 m -141.06 159.94 23.1 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.473 0 C-N-CA 126.758 2.023 . . . . 0.0 110.596 177.598 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 p -76.84 161.7 28.23 Favored 'General case' 1 N--CA 1.56 5.068 0 C-N-CA 126.4 1.88 . . . . 0.0 112.205 166.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -46.87 -56.61 6.03 Favored 'General case' 3 N--CA 1.576 5.846 0 C-N-CA 129.009 2.924 . . . . 0.0 112.785 174.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m -61.79 -34.18 75.43 Favored 'General case' 2 C--N 1.456 5.206 0 C-N-CA 126.536 1.934 . . . . 0.0 113.503 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.06 -22.34 63.07 Favored 'General case' 1 C--N 1.457 5.243 0 C-N-CA 128.46 2.704 . . . . 0.0 114.236 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -35.78 14.91 Favored 'General case' 1 C--N 1.463 5.54 0 C-N-CA 126.544 1.937 . . . . 0.0 112.728 174.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.37 -40.41 56.45 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.57 0 C-N-CA 127.231 2.213 . . . . 0.0 111.709 177.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.6 mt-10 -63.19 -20.1 65.11 Favored 'General case' 1 N--CA 1.598 6.958 0 C-N-CA 128.271 2.628 . . . . 0.0 115.381 177.329 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.62 -28.81 56.24 Favored 'General case' 1 CA--C 1.636 4.253 0 C-N-CA 126.279 1.831 . . . . 0.0 112.067 167.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.426 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.4 mt -92.97 -32.99 14.33 Favored 'General case' 2 C--N 1.46 5.381 0 C-N-CA 126.812 2.045 . . . . 0.0 116.247 178.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -86.38 -38.49 17.36 Favored 'General case' 1 N--CA 1.546 4.328 0 C-N-CA 127.044 2.138 . . . . 0.0 114.351 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.255 39.1 mt-10 -90.42 -15.59 30.64 Favored 'General case' 2 N--CA 1.583 6.196 0 N-CA-C 119.737 3.236 . . . . 0.0 119.737 -175.871 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.74 -22.45 46.72 Favored 'General case' 3 N--CA 1.596 6.829 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.03 -34.71 5.27 Favored Glycine 1 C--N 1.43 5.751 0 N-CA-C 119.046 2.378 . . . . 0.0 119.046 166.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.2 p -174.79 -34.56 0.01 OUTLIER 'General case' 1 N--CA 1.562 5.147 0 C-N-CA 128.753 2.821 . . . . 0.0 112.933 -173.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.261 46.0 mm -118.57 121.4 66.93 Favored 'Isoleucine or valine' 0 C--N 1.423 3.762 0 C-N-CA 126.337 1.855 . . . . 0.0 109.019 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.341 17.9 m -127.49 121.12 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.577 0 C-N-CA 127.467 2.307 . . . . 0.0 112.768 179.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -108.42 137.15 46.86 Favored 'General case' 0 N--CA 1.538 3.932 0 C-N-CA 126.104 1.762 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 pp -125.05 137.42 54.21 Favored 'General case' 0 N--CA 1.522 3.165 0 C-N-CA 127.855 2.462 . . . . 0.0 112.845 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -117.81 111.6 19.28 Favored 'General case' 0 C--O 1.298 3.634 0 C-N-CA 126.492 1.917 . . . . 0.0 110.606 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 33.3 m -106.71 159.44 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.383 0 O-C-N 126.617 2.448 . . . . 0.0 115.298 -174.748 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.364 0.0 OUTLIER -124.28 109.14 13.0 Favored 'General case' 2 N--CA 1.557 4.882 0 C-N-CA 126.255 1.822 . . . . 0.0 113.429 -178.022 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.328 17.1 ptm180 . . . . . 1 N--CA 1.559 4.982 0 C-N-CA 126.06 1.744 . . . . 0.0 113.452 179.903 . . . . . . . . 2 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.406 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 66.8 m . . . . . 2 N--CA 1.547 4.378 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 2 C--N 1.449 4.913 0 C-N-CA 127.221 2.209 . . . . 0.0 107.323 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.379 11.0 pt-20 . . . . . 1 N--CA 1.548 4.445 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 . . . . . . . . . 2 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -103.24 143.66 32.35 Favored 'General case' 1 N--CA 1.546 4.337 0 C-N-CA 126.547 1.939 . . . . 0.0 112.921 -177.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -127.59 129.3 47.05 Favored 'General case' 1 C--N 1.433 4.237 0 C-N-CA 124.689 1.196 . . . . 0.0 110.964 -177.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.293 11.6 pt-20 -104.42 111.64 24.37 Favored 'General case' 0 N--CA 1.535 3.807 0 C-N-CA 126.248 1.819 . . . . 0.0 112.4 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mt -115.39 139.8 40.02 Favored 'Isoleucine or valine' 2 N--CA 1.546 4.358 0 C-N-CA 124.977 1.311 . . . . 0.0 109.076 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -119.11 124.64 47.37 Favored 'General case' 1 N--CA 1.542 4.167 0 C-N-CA 126.397 1.879 . . . . 0.0 108.714 176.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? . . . . . 0 N--CA 1.52 3.049 0 C-N-CA 127.524 2.329 . . . . 0.0 112.748 179.494 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.519 4.227 0 N-CA-C 117.065 1.586 . . . . 0.0 117.065 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -156.5 171.96 19.37 Favored 'General case' 1 C--N 1.444 4.682 0 C-N-CA 127.654 2.382 . . . . 0.0 109.578 175.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 75.3 m -137.63 145.67 43.0 Favored 'General case' 1 C--N 1.441 4.557 0 C-N-CA 125.475 1.51 . . . . 0.0 110.757 168.377 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.528 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.58 2.2 pp -118.52 128.42 75.46 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.12 0 N-CA-C 119.301 3.075 . . . . 0.0 119.301 -175.236 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.24 117.68 34.81 Favored 'General case' 1 C--N 1.441 4.557 0 CA-C-N 112.904 -1.953 . . . . 0.0 110.673 -177.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.72 160.88 31.87 Favored Glycine 1 N--CA 1.518 4.122 0 C-N-CA 125.539 1.543 . . . . 0.0 113.644 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.29 135.07 2.07 Favored Glycine 1 C--N 1.411 4.743 0 N-CA-C 119.645 2.618 . . . . 0.0 119.645 -174.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.279 11.8 p -104.15 -36.06 7.82 Favored 'General case' 1 N--CA 1.553 4.718 0 C-N-CA 125.76 1.624 . . . . 0.0 112.883 162.21 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -107.48 -35.75 6.67 Favored 'General case' 1 C--N 1.436 4.362 0 C-N-CA 125.453 1.501 . . . . 0.0 113.164 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 . . . . . 2 C--N 1.443 4.655 0 C-N-CA 127.055 2.142 . . . . 0.0 113.79 -178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p . . . . . 1 N--CA 1.553 4.689 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.291 0.5 OUTLIER -93.66 118.98 40.75 Favored 'Isoleucine or valine' 2 C--N 1.451 5.017 0 C-N-CA 125.551 1.54 . . . . 0.0 109.697 -177.957 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -129.19 150.15 50.69 Favored 'General case' 0 N--CA 1.529 3.503 0 C-N-CA 129.283 3.033 . . . . 0.0 111.463 -170.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -87.36 144.21 9.73 Favored 'Isoleucine or valine' 2 N--CA 1.551 4.604 0 C-N-CA 126.168 1.787 . . . . 0.0 110.101 175.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.372 10.5 p -147.77 -26.14 0.36 Allowed 'General case' 1 N--CA 1.556 4.844 0 C-N-CA 127.453 2.301 . . . . 0.0 114.207 178.857 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.7 tmtt? -121.68 124.16 43.61 Favored 'General case' 1 C--N 1.476 6.082 0 CA-C-N 118.514 0.597 . . . . 0.0 111.371 178.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.638 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.275 42.5 mm -123.38 129.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.412 3.296 0 C-N-CA 127.101 2.16 . . . . 0.0 108.238 173.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.286 3.2 mp -85.67 129.7 53.79 Favored Pre-proline 1 CA--C 1.682 6.039 0 C-N-CA 126.239 1.816 . . . . 0.0 109.892 173.102 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.88 -20.69 72.01 Favored 'Trans proline' 3 C--N 1.537 10.477 0 C-N-CA 124.449 3.433 . . . . 0.0 118.002 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.6 37.67 2.2 Favored Glycine 1 C--N 1.43 5.77 0 CA-C-O 117.889 -1.506 . . . . 0.0 116.581 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.13 -179.01 40.11 Favored Glycine 3 C--N 1.443 6.519 0 C-N-CA 124.923 1.249 . . . . 0.0 116.01 172.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.11 -37.41 28.96 Favored 'General case' 0 N--CA 1.538 3.959 0 C-N-CA 128.732 2.813 . . . . 0.0 115.533 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.4 -23.03 37.86 Favored 'General case' 2 C--N 1.445 4.729 0 C-N-CA 127.368 2.267 . . . . 0.0 115.659 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.79 -42.45 14.18 Favored 'General case' 1 C--N 1.446 4.801 0 C-N-CA 127.359 2.264 . . . . 0.0 113.586 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -90.81 -55.51 3.54 Favored 'General case' 1 C--N 1.449 4.913 0 C-N-CA 127.136 2.174 . . . . 0.0 114.805 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.91 -32.24 16.08 Favored 'General case' 1 C--N 1.459 5.336 0 N-CA-C 117.363 2.357 . . . . 0.0 117.363 -174.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.46 -48.84 4.12 Favored Glycine 2 C--N 1.443 6.478 0 N-CA-C 117.642 1.817 . . . . 0.0 117.642 -174.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.538 79.0 mtp180 88.05 55.92 0.01 OUTLIER 'General case' 2 N--CA 1.579 5.997 0 C-N-CA 130.52 3.528 . . . . 0.0 116.043 -178.546 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tp -110.78 132.8 53.89 Favored 'General case' 0 C--N 1.421 3.675 0 C-N-CA 127.978 2.511 . . . . 0.0 111.643 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . 0.267 40.8 ptt180 -112.21 164.62 12.99 Favored 'General case' 0 CA--C 1.613 3.391 0 C-N-CA 127.487 2.315 . . . . 0.0 112.49 172.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG13 HG12 ' A' ' 43' ' ' ILE 0.276 3.2 m -57.02 -30.5 34.19 Favored 'Isoleucine or valine' 1 N--CA 1.62 8.034 0 C-N-CA 127.208 2.203 . . . . 0.0 114.771 168.098 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -90.85 -0.91 57.85 Favored 'General case' 1 CA--C 1.664 5.338 0 C-N-CA 129.231 3.012 . . . . 0.0 111.669 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.279 1.5 m-20 -77.14 -39.12 50.4 Favored 'General case' 2 C--N 1.51 7.572 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 175.277 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t 45.63 117.44 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.752 0 C-N-CA 129.362 3.065 . . . . 0.0 115.486 177.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.459 HG21 HG23 ' A' ' 64' ' ' VAL . 4.2 mt -85.57 128.29 39.31 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.175 0 C-N-CA 124.735 1.214 . . . . 0.0 110.488 -175.476 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.262 1.3 pt? -94.33 -43.03 8.6 Favored 'General case' 0 C--N 1.425 3.854 0 O-C-N 125.091 1.494 . . . . 0.0 112.913 169.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.44 120.37 22.92 Favored 'General case' 1 C--N 1.447 4.823 0 O-C-N 124.925 1.391 . . . . 0.0 112.97 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.537 ' O ' HG22 ' A' ' 67' ' ' VAL 0.369 7.5 p -120.58 129.0 76.08 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.384 0 O-C-N 123.724 0.64 . . . . 0.0 112.615 -176.21 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 t30 74.55 3.91 4.34 Favored 'General case' 3 N--CA 1.627 8.392 0 C-N-CA 128.903 2.881 . . . . 0.0 110.981 -170.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.325 21.2 tt0 82.13 19.67 0.32 Allowed 'General case' 3 CA--C 1.674 5.713 1 C-N-CA 131.891 4.076 . . . . 0.0 109.954 -162.57 . . . . . . . . 4 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 64' ' ' VAL 0.357 5.4 m -94.92 154.05 3.42 Favored 'Isoleucine or valine' 1 C--N 1.477 6.132 0 C-N-CA 126.266 1.827 . . . . 0.0 112.921 -178.523 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.435 4.4 p-10 -83.13 93.09 7.56 Favored 'General case' 0 C--N 1.406 3.061 0 O-C-N 126.152 2.157 . . . . 0.0 114.54 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.468 27.7 m -94.85 -3.49 10.61 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.065 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 178.468 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -47.85 -27.66 2.2 Favored 'General case' 2 N--CA 1.595 6.807 0 C-N-CA 128.47 2.708 . . . . 0.0 116.341 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -150.87 81.7 1.33 Allowed 'General case' 1 C--N 1.452 5.05 0 C-N-CA 130.149 3.38 . . . . 0.0 109.305 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.578 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.271 22.1 m -141.94 169.03 14.22 Favored 'Isoleucine or valine' 1 N--CA 1.57 5.533 0 C-N-CA 126.316 1.846 . . . . 0.0 109.588 175.337 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 p -81.69 164.53 21.72 Favored 'General case' 1 N--CA 1.564 5.228 0 C-N-CA 127.957 2.503 . . . . 0.0 110.115 167.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.267 56.6 p-80 -53.02 -50.33 64.46 Favored 'General case' 3 N--CA 1.601 7.083 0 C-N-CA 125.102 1.361 . . . . 0.0 113.325 177.763 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.9 t -60.3 -31.3 70.14 Favored 'General case' 1 C--N 1.444 4.685 0 C-N-CA 127.639 2.375 . . . . 0.0 113.31 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.92 -20.05 50.29 Favored 'General case' 1 C--N 1.479 6.204 0 C-N-CA 126.885 2.074 . . . . 0.0 112.898 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.41 -33.41 19.1 Favored 'General case' 1 C--N 1.466 5.672 0 C-N-CA 126.71 2.004 . . . . 0.0 112.508 170.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.12 -39.28 73.82 Favored 'Isoleucine or valine' 3 N--CA 1.599 7.018 0 C-N-CA 127.725 2.41 . . . . 0.0 111.483 175.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.13 -13.77 50.35 Favored 'General case' 1 N--CA 1.592 6.67 0 C-N-CA 129.957 3.303 . . . . 0.0 115.347 175.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.99 -29.38 25.08 Favored 'General case' 0 CA--C 1.627 3.914 0 C-N-CA 126.79 2.036 . . . . 0.0 112.336 165.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.481 ' HA ' HG11 ' A' ' 88' ' ' VAL . 2.1 mt -92.37 -32.8 14.83 Favored 'General case' 2 C--N 1.462 5.48 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -90.35 -35.91 14.95 Favored 'General case' 1 N--CA 1.547 4.383 0 C-N-CA 126.958 2.103 . . . . 0.0 113.998 -174.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -78.88 -26.06 43.89 Favored 'General case' 2 CA--C 1.636 4.262 0 C-N-CA 128.414 2.685 . . . . 0.0 116.73 -178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.07 -23.21 64.93 Favored 'General case' 2 C--N 1.464 5.546 0 CA-C-N 119.491 1.041 . . . . 0.0 113.747 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.23 -34.69 3.03 Favored Glycine 1 C--N 1.426 5.551 0 N-CA-C 121.747 3.459 . . . . 0.0 121.747 168.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.6 t -153.93 -34.39 0.11 Allowed 'General case' 0 N--CA 1.532 3.642 0 C-N-CA 127.044 2.138 . . . . 0.0 111.996 -169.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.295 39.1 mm -128.99 110.0 19.94 Favored 'Isoleucine or valine' 2 C--N 1.442 4.608 0 C-N-CA 125.008 1.323 . . . . 0.0 109.555 -175.302 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.274 0.0 OUTLIER -119.98 126.21 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.47 0 O-C-N 125.747 1.904 . . . . 0.0 113.569 -179.402 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.368 38.2 ptt180 -113.88 106.37 14.37 Favored 'General case' 1 N--CA 1.561 5.105 0 C-N-CA 126.143 1.777 . . . . 0.0 114.91 -176.587 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.8 140.54 34.94 Favored 'General case' 0 N--CA 1.533 3.687 0 C-N-CA 127.103 2.161 . . . . 0.0 114.389 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.87 111.16 17.19 Favored 'General case' 0 C--O 1.298 3.651 0 C-N-CA 126.587 1.955 . . . . 0.0 111.049 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 33.5 m -106.51 161.23 5.77 Favored 'Isoleucine or valine' 2 N--CA 1.57 5.535 0 O-C-N 126.659 2.474 . . . . 0.0 115.577 -175.038 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.277 19.0 ptp -120.78 122.06 39.53 Favored 'General case' 1 N--CA 1.57 5.556 0 C-N-CA 127.525 2.33 . . . . 0.0 114.087 -176.095 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 N--CA 1.538 3.945 0 C-N-CA 127.659 2.384 . . . . 0.0 110.651 177.411 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.528 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 69.7 m . . . . . 1 CA--C 1.635 4.243 0 CA-C-O 119.317 -0.373 . . . . 0.0 111.284 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 C--N 1.445 4.725 0 C-N-CA 126.76 2.024 . . . . 0.0 108.5 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.372 10.8 pt-20 . . . . . 1 N--CA 1.546 4.37 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 . . . . . . . . . 2 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -104.03 141.24 36.54 Favored 'General case' 1 N--CA 1.542 4.146 0 C-N-CA 126.186 1.794 . . . . 0.0 112.833 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -126.79 127.35 44.89 Favored 'General case' 1 C--N 1.428 4.021 0 O-C-N 124.617 1.198 . . . . 0.0 111.353 -176.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.304 11.4 pt-20 -103.62 109.94 21.81 Favored 'General case' 0 C--N 1.42 3.654 0 C-N-CA 126.33 1.852 . . . . 0.0 112.514 174.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 mt -112.36 138.66 40.56 Favored 'Isoleucine or valine' 2 N--CA 1.551 4.602 0 C-N-CA 125.116 1.366 . . . . 0.0 109.424 -178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -119.53 123.68 44.57 Favored 'General case' 1 N--CA 1.54 4.041 0 C-N-CA 126.433 1.893 . . . . 0.0 108.811 176.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.523 3.21 0 C-N-CA 128.123 2.569 . . . . 0.0 113.783 -179.782 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.789 0 CA-C-O 119.054 -0.859 . . . . 0.0 111.434 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -58.96 167.01 1.76 Allowed 'General case' 1 N--CA 1.566 5.328 0 C-N-CA 131.7 4.0 . . . . 0.0 112.8 -165.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.579 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.3 m -129.94 136.28 49.29 Favored 'General case' 1 C--N 1.435 4.322 0 CA-C-N 119.312 0.96 . . . . 0.0 112.547 175.002 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.641 2.3 pp -116.59 124.72 73.04 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.084 0 N-CA-C 119.648 3.203 . . . . 0.0 119.648 -176.927 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.65 118.4 36.7 Favored 'General case' 1 C--N 1.435 4.325 0 CA-C-N 112.993 -1.912 . . . . 0.0 111.795 -177.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.85 163.1 28.6 Favored Glycine 0 C--O 1.29 3.648 0 CA-C-N 113.677 -1.601 . . . . 0.0 114.186 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.44 123.93 0.82 Allowed Glycine 1 C--N 1.412 4.762 0 N-CA-C 119.848 2.699 . . . . 0.0 119.848 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 11.8 p -99.9 -31.13 11.64 Favored 'General case' 1 N--CA 1.553 4.701 0 C-N-CA 125.579 1.551 . . . . 0.0 112.241 159.431 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -112.75 -36.08 5.28 Favored 'General case' 1 C--N 1.439 4.485 0 C-N-CA 125.405 1.482 . . . . 0.0 113.338 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 . . . . . 2 C--N 1.445 4.743 0 C-N-CA 126.785 2.034 . . . . 0.0 114.775 -175.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 1 N--CA 1.551 4.579 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.302 0.7 OUTLIER -92.85 116.07 33.12 Favored 'Isoleucine or valine' 3 C--N 1.451 4.985 0 C-N-CA 125.498 1.519 . . . . 0.0 109.799 -178.474 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -122.38 147.94 45.67 Favored 'General case' 0 N--CA 1.538 3.955 0 C-N-CA 129.742 3.217 . . . . 0.0 111.846 -169.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.49 142.52 12.8 Favored 'Isoleucine or valine' 2 C--N 1.45 4.951 0 C-N-CA 125.517 1.527 . . . . 0.0 109.819 174.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 17.8 p -144.32 -27.15 0.51 Allowed 'General case' 1 N--CA 1.557 4.893 0 C-N-CA 127.182 2.193 . . . . 0.0 113.206 -178.867 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.579 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.292 48.4 tptt -122.68 123.7 41.72 Favored 'General case' 1 C--N 1.468 5.749 0 C-N-CA 123.968 0.907 . . . . 0.0 113.155 178.752 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.256 49.7 mm -128.66 129.56 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.669 0 C-N-CA 127.222 2.209 . . . . 0.0 108.154 172.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.533 ' CB ' ' CA ' ' A' ' 44' ' ' ILE 0.264 1.4 mp -84.96 131.99 47.19 Favored Pre-proline 2 CA--C 1.682 6.044 0 C-N-CA 128.752 2.821 . . . . 0.0 110.349 172.127 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.29 -19.46 62.06 Favored 'Trans proline' 3 C--N 1.541 10.672 0 C-N-CA 123.962 3.108 . . . . 0.0 117.32 176.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.84 36.51 2.33 Favored Glycine 1 C--N 1.431 5.81 0 CA-C-O 117.83 -1.539 . . . . 0.0 116.396 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.51 -178.56 42.57 Favored Glycine 3 C--N 1.447 6.729 0 C-N-CA 124.94 1.257 . . . . 0.0 115.813 173.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.0 -38.48 27.44 Favored 'General case' 1 N--CA 1.542 4.151 0 C-N-CA 128.292 2.637 . . . . 0.0 115.478 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.33 -21.96 38.84 Favored 'General case' 2 C--N 1.446 4.802 0 C-N-CA 126.554 1.941 . . . . 0.0 115.879 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.46 -43.24 12.94 Favored 'General case' 1 C--N 1.445 4.728 0 C-N-CA 127.313 2.245 . . . . 0.0 113.65 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -90.69 -54.6 3.91 Favored 'General case' 2 C--N 1.45 4.946 0 C-N-CA 127.169 2.188 . . . . 0.0 114.852 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.65 -31.24 16.71 Favored 'General case' 1 C--N 1.458 5.313 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -174.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.56 -52.61 2.79 Favored Glycine 2 C--N 1.444 6.534 0 N-CA-C 117.069 1.588 . . . . 0.0 117.069 -175.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.577 63.7 mtp180 91.53 55.91 0.0 OUTLIER 'General case' 2 N--CA 1.574 5.755 0 C-N-CA 130.866 3.666 . . . . 0.0 116.505 -178.832 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.76 131.89 54.66 Favored 'General case' 0 C--N 1.418 3.545 0 C-N-CA 128.06 2.544 . . . . 0.0 111.169 170.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.2 152.82 26.64 Favored 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 127.347 2.259 . . . . 0.0 110.581 171.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 p -55.4 -28.79 22.8 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.206 0 C-N-CA 128.938 2.895 . . . . 0.0 116.06 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.291 3.3 p-10 -91.51 8.62 35.6 Favored 'General case' 1 CA--C 1.655 5.007 0 C-N-CA 128.663 2.785 . . . . 0.0 113.829 178.099 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.263 1.6 m-20 -86.18 -31.44 21.76 Favored 'General case' 2 C--N 1.49 6.716 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 -179.22 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.3 m 45.89 119.74 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.735 0 C-N-CA 128.801 2.84 . . . . 0.0 116.451 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.517 HG21 HG13 ' A' ' 64' ' ' VAL 0.252 14.9 mt -84.46 129.78 37.09 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.871 0 C-N-CA 124.869 1.268 . . . . 0.0 110.718 -175.498 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.266 1.6 pt? -95.98 -46.23 6.6 Favored 'General case' 1 C--N 1.431 4.143 0 O-C-N 125.12 1.512 . . . . 0.0 112.327 168.566 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -132.21 136.15 46.82 Favored 'General case' 1 C--N 1.446 4.789 0 O-C-N 124.986 1.429 . . . . 0.0 113.035 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.517 HG13 HG21 ' A' ' 61' ' ' ILE 0.459 1.4 m -121.29 139.45 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.638 0 C-N-CA 124.382 1.073 . . . . 0.0 111.958 172.433 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 70.13 -1.4 2.44 Favored 'General case' 2 N--CA 1.594 6.731 0 C-N-CA 128.216 2.607 . . . . 0.0 115.191 177.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.418 46.2 mt-10 89.11 8.2 0.11 Allowed 'General case' 3 N--CA 1.586 6.355 0 C-N-CA 131.135 3.774 . . . . 0.0 112.44 -161.012 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.383 30.1 m -97.24 152.33 4.03 Favored 'Isoleucine or valine' 2 C--N 1.458 5.308 0 C-N-CA 127.993 2.517 . . . . 0.0 113.92 179.08 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.473 4.4 p30 -81.85 97.99 8.29 Favored 'General case' 0 C--N 1.412 3.305 0 C-N-CA 127.415 2.286 . . . . 0.0 115.684 -173.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.373 0.9 OUTLIER -106.61 9.2 9.47 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.138 0 C-N-CA 128.252 2.621 . . . . 0.0 113.197 -178.611 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -65.1 -23.66 67.21 Favored 'General case' 1 N--CA 1.574 5.757 0 C-N-CA 127.318 2.247 . . . . 0.0 113.843 173.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -154.61 84.95 1.11 Allowed 'General case' 1 C--N 1.458 5.302 0 C-N-CA 129.348 3.059 . . . . 0.0 110.052 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.537 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.267 32.6 m -143.68 171.4 8.23 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.212 0 C-N-CA 126.54 1.936 . . . . 0.0 109.236 174.413 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -82.3 162.78 22.15 Favored 'General case' 1 N--CA 1.563 5.224 0 C-N-CA 127.755 2.422 . . . . 0.0 109.634 167.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.281 50.7 p-80 -51.64 -50.67 59.85 Favored 'General case' 4 N--CA 1.605 7.306 0 C-N-CA 124.637 1.175 . . . . 0.0 113.489 178.103 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.1 m -59.13 -31.26 68.79 Favored 'General case' 2 C--N 1.442 4.603 0 C-N-CA 127.814 2.446 . . . . 0.0 114.209 177.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.12 -21.86 49.74 Favored 'General case' 1 C--N 1.475 6.044 0 C-N-CA 126.824 2.049 . . . . 0.0 113.178 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.61 -29.71 17.62 Favored 'General case' 1 C--N 1.469 5.778 0 C-N-CA 126.037 1.735 . . . . 0.0 113.32 171.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.5 t -73.09 -40.19 58.1 Favored 'Isoleucine or valine' 3 N--CA 1.597 6.903 0 C-N-CA 126.877 2.071 . . . . 0.0 111.18 174.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.34 -17.6 64.82 Favored 'General case' 1 N--CA 1.596 6.84 0 C-N-CA 128.544 2.737 . . . . 0.0 115.479 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.29 -28.81 47.62 Favored 'General case' 0 CA--C 1.62 3.655 0 C-N-CA 126.845 2.058 . . . . 0.0 111.207 166.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' A' ' 88' ' ' VAL 0.346 15.8 mt -92.84 -31.37 15.02 Favored 'General case' 1 C--N 1.471 5.881 0 N-CA-C 117.962 2.578 . . . . 0.0 117.962 -179.739 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -87.7 -34.54 18.36 Favored 'General case' 1 N--CA 1.541 4.123 0 C-N-CA 127.642 2.377 . . . . 0.0 114.037 175.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.292 39.4 mt-10 -86.41 -24.35 25.76 Favored 'General case' 2 N--CA 1.594 6.741 0 N-CA-C 119.965 3.321 . . . . 0.0 119.965 -177.934 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 88' ' ' VAL . . . -57.7 -23.32 51.1 Favored 'General case' 3 N--CA 1.594 6.725 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.31 -34.81 5.47 Favored Glycine 1 C--N 1.423 5.382 0 N-CA-C 119.804 2.681 . . . . 0.0 119.804 166.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.4 m -169.8 -34.86 0.02 OUTLIER 'General case' 1 N--CA 1.557 4.908 0 C-N-CA 128.625 2.77 . . . . 0.0 112.439 -171.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.286 24.1 mm -121.52 108.65 22.8 Favored 'Isoleucine or valine' 1 C--N 1.441 4.578 0 C-N-CA 125.86 1.664 . . . . 0.0 108.865 -174.159 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 81' ' ' LEU 0.315 0.3 OUTLIER -118.93 119.68 61.69 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.561 0 CA-C-N 112.32 -2.218 . . . . 0.0 113.369 -176.46 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.415 34.2 ptt180 -107.96 131.0 55.01 Favored 'General case' 1 N--CA 1.554 4.774 0 C-N-CA 126.524 1.93 . . . . 0.0 114.822 -178.629 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -125.88 141.53 51.94 Favored 'General case' 0 N--CA 1.535 3.803 0 C-N-CA 128.464 2.706 . . . . 0.0 113.731 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -121.98 112.08 17.85 Favored 'General case' 1 C--O 1.315 4.544 0 C-N-CA 126.982 2.113 . . . . 0.0 110.818 177.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 30.1 m -106.59 159.85 6.27 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.382 0 O-C-N 126.818 2.574 . . . . 0.0 114.765 -176.407 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.292 25.7 ptt? -126.17 115.35 19.64 Favored 'General case' 1 N--CA 1.568 5.433 0 C-N-CA 127.734 2.413 . . . . 0.0 114.007 -176.467 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.334 16.7 ptm180 . . . . . 1 N--CA 1.546 4.337 0 C-N-CA 126.923 2.089 . . . . 0.0 112.271 178.411 . . . . . . . . 2 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.53 3.575 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 2 N--CA 1.546 4.335 0 C-N-CA 128.077 2.551 . . . . 0.0 104.787 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.319 10.1 pt-20 . . . . . 1 N--CA 1.544 4.241 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 . . . . . . . . . 2 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -103.4 143.49 32.63 Favored 'General case' 1 N--CA 1.546 4.343 0 C-N-CA 125.902 1.681 . . . . 0.0 113.656 -176.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -122.74 134.52 54.44 Favored 'General case' 1 N--CA 1.551 4.586 0 C-N-CA 126.041 1.736 . . . . 0.0 113.33 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.309 12.3 pt-20 -110.42 109.72 20.21 Favored 'General case' 0 C--N 1.425 3.869 0 C-N-CA 125.829 1.652 . . . . 0.0 112.131 173.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -112.07 138.22 41.79 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.828 0 C-N-CA 125.165 1.386 . . . . 0.0 109.59 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.445 HG23 ' HB3' ' A' ' 89' ' ' ARG . 2.0 m -116.76 118.88 33.75 Favored 'General case' 0 C--N 1.418 3.577 0 C-N-CA 125.838 1.655 . . . . 0.0 108.434 174.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 N--CA 1.521 3.106 0 C-N-CA 127.608 2.363 . . . . 0.0 112.896 178.768 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.442 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.501 2.998 0 CA-C-O 119.221 -0.766 . . . . 0.0 114.224 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -154.43 168.56 26.28 Favored 'General case' 2 C--N 1.438 4.449 0 C-N-CA 129.124 2.97 . . . . 0.0 108.533 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.558 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.1 m -135.17 146.28 48.58 Favored 'General case' 2 C--N 1.444 4.686 0 C-N-CA 123.993 0.917 . . . . 0.0 111.251 166.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.487 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.557 2.2 pp -118.84 123.58 71.74 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.945 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -175.223 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.71 116.69 33.07 Favored 'General case' 1 C--N 1.438 4.453 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.28 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.78 154.9 24.97 Favored Glycine 1 N--CA 1.518 4.161 0 C-N-CA 125.718 1.628 . . . . 0.0 113.284 -173.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.02 149.93 7.53 Favored Glycine 2 N--CA 1.521 4.331 0 N-CA-C 118.263 2.065 . . . . 0.0 118.263 -170.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.251 8.5 p -104.74 -44.66 4.8 Favored 'General case' 1 N--CA 1.561 5.093 0 C-N-CA 126.003 1.721 . . . . 0.0 113.424 165.991 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -99.47 -31.99 11.36 Favored 'General case' 2 C--N 1.432 4.16 0 C-N-CA 126.556 1.943 . . . . 0.0 113.145 177.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 2 C--N 1.447 4.814 0 C-N-CA 127.102 2.161 . . . . 0.0 112.3 179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.0 p . . . . . 1 N--CA 1.552 4.654 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.302 0.6 OUTLIER -94.5 111.78 25.99 Favored 'Isoleucine or valine' 3 C--N 1.451 4.991 0 C-N-CA 125.413 1.485 . . . . 0.0 109.594 -177.974 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -119.76 147.0 45.15 Favored 'General case' 1 N--CA 1.54 4.038 0 C-N-CA 129.886 3.274 . . . . 0.0 111.94 -171.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -86.72 138.58 18.79 Favored 'Isoleucine or valine' 2 C--N 1.448 4.852 0 C-N-CA 125.755 1.622 . . . . 0.0 109.886 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -141.72 -33.99 0.49 Allowed 'General case' 0 CA--C 1.624 3.807 0 C-N-CA 127.53 2.332 . . . . 0.0 109.443 -171.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.275 51.3 tptt -121.84 128.09 51.25 Favored 'General case' 1 C--N 1.464 5.561 0 C-N-CA 124.344 1.058 . . . . 0.0 113.163 179.721 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.649 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 46.1 mm -127.87 124.3 62.68 Favored 'Isoleucine or valine' 0 C--N 1.414 3.411 0 C-N-CA 127.425 2.29 . . . . 0.0 108.094 172.27 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.291 2.9 mp -82.39 131.24 56.28 Favored Pre-proline 2 CA--C 1.678 5.893 0 C-N-CA 127.158 2.183 . . . . 0.0 110.562 173.407 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.91 -19.28 63.97 Favored 'Trans proline' 3 C--N 1.539 10.564 0 C-N-CA 124.197 3.265 . . . . 0.0 117.485 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.86 39.16 1.82 Allowed Glycine 1 C--N 1.429 5.731 0 CA-C-O 117.989 -1.451 . . . . 0.0 115.885 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -94.78 -177.69 38.11 Favored Glycine 2 C--N 1.443 6.499 0 C-N-CA 125.34 1.447 . . . . 0.0 116.569 174.752 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -38.07 28.88 Favored 'General case' 1 N--CA 1.54 4.044 0 C-N-CA 128.748 2.819 . . . . 0.0 115.384 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.5 -24.08 36.92 Favored 'General case' 2 N--CA 1.555 4.811 0 C-N-CA 126.774 2.03 . . . . 0.0 116.073 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 -41.68 16.32 Favored 'General case' 1 C--N 1.444 4.692 0 C-N-CA 127.344 2.257 . . . . 0.0 113.468 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -91.08 -56.58 3.11 Favored 'General case' 2 C--N 1.448 4.872 0 C-N-CA 127.241 2.216 . . . . 0.0 115.06 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.76 -32.7 16.02 Favored 'General case' 2 C--N 1.459 5.345 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -173.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.23 -51.08 3.43 Favored Glycine 2 C--N 1.439 6.276 0 N-CA-C 117.627 1.811 . . . . 0.0 117.627 -172.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.556 86.9 mtm180 90.74 52.62 0.0 OUTLIER 'General case' 2 N--CA 1.577 5.908 0 C-N-CA 130.666 3.586 . . . . 0.0 116.232 -178.479 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.14 130.23 55.69 Favored 'General case' 0 C--N 1.419 3.623 0 C-N-CA 127.909 2.484 . . . . 0.0 111.575 171.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -111.33 154.8 24.02 Favored 'General case' 0 N--CA 1.528 3.434 0 C-N-CA 127.673 2.389 . . . . 0.0 110.651 170.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 0.252 4.2 p -56.26 -28.38 25.75 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.002 0 C-N-CA 128.815 2.846 . . . . 0.0 116.302 -179.039 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -91.92 10.77 27.44 Favored 'General case' 1 CA--C 1.673 5.709 0 C-N-CA 128.627 2.771 . . . . 0.0 112.305 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.251 2.1 m-20 -89.22 -33.04 17.14 Favored 'General case' 2 C--N 1.486 6.514 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 179.652 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m 44.37 118.77 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.812 0 C-N-CA 129.401 3.08 . . . . 0.0 116.751 177.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mt -84.28 126.01 40.23 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.176 0 C-N-CA 124.7 1.2 . . . . 0.0 110.192 -175.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.264 1.5 pt? -91.44 -44.19 9.27 Favored 'General case' 1 C--N 1.431 4.115 0 C-N-CA 125.098 1.359 . . . . 0.0 112.027 171.124 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -129.68 125.81 36.86 Favored 'General case' 1 C--N 1.449 4.916 0 O-C-N 125.252 1.595 . . . . 0.0 113.406 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.9 t -112.02 130.06 66.35 Favored 'Isoleucine or valine' 1 N--CA 1.586 6.345 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.4 m120 71.77 -1.98 2.64 Favored 'General case' 3 N--CA 1.63 8.572 0 C-N-CA 128.577 2.751 . . . . 0.0 114.89 -176.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.395 47.4 mt-10 87.92 8.72 0.16 Allowed 'General case' 3 N--CA 1.583 6.182 0 C-N-CA 130.772 3.629 . . . . 0.0 111.73 -160.571 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.405 24.4 m -95.82 154.94 3.44 Favored 'Isoleucine or valine' 1 C--N 1.465 5.619 0 C-N-CA 127.191 2.196 . . . . 0.0 113.747 179.176 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.433 4.5 p-10 -81.88 98.56 8.58 Favored 'General case' 0 C--N 1.411 3.27 0 C-N-CA 127.177 2.191 . . . . 0.0 115.228 -173.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.423 28.1 m -94.63 -13.97 8.19 Favored 'Isoleucine or valine' 1 N--CA 1.549 4.514 0 CA-C-N 113.084 -1.871 . . . . 0.0 115.246 176.767 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.33 38.8 ptt180 -47.96 -21.89 0.51 Allowed 'General case' 2 N--CA 1.584 6.249 0 N-CA-C 118.383 2.734 . . . . 0.0 118.383 179.791 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -150.95 74.77 1.17 Allowed 'General case' 1 C--N 1.436 4.36 0 C-N-CA 128.644 2.777 . . . . 0.0 107.242 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.293 18.6 m -140.91 160.7 23.47 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.649 0 C-N-CA 127.158 2.183 . . . . 0.0 110.783 177.529 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -77.25 162.71 27.14 Favored 'General case' 1 N--CA 1.561 5.08 0 C-N-CA 126.737 2.015 . . . . 0.0 112.3 166.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -47.25 -57.98 4.6 Favored 'General case' 3 N--CA 1.575 5.814 0 C-N-CA 129.189 2.996 . . . . 0.0 112.676 174.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.1 m -61.0 -34.01 74.14 Favored 'General case' 2 C--N 1.453 5.101 0 C-N-CA 126.576 1.95 . . . . 0.0 113.543 177.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.63 -22.44 62.52 Favored 'General case' 2 C--N 1.456 5.227 0 C-N-CA 128.365 2.666 . . . . 0.0 114.384 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.31 -35.42 15.26 Favored 'General case' 1 C--N 1.463 5.507 0 C-N-CA 126.393 1.877 . . . . 0.0 112.712 174.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.5 t -73.15 -41.95 58.66 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.833 0 C-N-CA 127.298 2.239 . . . . 0.0 111.5 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.15 -29.62 67.56 Favored 'General case' 2 N--CA 1.564 5.243 0 C-N-CA 128.719 2.808 . . . . 0.0 114.722 178.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.61 -28.23 65.76 Favored 'General case' 2 C--N 1.446 4.778 0 C-N-CA 127.252 2.221 . . . . 0.0 112.616 171.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.42 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.8 mt -91.11 -31.91 16.05 Favored 'General case' 2 C--N 1.452 5.05 0 C-N-CA 127.008 2.123 . . . . 0.0 113.6 178.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -83.46 -29.05 28.33 Favored 'General case' 0 C--N 1.427 3.942 0 C-N-CA 127.695 2.398 . . . . 0.0 113.832 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.387 10.1 pt-20 -70.36 -44.11 68.79 Favored 'General case' 2 N--CA 1.584 6.235 0 N-CA-C 118.437 2.755 . . . . 0.0 118.437 177.323 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.33 -20.77 66.55 Favored 'General case' 2 C--N 1.45 4.967 0 C-N-CA 125.843 1.657 . . . . 0.0 114.651 -176.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.23 -34.18 0.54 Allowed Glycine 1 C--N 1.425 5.475 0 N-CA-C 122.783 3.873 . . . . 0.0 122.783 169.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 m -143.41 -36.35 0.37 Allowed 'General case' 0 N--CA 1.516 2.831 0 C-N-CA 128.334 2.654 . . . . 0.0 112.703 -168.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.271 31.5 mm -133.38 109.49 13.69 Favored 'Isoleucine or valine' 2 C--N 1.446 4.798 0 C-N-CA 125.491 1.517 . . . . 0.0 109.246 -175.015 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.299 0.0 OUTLIER -118.41 115.72 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.354 0 O-C-N 125.694 1.871 . . . . 0.0 113.297 -179.374 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.445 ' HB3' HG23 ' A' ' 11' ' ' THR 0.393 38.0 ptt180 -107.29 105.13 14.94 Favored 'General case' 1 N--CA 1.562 5.155 0 C-N-CA 126.25 1.82 . . . . 0.0 115.182 -176.236 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.84 143.47 32.41 Favored 'General case' 0 N--CA 1.533 3.694 0 C-N-CA 127.536 2.334 . . . . 0.0 114.224 -176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -121.88 111.83 17.58 Favored 'General case' 0 C--N 1.417 3.523 0 C-N-CA 126.722 2.009 . . . . 0.0 111.153 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.3 m -106.8 159.62 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.475 0 O-C-N 126.326 2.266 . . . . 0.0 115.147 -175.105 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.343 0.0 OUTLIER -126.82 112.2 15.09 Favored 'General case' 2 N--CA 1.554 4.757 0 C-N-CA 127.459 2.303 . . . . 0.0 113.68 -176.23 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.355 15.4 ptm180 . . . . . 0 N--CA 1.534 3.747 0 C-N-CA 126.379 1.872 . . . . 0.0 112.789 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.487 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 68.5 m . . . . . 1 N--CA 1.552 4.649 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 C--N 1.451 5.001 0 C-N-CA 126.871 2.068 . . . . 0.0 107.302 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.413 ' HG3' ' HG3' ' A' ' 94' ' ' ARG 0.391 10.4 pt-20 . . . . . 1 N--CA 1.542 4.156 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 . . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -108.52 145.61 34.49 Favored 'General case' 0 N--CA 1.538 3.964 0 C-N-CA 126.439 1.895 . . . . 0.0 113.225 -177.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -124.52 130.9 53.32 Favored 'General case' 1 N--CA 1.543 4.203 0 C-N-CA 125.848 1.659 . . . . 0.0 113.182 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.301 11.8 pt-20 -106.46 109.24 21.11 Favored 'General case' 0 C--N 1.423 3.799 0 C-N-CA 125.765 1.626 . . . . 0.0 111.952 172.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 6.9 mt -109.74 139.28 33.55 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.813 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -178.925 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.254 0.2 OUTLIER -110.72 120.15 41.47 Favored 'General case' 0 N--CA 1.533 3.702 0 C-N-CA 126.455 1.902 . . . . 0.0 112.456 171.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 mt . . . . . 0 C--N 1.402 2.868 0 C-N-CA 127.076 2.15 . . . . 0.0 112.793 177.189 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.523 4.485 0 N-CA-C 115.975 1.15 . . . . 0.0 115.975 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -154.64 169.02 24.86 Favored 'General case' 1 C--N 1.44 4.534 0 C-N-CA 128.528 2.731 . . . . 0.0 109.505 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.588 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 58.8 m -135.02 144.12 47.15 Favored 'General case' 1 C--N 1.448 4.89 0 C-N-CA 124.089 0.956 . . . . 0.0 110.948 166.221 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.413 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.494 2.0 pp -120.68 129.0 76.1 Favored 'Isoleucine or valine' 2 N--CA 1.565 5.276 0 N-CA-C 119.23 3.048 . . . . 0.0 119.23 -175.361 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.65 118.23 36.37 Favored 'General case' 1 C--N 1.438 4.429 0 CA-C-N 113.2 -1.818 . . . . 0.0 111.853 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.91 159.04 24.47 Favored Glycine 0 N--CA 1.512 3.753 0 C-N-CA 126.226 1.869 . . . . 0.0 112.967 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.86 120.87 0.66 Allowed Glycine 1 C--N 1.414 4.868 0 N-CA-C 120.19 2.836 . . . . 0.0 120.19 -176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.294 12.0 p -104.44 -37.42 7.19 Favored 'General case' 1 N--CA 1.555 4.817 0 O-C-N 125.757 1.504 . . . . 0.0 113.397 161.336 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -106.36 -35.65 7.07 Favored 'General case' 2 C--N 1.435 4.314 0 C-N-CA 125.286 1.435 . . . . 0.0 113.34 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.1 m120 . . . . . 2 C--N 1.441 4.568 0 C-N-CA 127.135 2.174 . . . . 0.0 113.624 -178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 1 N--CA 1.557 4.896 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.592 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.291 0.6 OUTLIER -92.66 119.46 40.3 Favored 'Isoleucine or valine' 3 C--N 1.452 5.052 0 C-N-CA 125.529 1.532 . . . . 0.0 110.142 -177.709 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -121.36 155.1 35.51 Favored 'General case' 1 N--CA 1.546 4.335 0 C-N-CA 127.686 2.395 . . . . 0.0 112.183 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -90.44 141.7 14.0 Favored 'Isoleucine or valine' 1 C--N 1.456 5.199 0 C-N-CA 125.938 1.695 . . . . 0.0 108.787 168.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.302 20.3 p -142.4 -28.16 0.6 Allowed 'General case' 1 N--CA 1.563 5.187 0 C-N-CA 127.065 2.146 . . . . 0.0 112.907 -179.626 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.588 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.287 51.9 tptt -119.8 126.39 50.89 Favored 'General case' 1 C--N 1.466 5.643 0 C-N-CA 124.103 0.961 . . . . 0.0 112.823 178.322 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.651 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 45.0 mm -127.43 124.39 63.67 Favored 'Isoleucine or valine' 0 C--N 1.411 3.266 0 C-N-CA 127.411 2.284 . . . . 0.0 107.951 172.28 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.299 3.0 mp -81.04 128.95 69.33 Favored Pre-proline 2 CA--C 1.68 5.97 0 C-N-CA 127.243 2.217 . . . . 0.0 110.913 173.455 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.63 -21.98 70.24 Favored 'Trans proline' 3 C--N 1.541 10.659 0 C-N-CA 124.315 3.343 . . . . 0.0 117.645 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.14 37.44 2.2 Favored Glycine 1 C--N 1.43 5.758 0 CA-C-O 117.891 -1.505 . . . . 0.0 115.963 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.05 -178.05 39.07 Favored Glycine 2 C--N 1.445 6.632 0 C-N-CA 125.152 1.358 . . . . 0.0 116.149 174.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.03 -35.34 31.98 Favored 'General case' 0 N--CA 1.537 3.888 0 C-N-CA 128.384 2.674 . . . . 0.0 115.706 -177.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.64 -24.03 36.6 Favored 'General case' 2 N--CA 1.565 5.31 0 C-N-CA 126.945 2.098 . . . . 0.0 116.193 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.35 -41.65 16.55 Favored 'General case' 1 C--N 1.441 4.551 0 C-N-CA 127.266 2.226 . . . . 0.0 113.31 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -91.14 -56.7 3.06 Favored 'General case' 1 C--N 1.45 4.955 0 C-N-CA 127.251 2.22 . . . . 0.0 115.039 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.68 -32.96 15.99 Favored 'General case' 2 C--N 1.461 5.417 0 N-CA-C 117.805 2.52 . . . . 0.0 117.805 -173.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.32 -49.07 4.08 Favored Glycine 2 C--N 1.437 6.165 0 N-CA-C 117.573 1.789 . . . . 0.0 117.573 -172.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.577 84.3 mtm180 88.28 54.72 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.793 0 C-N-CA 130.597 3.559 . . . . 0.0 116.809 -179.168 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tp -111.15 132.33 54.39 Favored 'General case' 0 C--N 1.417 3.51 0 C-N-CA 127.609 2.364 . . . . 0.0 111.637 171.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -111.45 153.18 26.5 Favored 'General case' 0 N--CA 1.526 3.363 0 C-N-CA 127.66 2.384 . . . . 0.0 110.563 170.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.41 -27.69 25.08 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.061 0 C-N-CA 129.008 2.923 . . . . 0.0 115.996 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -91.72 9.33 32.96 Favored 'General case' 1 CA--C 1.67 5.591 0 C-N-CA 128.748 2.819 . . . . 0.0 112.253 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.25 1.8 m-20 -84.77 -31.91 23.69 Favored 'General case' 2 C--N 1.491 6.754 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 179.472 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.5 t 45.18 122.77 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.677 0 C-N-CA 129.379 3.072 . . . . 0.0 115.978 176.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.45 HG21 HG13 ' A' ' 64' ' ' VAL 0.256 28.4 mt -84.04 130.98 34.98 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.928 0 C-N-CA 125.283 1.433 . . . . 0.0 111.011 -176.529 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.5 pt? -97.75 -45.48 6.33 Favored 'General case' 1 C--N 1.432 4.189 0 O-C-N 125.218 1.574 . . . . 0.0 112.152 166.493 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -133.36 137.44 45.89 Favored 'General case' 1 C--N 1.448 4.888 0 O-C-N 124.981 1.426 . . . . 0.0 112.988 -176.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.45 HG13 HG21 ' A' ' 61' ' ' ILE 0.466 1.3 m -121.02 139.59 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.789 0 C-N-CA 124.754 1.221 . . . . 0.0 112.112 171.66 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 69.24 -5.34 1.11 Allowed 'General case' 2 N--CA 1.598 6.946 0 C-N-CA 128.838 2.855 . . . . 0.0 115.673 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.416 11.8 mm-40 92.54 7.77 0.04 OUTLIER 'General case' 3 N--CA 1.58 6.053 0 C-N-CA 131.451 3.9 . . . . 0.0 111.994 -160.254 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.386 28.4 m -95.51 151.6 3.89 Favored 'Isoleucine or valine' 1 C--N 1.463 5.535 0 C-N-CA 127.931 2.493 . . . . 0.0 113.723 178.01 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.431 4.4 p30 -84.33 101.95 12.34 Favored 'General case' 0 C--N 1.404 2.945 0 C-N-CA 127.36 2.264 . . . . 0.0 115.455 -173.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.476 27.8 m -97.83 -3.72 9.85 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.229 0 CA-C-N 112.878 -1.965 . . . . 0.0 115.574 176.277 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -46.06 -28.47 1.19 Allowed 'General case' 3 N--CA 1.596 6.844 0 C-N-CA 128.62 2.768 . . . . 0.0 116.625 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -151.85 82.1 1.28 Allowed 'General case' 1 C--N 1.459 5.365 0 C-N-CA 129.651 3.181 . . . . 0.0 108.741 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.561 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.293 17.6 m -141.89 163.81 19.21 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.613 0 C-N-CA 126.616 1.966 . . . . 0.0 111.015 178.399 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 p -78.88 163.98 24.84 Favored 'General case' 1 N--CA 1.57 5.532 0 C-N-CA 126.729 2.012 . . . . 0.0 111.364 166.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.279 55.9 p-80 -54.07 -52.05 62.15 Favored 'General case' 2 N--CA 1.597 6.922 0 C-N-CA 125.518 1.527 . . . . 0.0 114.24 177.081 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -60.66 -33.73 73.25 Favored 'General case' 2 N--CA 1.556 4.867 0 C-N-CA 126.979 2.112 . . . . 0.0 112.958 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.26 -24.37 63.97 Favored 'General case' 2 C--N 1.452 5.037 0 C-N-CA 128.327 2.651 . . . . 0.0 114.145 174.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.67 -31.83 16.45 Favored 'General case' 1 C--N 1.461 5.429 0 C-N-CA 126.744 2.017 . . . . 0.0 113.192 174.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.0 t -74.55 -41.54 48.87 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.736 0 C-N-CA 127.589 2.356 . . . . 0.0 111.488 176.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.08 -20.3 66.12 Favored 'General case' 1 N--CA 1.597 6.892 0 C-N-CA 128.575 2.75 . . . . 0.0 115.224 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.73 -29.65 62.37 Favored 'General case' 1 C--N 1.431 4.131 0 C-N-CA 126.626 1.97 . . . . 0.0 111.321 166.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.431 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.254 12.5 mt -93.04 -31.24 14.93 Favored 'General case' 1 C--N 1.456 5.23 0 C-N-CA 126.904 2.082 . . . . 0.0 116.107 -178.768 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -85.01 -38.54 19.1 Favored 'General case' 1 N--CA 1.544 4.257 0 C-N-CA 127.341 2.256 . . . . 0.0 113.104 176.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.268 39.2 mt-10 -90.0 -17.23 28.23 Favored 'General case' 2 N--CA 1.59 6.544 0 N-CA-C 120.011 3.337 . . . . 0.0 120.011 -175.809 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.49 -22.93 46.99 Favored 'General case' 3 N--CA 1.592 6.641 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.83 -35.12 5.2 Favored Glycine 1 C--N 1.423 5.379 0 N-CA-C 119.822 2.689 . . . . 0.0 119.822 165.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 t -173.42 -30.96 0.01 OUTLIER 'General case' 1 N--CA 1.566 5.365 0 C-N-CA 128.324 2.65 . . . . 0.0 111.016 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.276 23.4 mm -123.1 124.83 71.04 Favored 'Isoleucine or valine' 1 C--N 1.437 4.41 0 C-N-CA 125.545 1.538 . . . . 0.0 109.563 -178.96 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.371 23.3 m -124.57 121.54 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.758 0 C-N-CA 127.906 2.483 . . . . 0.0 111.945 178.551 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.406 37.0 ptt180 -113.46 99.69 7.95 Favored 'General case' 1 N--CA 1.556 4.829 0 C-N-CA 125.824 1.649 . . . . 0.0 115.302 -176.054 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.26 137.04 32.68 Favored 'General case' 0 N--CA 1.533 3.715 0 C-N-CA 127.321 2.248 . . . . 0.0 114.144 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -118.6 110.38 17.28 Favored 'General case' 1 C--O 1.318 4.666 0 C-N-CA 126.694 1.998 . . . . 0.0 110.57 177.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 31.3 m -106.48 159.39 6.35 Favored 'Isoleucine or valine' 2 CA--C 1.659 5.144 0 O-C-N 127.106 2.754 . . . . 0.0 114.793 -176.398 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.286 25.8 ptt? -128.15 120.97 28.41 Favored 'General case' 1 N--CA 1.572 5.66 0 C-N-CA 127.467 2.307 . . . . 0.0 114.644 -175.21 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.413 ' HG3' ' HG3' ' A' ' 6' ' ' GLU 0.354 35.4 ptt180 . . . . . 1 N--CA 1.54 4.029 0 C-N-CA 127.007 2.123 . . . . 0.0 112.099 175.926 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 71.2 m . . . . . 1 CA--C 1.633 4.157 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 1 C--N 1.433 4.213 0 C-N-CA 127.077 2.151 . . . . 0.0 109.513 -173.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 . . . . . 1 N--CA 1.558 4.934 0 CA-C-O 121.29 0.566 . . . . 0.0 111.65 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -104.22 144.1 32.06 Favored 'General case' 1 N--CA 1.55 4.553 0 C-N-CA 126.495 1.918 . . . . 0.0 113.051 -177.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -130.62 133.07 45.84 Favored 'General case' 2 N--CA 1.552 4.664 0 C-N-CA 124.58 1.152 . . . . 0.0 111.578 -177.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.287 11.5 pt-20 -106.23 113.03 26.31 Favored 'General case' 2 N--CA 1.541 4.098 0 C-N-CA 126.501 1.92 . . . . 0.0 112.661 175.393 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -114.96 146.9 18.8 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.1 0 C-N-CA 125.306 1.442 . . . . 0.0 110.634 -176.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.28 127.23 55.33 Favored 'General case' 2 N--CA 1.552 4.675 0 C-N-CA 127.246 2.218 . . . . 0.0 113.571 172.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.536 3.851 0 C-N-CA 126.798 2.039 . . . . 0.0 113.258 176.704 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.573 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 117.211 1.644 . . . . 0.0 117.211 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -158.95 165.05 34.99 Favored 'General case' 0 CA--C 1.624 3.796 0 C-N-CA 128.774 2.83 . . . . 0.0 108.561 167.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.58 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 75.7 m -131.31 139.25 49.52 Favored 'General case' 1 C--N 1.437 4.404 0 C-N-CA 125.645 1.578 . . . . 0.0 110.098 170.426 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' B' ' 8' ' ' SER 0.512 2.1 pp -113.97 122.74 68.68 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.256 0 N-CA-C 119.216 3.043 . . . . 0.0 119.216 -174.025 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.53 117.61 34.56 Favored 'General case' 0 C--N 1.427 3.953 0 CA-C-N 113.505 -1.68 . . . . 0.0 111.464 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.72 153.26 14.54 Favored Glycine 0 C--N 1.382 3.133 0 CA-C-N 113.399 -1.728 . . . . 0.0 113.089 -174.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.05 147.66 6.32 Favored Glycine 0 N--CA 1.514 3.861 0 N-CA-C 117.794 1.877 . . . . 0.0 117.794 -169.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.253 6.1 p -96.78 -33.27 11.74 Favored 'General case' 1 N--CA 1.56 5.073 0 C-N-CA 126.433 1.893 . . . . 0.0 113.268 167.629 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.72 -38.56 7.02 Favored 'General case' 1 C--N 1.432 4.164 0 C-N-CA 125.915 1.686 . . . . 0.0 112.473 175.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 . . . . . 2 CA--C 1.689 6.296 0 C-N-CA 126.568 1.947 . . . . 0.0 110.552 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 2 N--CA 1.566 5.34 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 1.605 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.261 0.7 OUTLIER -98.18 129.09 48.92 Favored 'Isoleucine or valine' 3 C--N 1.444 4.677 0 C-N-CA 126.15 1.78 . . . . 0.0 109.835 -178.744 . . . . . . . . 5 4 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -134.99 158.94 43.05 Favored 'General case' 1 N--CA 1.557 4.88 0 C-N-CA 128.281 2.632 . . . . 0.0 111.312 -176.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -90.31 144.43 9.13 Favored 'Isoleucine or valine' 2 C--N 1.462 5.459 0 C-N-CA 125.998 1.719 . . . . 0.0 109.766 172.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.432 14.0 t -145.52 -28.09 0.45 Allowed 'General case' 1 N--CA 1.555 4.782 0 C-N-CA 126.453 1.901 . . . . 0.0 113.627 179.632 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 11.3 tmtt? -122.96 125.62 45.64 Favored 'General case' 1 C--N 1.459 5.35 0 O-C-N 124.163 0.914 . . . . 0.0 110.702 -179.051 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.608 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 41.1 mm -122.15 128.67 75.61 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.167 0 C-N-CA 127.119 2.168 . . . . 0.0 108.442 174.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.29 3.9 mp -83.58 130.24 56.73 Favored Pre-proline 1 CA--C 1.682 6.034 0 C-N-CA 125.689 1.596 . . . . 0.0 109.951 172.705 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.65 -22.02 70.13 Favored 'Trans proline' 3 C--N 1.536 10.408 0 C-N-CA 124.401 3.4 . . . . 0.0 117.706 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.57 46.06 1.09 Allowed Glycine 1 C--N 1.428 5.668 0 O-C-N 124.753 1.283 . . . . 0.0 115.292 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.573 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -99.24 -177.37 31.64 Favored Glycine 2 C--N 1.434 6.002 0 C-N-CA 125.832 1.682 . . . . 0.0 115.093 173.678 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.72 -39.09 27.63 Favored 'General case' 1 N--CA 1.546 4.332 0 C-N-CA 126.842 2.057 . . . . 0.0 116.445 -176.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.27 -24.72 37.1 Favored 'General case' 2 N--CA 1.557 4.895 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.19 -46.2 12.13 Favored 'General case' 1 C--N 1.45 4.947 0 C-N-CA 127.674 2.389 . . . . 0.0 113.785 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -90.65 -53.04 4.59 Favored 'General case' 1 C--N 1.45 4.943 0 C-N-CA 127.649 2.38 . . . . 0.0 114.913 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.91 -35.7 14.59 Favored 'General case' 1 C--N 1.455 5.172 0 N-CA-C 117.947 2.573 . . . . 0.0 117.947 -172.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.3 -74.68 1.29 Allowed Glycine 2 C--N 1.463 7.616 0 N-CA-C 118.187 2.035 . . . . 0.0 118.187 -170.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 173.79 -25.87 0.0 OUTLIER 'General case' 2 N--CA 1.623 8.188 0 C-N-CA 129.217 3.007 . . . . 0.0 114.215 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . 0.29 2.0 tt -77.92 128.78 34.47 Favored 'General case' 1 C--N 1.453 5.069 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -161.996 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -111.32 155.4 23.11 Favored 'General case' 0 CA--C 1.612 3.36 0 C-N-CA 129.156 2.983 . . . . 0.0 110.57 170.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 p -54.23 -27.18 16.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.41 0 C-N-CA 129.626 3.17 . . . . 0.0 116.138 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -91.32 8.9 33.8 Favored 'General case' 1 CA--C 1.668 5.483 0 C-N-CA 128.586 2.754 . . . . 0.0 112.395 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.98 -35.52 17.57 Favored 'General case' 2 C--N 1.484 6.43 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.271 70.3 m 44.74 118.47 0.0 OUTLIER 'General case' 2 N--CA 1.591 6.59 0 C-N-CA 129.557 3.143 . . . . 0.0 117.044 177.27 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mt -85.26 127.77 39.67 Favored 'Isoleucine or valine' 1 N--CA 1.565 5.296 0 C-N-CA 125.062 1.345 . . . . 0.0 110.376 -175.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.5 pt? -93.36 -43.36 8.82 Favored 'General case' 0 C--N 1.428 3.985 0 O-C-N 125.063 1.477 . . . . 0.0 112.652 170.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -129.82 127.32 40.04 Favored 'General case' 2 C--N 1.447 4.819 0 O-C-N 125.108 1.505 . . . . 0.0 113.517 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 t -115.04 129.86 70.52 Favored 'Isoleucine or valine' 1 N--CA 1.593 6.694 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 -178.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 74.43 -4.95 2.2 Favored 'General case' 2 N--CA 1.629 8.504 0 C-N-CA 128.625 2.77 . . . . 0.0 114.597 -174.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.399 46.8 mt-10 89.12 7.9 0.11 Allowed 'General case' 3 N--CA 1.582 6.145 0 C-N-CA 130.976 3.711 . . . . 0.0 111.654 -159.621 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.401 21.4 m -94.62 156.01 3.19 Favored 'Isoleucine or valine' 1 C--N 1.468 5.75 0 C-N-CA 126.74 2.016 . . . . 0.0 113.841 178.972 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.442 4.5 p-10 -82.02 98.0 8.4 Favored 'General case' 0 C--N 1.414 3.393 0 C-N-CA 127.095 2.158 . . . . 0.0 115.21 -173.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.422 26.4 m -91.61 -15.31 8.35 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.208 0 CA-C-N 112.741 -2.027 . . . . 0.0 115.124 176.548 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.307 17.0 ptm180 -44.66 -26.51 0.39 Allowed 'General case' 3 N--CA 1.583 6.179 0 C-N-CA 128.582 2.753 . . . . 0.0 118.173 -179.61 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -145.88 73.69 1.35 Allowed 'General case' 1 C--N 1.442 4.623 0 C-N-CA 129.443 3.097 . . . . 0.0 108.982 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 1.587 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.293 16.7 m -142.78 159.99 18.52 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.628 0 C-N-CA 126.756 2.022 . . . . 0.0 110.635 178.051 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -77.6 163.68 26.03 Favored 'General case' 1 N--CA 1.575 5.818 0 C-N-CA 126.59 1.956 . . . . 0.0 111.8 167.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.319 26.4 p-80 -51.0 -52.68 40.36 Favored 'General case' 2 N--CA 1.595 6.777 0 C-N-CA 125.933 1.693 . . . . 0.0 114.635 175.61 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 m -59.24 -35.94 74.56 Favored 'General case' 2 N--CA 1.567 5.394 0 C-N-CA 126.963 2.105 . . . . 0.0 113.538 176.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.38 -22.71 61.84 Favored 'General case' 2 C--N 1.452 5.031 0 C-N-CA 128.643 2.777 . . . . 0.0 114.303 174.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.6 -32.61 16.19 Favored 'General case' 1 C--N 1.46 5.386 0 C-N-CA 126.971 2.108 . . . . 0.0 112.78 175.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -75.23 -39.91 43.06 Favored 'Isoleucine or valine' 3 N--CA 1.588 6.428 0 C-N-CA 128.209 2.604 . . . . 0.0 110.721 175.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.8 mt-10 -65.56 -16.96 64.21 Favored 'General case' 2 N--CA 1.591 6.591 0 C-N-CA 128.019 2.528 . . . . 0.0 114.587 175.198 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.83 -28.02 55.36 Favored 'General case' 0 CA--C 1.629 3.999 0 C-N-CA 127.28 2.232 . . . . 0.0 111.748 166.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.507 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.3 mt -91.1 -45.89 8.43 Favored 'General case' 1 C--N 1.46 5.396 0 C-N-CA 126.091 1.756 . . . . 0.0 114.534 177.102 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.01 -32.83 61.72 Favored 'General case' 1 N--CA 1.547 4.4 0 C-N-CA 127.838 2.455 . . . . 0.0 114.333 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.277 40.2 mt-10 -89.8 -17.67 27.72 Favored 'General case' 2 N--CA 1.587 6.413 0 N-CA-C 119.698 3.221 . . . . 0.0 119.698 -178.116 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.76 -24.77 64.33 Favored 'General case' 3 N--CA 1.597 6.918 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.9 -34.95 4.84 Favored Glycine 1 C--N 1.421 5.272 0 N-CA-C 119.02 2.368 . . . . 0.0 119.02 165.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.3 t -177.18 -30.11 0.01 OUTLIER 'General case' 2 N--CA 1.567 5.392 0 C-N-CA 128.596 2.758 . . . . 0.0 111.032 -175.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.285 21.8 mm -123.83 116.1 47.07 Favored 'Isoleucine or valine' 1 C--N 1.442 4.599 0 C-N-CA 125.846 1.658 . . . . 0.0 109.071 -175.588 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.507 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.275 0.0 OUTLIER -119.8 122.71 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.027 0 CA-C-N 111.99 -2.368 . . . . 0.0 113.362 -177.167 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.385 36.4 ptt180 -109.5 103.71 12.65 Favored 'General case' 1 N--CA 1.551 4.607 0 C-N-CA 126.958 2.103 . . . . 0.0 114.875 -178.079 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.0 141.36 32.92 Favored 'General case' 0 N--CA 1.532 3.638 0 C-N-CA 127.69 2.396 . . . . 0.0 113.69 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -120.14 112.33 18.96 Favored 'General case' 0 C--O 1.3 3.717 0 C-N-CA 126.708 2.003 . . . . 0.0 111.525 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.254 33.4 m -105.3 160.12 5.45 Favored 'Isoleucine or valine' 2 N--CA 1.572 5.641 0 O-C-N 126.458 2.349 . . . . 0.0 115.25 -175.781 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.302 25.5 ptt? -127.13 116.77 21.18 Favored 'General case' 2 N--CA 1.563 5.198 0 C-N-CA 127.809 2.444 . . . . 0.0 114.017 -175.164 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 . . . . . 0 CA--C 1.628 3.96 0 C-N-CA 126.999 2.119 . . . . 0.0 109.788 -179.301 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.426 ' HB3' HD12 ' A' ' 23' ' ' ILE . 48.9 m . . . . . 2 N--CA 1.549 4.509 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 1.546 ' CA ' ' CB ' ' B' ' 9' ' ' VAL . 3.3 t . . . . . 3 C--N 1.461 5.416 0 C-N-CA 126.848 2.059 . . . . 0.0 107.596 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.324 10.4 pt-20 . . . . . 1 N--CA 1.551 4.618 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 2 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -102.19 142.73 32.96 Favored 'General case' 1 N--CA 1.549 4.501 0 C-N-CA 126.145 1.778 . . . . 0.0 113.043 -177.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -126.96 131.49 51.06 Favored 'General case' 1 C--N 1.434 4.251 0 C-N-CA 124.712 1.205 . . . . 0.0 110.884 -177.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.295 11.6 pt-20 -105.97 113.25 26.69 Favored 'General case' 0 C--N 1.422 3.728 0 C-N-CA 126.454 1.902 . . . . 0.0 112.407 175.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -111.46 136.59 47.08 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.284 0 C-N-CA 124.742 1.217 . . . . 0.0 109.136 -178.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -121.95 116.19 23.9 Favored 'General case' 0 N--CA 1.528 3.448 0 C-N-CA 125.76 1.624 . . . . 0.0 107.694 173.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.406 3.035 0 C-N-CA 126.949 2.1 . . . . 0.0 112.012 -177.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.754 0 CA-C-O 119.256 -0.747 . . . . 0.0 113.401 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -156.19 170.28 22.6 Favored 'General case' 1 C--N 1.449 4.918 0 C-N-CA 128.547 2.739 . . . . 0.0 109.133 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 67.3 m -137.13 145.28 43.64 Favored 'General case' 1 C--N 1.444 4.69 0 C-N-CA 125.057 1.343 . . . . 0.0 111.028 169.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.551 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.545 2.3 pp -119.37 124.57 73.25 Favored 'Isoleucine or valine' 2 N--CA 1.57 5.533 0 N-CA-C 119.389 3.107 . . . . 0.0 119.389 -174.588 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.17 117.72 34.8 Favored 'General case' 1 C--N 1.44 4.518 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.006 -176.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.34 158.67 31.52 Favored Glycine 0 N--CA 1.512 3.709 0 C-N-CA 125.909 1.718 . . . . 0.0 113.229 -175.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.31 147.5 6.29 Favored Glycine 1 C--N 1.399 4.044 0 N-CA-C 118.366 2.106 . . . . 0.0 118.366 -171.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.251 8.5 p -101.87 -38.08 7.98 Favored 'General case' 1 N--CA 1.559 4.982 0 C-N-CA 126.342 1.857 . . . . 0.0 113.219 166.349 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -103.23 -36.29 8.14 Favored 'General case' 1 C--N 1.432 4.185 0 C-N-CA 125.885 1.674 . . . . 0.0 112.548 176.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.254 45.7 m-80 . . . . . 2 CA--C 1.655 4.999 0 C-N-CA 127.238 2.215 . . . . 0.0 112.641 179.651 . . . . . . . . 2 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 1 N--CA 1.556 4.864 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.278 0.7 OUTLIER -97.87 120.72 47.57 Favored 'Isoleucine or valine' 3 C--N 1.442 4.589 0 C-N-CA 125.844 1.658 . . . . 0.0 109.716 -177.401 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -126.83 149.25 49.8 Favored 'General case' 1 N--CA 1.54 4.068 0 C-N-CA 129.467 3.107 . . . . 0.0 112.002 -170.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -88.14 141.12 14.75 Favored 'Isoleucine or valine' 2 C--N 1.453 5.101 0 C-N-CA 125.93 1.692 . . . . 0.0 109.967 175.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.315 9.6 p -143.44 -29.43 0.52 Allowed 'General case' 1 N--CA 1.554 4.766 0 C-N-CA 127.363 2.265 . . . . 0.0 114.0 -177.837 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.9 tmtt? -121.38 125.05 46.01 Favored 'General case' 1 C--N 1.466 5.659 0 O-C-N 123.917 0.76 . . . . 0.0 111.206 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 1.63 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 43.4 mm -123.87 127.71 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.606 3.1 0 C-N-CA 126.988 2.115 . . . . 0.0 108.012 174.195 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.1 mp -83.74 124.1 75.43 Favored Pre-proline 1 CA--C 1.679 5.921 0 C-N-CA 126.163 1.785 . . . . 0.0 109.672 173.698 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.28 -19.96 66.11 Favored 'Trans proline' 3 C--N 1.54 10.612 0 C-N-CA 124.509 3.473 . . . . 0.0 117.779 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.97 41.23 1.53 Allowed Glycine 1 C--N 1.425 5.515 0 CA-C-O 118.272 -1.293 . . . . 0.0 115.601 176.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.71 -178.02 39.56 Favored Glycine 2 C--N 1.443 6.526 0 C-N-CA 125.333 1.444 . . . . 0.0 115.436 173.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.0 -38.58 27.29 Favored 'General case' 1 N--CA 1.543 4.218 0 C-N-CA 127.932 2.493 . . . . 0.0 116.104 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.44 -25.36 36.19 Favored 'General case' 2 N--CA 1.556 4.855 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 177.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.23 -45.85 11.6 Favored 'General case' 1 C--N 1.453 5.087 0 C-N-CA 127.81 2.444 . . . . 0.0 114.036 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -90.33 -51.45 5.42 Favored 'General case' 1 C--N 1.451 4.999 0 C-N-CA 127.584 2.354 . . . . 0.0 114.938 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.73 -31.37 16.59 Favored 'General case' 1 C--N 1.455 5.165 0 N-CA-C 117.071 2.248 . . . . 0.0 117.071 -174.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.64 -74.16 1.28 Allowed Glycine 2 C--N 1.468 7.892 0 CA-C-O 117.412 -1.771 . . . . 0.0 117.199 -175.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.251 43.8 mtp180 166.25 -23.06 0.0 OUTLIER 'General case' 2 N--CA 1.621 8.086 0 C-N-CA 130.437 3.495 . . . . 0.0 114.019 178.686 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.64 128.5 36.47 Favored 'General case' 1 C--N 1.458 5.301 0 N-CA-C 117.325 2.343 . . . . 0.0 117.325 -163.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.64 153.43 26.38 Favored 'General case' 0 N--CA 1.523 3.196 0 C-N-CA 128.939 2.896 . . . . 0.0 111.068 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.56 -25.63 18.21 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.452 0 C-N-CA 129.794 3.237 . . . . 0.0 116.112 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -91.61 8.47 36.59 Favored 'General case' 1 CA--C 1.664 5.354 0 C-N-CA 128.783 2.833 . . . . 0.0 112.382 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.19 -36.41 24.7 Favored 'General case' 2 C--N 1.488 6.588 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.251 50.7 m 45.44 118.71 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.798 0 C-N-CA 129.279 3.032 . . . . 0.0 116.619 178.45 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 64' ' ' VAL . 6.7 mt -85.53 128.94 38.72 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.267 0 C-N-CA 124.845 1.258 . . . . 0.0 110.716 -174.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.25 1.5 pt? -95.92 -42.84 8.1 Favored 'General case' 0 C--N 1.425 3.877 0 O-C-N 125.162 1.539 . . . . 0.0 112.767 169.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -132.35 123.39 26.7 Favored 'General case' 1 C--N 1.451 4.987 0 O-C-N 124.867 1.354 . . . . 0.0 113.125 -176.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.506 ' O ' HG22 ' A' ' 67' ' ' VAL 0.375 2.8 p -120.9 129.71 75.4 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.26 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.348 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t30 74.87 0.53 3.57 Favored 'General case' 2 N--CA 1.627 8.417 0 C-N-CA 128.752 2.821 . . . . 0.0 111.089 -171.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.389 11.8 mm-40 86.57 15.33 0.11 Allowed 'General case' 3 N--CA 1.571 5.591 0 C-N-CA 131.452 3.901 . . . . 0.0 111.845 -161.115 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 64' ' ' VAL 0.353 5.0 m -93.15 155.12 3.16 Favored 'Isoleucine or valine' 1 C--N 1.477 6.12 0 C-N-CA 126.498 1.919 . . . . 0.0 113.05 -177.822 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.438 4.4 p30 -83.75 92.71 7.79 Favored 'General case' 0 C--N 1.403 2.909 0 O-C-N 126.063 2.102 . . . . 0.0 114.544 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.486 30.2 m -89.84 -7.32 10.82 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.273 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 177.251 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.292 17.0 ptm180 -46.97 -25.94 0.9 Allowed 'General case' 2 N--CA 1.582 6.137 0 C-N-CA 128.521 2.728 . . . . 0.0 118.192 178.294 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.12 77.13 1.07 Allowed 'General case' 1 C--N 1.445 4.754 0 C-N-CA 128.562 2.745 . . . . 0.0 107.325 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 18.8 m -142.56 162.68 18.37 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.902 0 C-N-CA 127.166 2.186 . . . . 0.0 110.935 178.586 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 p -78.66 165.23 23.88 Favored 'General case' 1 N--CA 1.572 5.654 0 C-N-CA 126.966 2.106 . . . . 0.0 111.822 166.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.269 54.3 p-80 -51.25 -53.23 37.39 Favored 'General case' 2 N--CA 1.6 7.06 0 C-N-CA 126.371 1.868 . . . . 0.0 114.218 175.532 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -57.71 -38.12 74.7 Favored 'General case' 2 N--CA 1.563 5.199 0 C-N-CA 127.028 2.131 . . . . 0.0 114.084 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.32 -23.0 63.73 Favored 'General case' 1 C--N 1.445 4.74 0 C-N-CA 129.039 2.935 . . . . 0.0 114.39 175.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.62 -33.99 15.63 Favored 'General case' 1 C--N 1.461 5.449 0 C-N-CA 126.75 2.02 . . . . 0.0 113.164 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.81 -42.8 53.96 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.728 0 C-N-CA 127.512 2.325 . . . . 0.0 111.549 177.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.87 -19.12 65.77 Favored 'General case' 1 N--CA 1.571 5.605 0 C-N-CA 128.931 2.892 . . . . 0.0 115.069 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.67 60.4 Favored 'General case' 1 C--N 1.435 4.298 0 C-N-CA 127.789 2.436 . . . . 0.0 112.356 168.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -91.42 -34.89 14.67 Favored 'General case' 2 C--N 1.458 5.317 0 C-N-CA 127.285 2.234 . . . . 0.0 113.261 176.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -78.76 -24.89 44.46 Favored 'General case' 1 C--N 1.431 4.141 0 C-N-CA 127.805 2.442 . . . . 0.0 113.294 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.358 11.1 pt-20 -70.09 -43.0 71.98 Favored 'General case' 2 N--CA 1.575 5.794 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 174.132 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.48 ' HB3' HG23 ' A' ' 88' ' ' VAL . . . -63.01 -23.12 67.3 Favored 'General case' 1 C--N 1.454 5.13 0 C-N-CA 126.051 1.74 . . . . 0.0 114.898 -176.519 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.03 -34.31 1.7 Allowed Glycine 1 C--N 1.423 5.416 0 N-CA-C 121.788 3.475 . . . . 0.0 121.788 170.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -156.67 -30.83 0.09 Allowed 'General case' 0 N--CA 1.535 3.81 0 C-N-CA 127.473 2.309 . . . . 0.0 111.886 -169.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.276 30.3 mm -130.88 99.91 4.42 Favored 'Isoleucine or valine' 2 C--N 1.44 4.516 0 C-N-CA 125.781 1.632 . . . . 0.0 108.236 -173.983 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 84' ' ' ALA 0.313 0.8 OUTLIER -107.0 126.54 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.353 0 O-C-N 125.941 2.026 . . . . 0.0 114.123 -177.23 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.398 37.9 ptt180 -115.51 99.65 7.51 Favored 'General case' 1 N--CA 1.557 4.922 0 C-N-CA 125.997 1.719 . . . . 0.0 115.134 -176.797 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.59 141.01 31.96 Favored 'General case' 0 N--CA 1.529 3.49 0 C-N-CA 128.044 2.538 . . . . 0.0 113.588 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -120.96 113.0 19.47 Favored 'General case' 0 C--O 1.298 3.612 0 C-N-CA 126.81 2.044 . . . . 0.0 111.142 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 33.1 m -107.32 159.36 6.95 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.27 0 O-C-N 126.684 2.49 . . . . 0.0 115.131 -174.546 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.36 0.0 OUTLIER -124.67 119.21 28.34 Favored 'General case' 2 N--CA 1.562 5.154 0 C-N-CA 127.1 2.16 . . . . 0.0 114.748 -176.498 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 . . . . . 0 N--CA 1.538 3.938 0 C-N-CA 128.477 2.711 . . . . 0.0 110.926 179.074 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.551 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 72.4 m . . . . . 2 CA--C 1.642 4.489 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 1.538 ' CA ' ' CB ' ' B' ' 9' ' ' VAL 0.262 3.2 t . . . . . 2 C--N 1.449 4.926 0 C-N-CA 126.492 1.917 . . . . 0.0 108.611 -174.767 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 CA-C-O 119.436 -0.647 . . . . 0.0 112.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.07 -0.11 29.1 Favored 'General case' 1 N--CA 1.558 4.947 0 C-N-CA 126.326 1.851 . . . . 0.0 115.607 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 50.6 mtt -97.32 116.68 29.97 Favored 'General case' 1 N--CA 1.542 4.166 0 C-N-CA 126.764 2.026 . . . . 0.0 114.09 -176.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -103.75 165.83 10.8 Favored 'General case' 1 N--CA 1.543 4.222 0 CA-C-N 112.566 -2.107 . . . . 0.0 113.525 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.287 18.3 ptt? -107.27 158.0 17.47 Favored 'General case' 0 CA--C 1.627 3.919 0 C-N-CA 128.645 2.778 . . . . 0.0 115.047 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.303 10.8 pt-20 -129.83 121.95 27.75 Favored 'General case' 1 N--CA 1.55 4.567 0 C-N-CA 128.875 2.87 . . . . 0.0 111.923 -178.041 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -100.08 143.64 30.05 Favored 'General case' 1 N--CA 1.552 4.65 0 C-N-CA 126.085 1.754 . . . . 0.0 113.539 -174.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -129.39 131.42 46.81 Favored 'General case' 2 C--N 1.439 4.461 0 O-C-N 124.473 1.108 . . . . 0.0 111.46 -178.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.296 11.4 pt-20 -104.93 111.59 24.41 Favored 'General case' 0 C--N 1.423 3.761 0 C-N-CA 126.496 1.918 . . . . 0.0 112.465 174.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -113.63 142.1 27.31 Favored 'Isoleucine or valine' 2 N--CA 1.549 4.478 0 C-N-CA 125.552 1.541 . . . . 0.0 108.756 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 m -117.14 120.96 39.91 Favored 'General case' 0 N--CA 1.536 3.837 0 C-N-CA 125.9 1.68 . . . . 0.0 108.836 176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.93 148.22 37.2 Favored 'General case' 0 N--CA 1.522 3.146 0 C-N-CA 127.475 2.31 . . . . 0.0 113.758 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -101.85 128.36 48.26 Favored 'General case' 0 N--CA 1.536 3.832 0 C-N-CA 126.771 2.029 . . . . 0.0 107.661 170.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -56.97 111.11 0.94 Allowed 'General case' 2 N--CA 1.56 5.073 0 C-N-CA 128.137 2.575 . . . . 0.0 112.866 -174.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -64.53 153.6 49.1 Favored Glycine 2 N--CA 1.551 6.346 0 N-CA-C 118.685 2.234 . . . . 0.0 118.685 -173.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -74.96 -30.32 61.17 Favored 'General case' 1 N--CA 1.574 5.758 0 C-N-CA 127.501 2.32 . . . . 0.0 114.228 178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.6 m -94.39 -20.37 19.79 Favored 'General case' 1 C--N 1.434 4.243 0 C-N-CA 127.404 2.282 . . . . 0.0 113.07 173.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.47 59.1 0.43 Allowed Glycine 1 C--N 1.455 7.14 0 C-N-CA 125.967 1.746 . . . . 0.0 112.574 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.55 4.3 mm? 68.78 -47.4 0.56 Allowed 'General case' 2 C--N 1.448 4.852 0 N-CA-C 119.939 3.311 . . . . 0.0 119.939 -178.859 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.61 31.01 3.84 Favored Glycine 2 N--CA 1.524 4.56 0 C-N-CA 125.209 1.385 . . . . 0.0 116.058 178.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -156.22 172.41 18.5 Favored 'General case' 2 C--N 1.434 4.253 0 C-N-CA 128.985 2.914 . . . . 0.0 109.124 176.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 73.7 m -138.86 144.51 39.25 Favored 'General case' 1 C--N 1.445 4.749 0 C-N-CA 125.076 1.35 . . . . 0.0 110.883 168.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.605 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.631 2.0 pp -115.47 127.35 73.08 Favored 'Isoleucine or valine' 2 N--CA 1.553 4.723 0 N-CA-C 119.92 3.304 . . . . 0.0 119.92 -175.15 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.542 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -105.34 117.52 34.22 Favored 'General case' 1 C--N 1.448 4.89 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.12 -178.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.84 161.16 26.6 Favored Glycine 0 N--CA 1.512 3.719 0 O-C-N 124.552 1.157 . . . . 0.0 114.699 -174.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.29 162.27 26.29 Favored Glycine 0 C--N 1.397 3.918 0 N-CA-C 117.042 1.577 . . . . 0.0 117.042 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.3 p -104.62 -38.35 6.77 Favored 'General case' 1 N--CA 1.556 4.868 0 C-N-CA 127.098 2.159 . . . . 0.0 111.902 164.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -106.09 -30.34 9.33 Favored 'General case' 1 C--N 1.436 4.328 0 C-N-CA 126.568 1.947 . . . . 0.0 113.183 175.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -100.09 106.3 40.69 Favored Pre-proline 2 CA--C 1.661 5.231 0 C-N-CA 127.011 2.124 . . . . 0.0 113.101 -178.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.629 ' HB3' ' H ' ' A' ' 34' ' ' ASP . 33.0 Cg_exo -68.64 169.88 16.42 Favored 'Trans proline' 3 C--N 1.546 10.967 0 C-N-CA 124.702 3.602 . . . . 0.0 117.743 177.201 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -119.22 -45.98 2.53 Favored 'General case' 2 C--N 1.443 4.65 0 C-N-CA 127.047 2.139 . . . . 0.0 111.902 167.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.299 3.8 tp -115.45 -31.29 1.96 Allowed 'Isoleucine or valine' 1 CA--C 1.648 4.738 0 C-N-CA 127.975 2.51 . . . . 0.0 112.219 -170.286 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.68 71.96 0.02 OUTLIER Glycine 0 C--N 1.391 3.615 0 C-N-CA 127.69 2.567 . . . . 0.0 113.289 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.629 ' H ' ' HB3' ' A' ' 30' ' ' PRO 0.496 8.3 m-20 73.91 80.54 0.12 Allowed 'General case' 2 N--CA 1.55 4.527 0 C-N-CA 131.111 3.765 . . . . 0.0 114.702 179.967 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -87.39 131.38 44.3 Favored Pre-proline 1 CA--C 1.644 4.582 0 C-N-CA 128.561 2.744 . . . . 0.0 115.952 -177.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -83.39 -39.98 0.12 Allowed 'Trans proline' 3 C--N 1.549 11.091 0 C-N-CA 123.358 2.705 . . . . 0.0 117.306 168.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 p -100.31 155.94 17.51 Favored 'General case' 2 C--N 1.447 4.839 0 C-N-CA 127.403 2.281 . . . . 0.0 114.491 -176.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.273 1.0 OUTLIER -96.34 119.27 44.18 Favored 'Isoleucine or valine' 3 C--N 1.451 5.013 0 C-N-CA 125.797 1.639 . . . . 0.0 109.611 -178.276 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -121.25 147.13 46.06 Favored 'General case' 1 N--CA 1.542 4.142 0 C-N-CA 129.585 3.154 . . . . 0.0 112.079 -170.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.59 139.64 17.05 Favored 'Isoleucine or valine' 2 C--N 1.45 4.977 0 C-N-CA 125.873 1.669 . . . . 0.0 110.349 176.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.384 13.8 p -145.81 -24.95 0.46 Allowed 'General case' 1 N--CA 1.556 4.86 0 C-N-CA 127.239 2.216 . . . . 0.0 114.239 -179.598 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.451 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.1 tmtm? -121.38 125.63 47.43 Favored 'General case' 1 C--N 1.472 5.907 0 CA-C-N 118.439 0.563 . . . . 0.0 111.043 177.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.636 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 43.2 mm -123.92 129.62 74.24 Favored 'Isoleucine or valine' 0 C--N 1.415 3.431 0 C-N-CA 126.867 2.067 . . . . 0.0 108.647 173.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.291 3.2 mp -83.86 131.02 52.98 Favored Pre-proline 2 CA--C 1.678 5.903 0 C-N-CA 126.391 1.877 . . . . 0.0 110.517 172.62 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.96 -21.44 63.83 Favored 'Trans proline' 3 C--N 1.538 10.503 0 C-N-CA 124.168 3.245 . . . . 0.0 117.649 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.58 38.7 1.95 Allowed Glycine 1 C--N 1.429 5.723 0 CA-C-O 117.911 -1.494 . . . . 0.0 116.397 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.53 -178.12 38.37 Favored Glycine 2 C--N 1.444 6.536 0 C-N-CA 124.937 1.256 . . . . 0.0 115.898 173.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.01 -37.63 28.85 Favored 'General case' 0 N--CA 1.539 3.977 0 C-N-CA 128.472 2.709 . . . . 0.0 115.778 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.42 -23.61 37.43 Favored 'General case' 2 N--CA 1.56 5.037 0 C-N-CA 126.755 2.022 . . . . 0.0 116.069 177.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.04 -42.89 16.94 Favored 'General case' 1 C--N 1.447 4.825 0 C-N-CA 127.403 2.281 . . . . 0.0 113.242 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -91.24 -57.24 2.86 Favored 'General case' 1 C--N 1.451 4.987 0 C-N-CA 127.309 2.244 . . . . 0.0 115.215 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.71 -33.15 15.88 Favored 'General case' 2 C--N 1.46 5.37 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 -172.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.52 -50.8 3.88 Favored Glycine 2 C--N 1.438 6.225 0 N-CA-C 117.308 1.683 . . . . 0.0 117.308 -173.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.593 99.3 mtt180 91.61 53.0 0.0 OUTLIER 'General case' 2 N--CA 1.574 5.725 0 C-N-CA 130.707 3.603 . . . . 0.0 116.745 -179.31 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.25 129.19 56.05 Favored 'General case' 0 C--N 1.415 3.454 0 C-N-CA 127.712 2.405 . . . . 0.0 111.21 170.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -111.1 154.39 24.34 Favored 'General case' 0 N--CA 1.525 3.321 0 C-N-CA 127.513 2.325 . . . . 0.0 110.794 171.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.52 -28.87 16.3 Favored 'Isoleucine or valine' 2 N--CA 1.569 5.478 0 C-N-CA 129.476 3.11 . . . . 0.0 115.983 178.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.283 9.7 p30 -91.13 8.62 34.71 Favored 'General case' 1 CA--C 1.656 5.054 0 C-N-CA 128.613 2.765 . . . . 0.0 113.798 178.612 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 2.0 m-20 -87.64 -31.87 19.55 Favored 'General case' 2 C--N 1.487 6.583 0 N-CA-C 116.134 1.901 . . . . 0.0 116.134 -179.213 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.6 m 46.84 121.02 0.0 OUTLIER 'General case' 2 N--CA 1.599 6.982 0 C-N-CA 129.098 2.959 . . . . 0.0 116.289 176.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.481 HG21 HG13 ' A' ' 64' ' ' VAL 0.278 35.1 mt -85.95 131.34 34.72 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.949 0 C-N-CA 124.371 1.068 . . . . 0.0 111.159 -175.441 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.272 1.6 pt? -98.67 -46.91 5.53 Favored 'General case' 0 C--N 1.425 3.871 0 O-C-N 124.975 1.422 . . . . 0.0 112.018 167.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -131.26 134.95 46.92 Favored 'General case' 1 C--N 1.447 4.81 0 O-C-N 125.143 1.527 . . . . 0.0 112.7 -176.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.481 HG13 HG21 ' A' ' 61' ' ' ILE 0.434 0.4 OUTLIER -121.62 141.59 41.43 Favored 'Isoleucine or valine' 1 N--CA 1.541 4.12 0 C-N-CA 124.735 1.214 . . . . 0.0 110.987 172.347 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.5 m120 73.87 -5.3 2.06 Favored 'General case' 2 N--CA 1.606 7.37 0 C-N-CA 127.679 2.391 . . . . 0.0 114.975 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.556 12.7 pt-20 82.48 12.61 0.54 Allowed 'General case' 3 N--CA 1.578 5.958 1 C-N-CA 131.775 4.03 . . . . 0.0 112.043 -156.914 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 64' ' ' VAL 0.276 0.3 OUTLIER -98.43 150.38 4.9 Favored 'Isoleucine or valine' 1 C--N 1.451 4.991 0 C-N-CA 129.593 3.157 . . . . 0.0 111.214 -177.941 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.375 4.3 p-10 -84.61 96.26 9.13 Favored 'General case' 0 C--N 1.407 3.069 0 C-N-CA 127.923 2.489 . . . . 0.0 114.108 -173.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.498 HG22 HG21 ' A' ' 72' ' ' VAL 0.348 0.6 OUTLIER -99.65 -2.59 9.7 Favored 'Isoleucine or valine' 0 CA--C 1.621 3.691 0 CA-C-N 111.33 -2.668 . . . . 0.0 113.215 179.292 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.0 mtt180 -58.0 -21.12 43.26 Favored 'General case' 2 N--CA 1.578 5.949 0 C-N-CA 127.691 2.396 . . . . 0.0 115.609 175.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -155.85 81.41 1.01 Allowed 'General case' 1 C--N 1.457 5.261 0 C-N-CA 129.131 2.972 . . . . 0.0 109.503 -179.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.498 HG21 HG22 ' A' ' 69' ' ' VAL . 35.5 m -146.46 163.35 9.29 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.432 0 C-N-CA 127.982 2.513 . . . . 0.0 109.94 178.709 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.0 p -76.11 161.94 28.43 Favored 'General case' 1 N--CA 1.563 5.221 0 C-N-CA 125.897 1.679 . . . . 0.0 111.97 164.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 40.3 t-80 -46.22 -56.73 5.31 Favored 'General case' 4 N--CA 1.583 6.217 0 C-N-CA 128.855 2.862 . . . . 0.0 112.287 174.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.7 p -58.58 -34.76 71.45 Favored 'General case' 2 C--N 1.455 5.181 0 C-N-CA 127.23 2.212 . . . . 0.0 114.382 176.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.47 -23.73 61.09 Favored 'General case' 1 C--N 1.444 4.715 0 C-N-CA 128.807 2.843 . . . . 0.0 114.401 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.81 -29.24 17.69 Favored 'General case' 1 C--N 1.467 5.706 0 C-N-CA 125.949 1.7 . . . . 0.0 113.195 172.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.4 t -73.19 -39.97 57.11 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.762 0 C-N-CA 127.043 2.137 . . . . 0.0 111.199 172.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 7.9 mm-40 -67.69 -16.03 63.94 Favored 'General case' 1 N--CA 1.597 6.88 0 C-N-CA 128.464 2.706 . . . . 0.0 115.512 177.576 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.56 -29.37 52.14 Favored 'General case' 0 CA--C 1.625 3.859 0 C-N-CA 126.629 1.972 . . . . 0.0 111.373 165.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.548 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.269 11.7 mt -92.78 -33.95 14.08 Favored 'General case' 1 C--N 1.459 5.368 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 -178.489 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -87.2 -36.47 17.98 Favored 'General case' 1 N--CA 1.54 4.063 0 C-N-CA 127.751 2.421 . . . . 0.0 114.244 177.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.274 37.3 mt-10 -85.16 -22.42 28.8 Favored 'General case' 2 N--CA 1.588 6.473 0 N-CA-C 119.197 3.036 . . . . 0.0 119.197 -178.045 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.92 -22.18 62.08 Favored 'General case' 3 N--CA 1.583 6.216 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 178.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 99.79 -34.99 5.05 Favored Glycine 1 C--N 1.427 5.628 0 N-CA-C 120.488 2.955 . . . . 0.0 120.488 164.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 t -167.17 -30.39 0.02 OUTLIER 'General case' 1 N--CA 1.555 4.777 0 C-N-CA 127.965 2.506 . . . . 0.0 111.218 -173.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.267 28.4 mm -125.64 122.54 62.59 Favored 'Isoleucine or valine' 1 C--N 1.439 4.469 0 C-N-CA 125.375 1.47 . . . . 0.0 109.812 -177.92 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.548 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.391 21.9 m -124.26 118.15 52.86 Favored 'Isoleucine or valine' 0 N--CA 1.537 3.916 0 C-N-CA 127.155 2.182 . . . . 0.0 112.176 176.686 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.419 37.9 ptt180 -110.39 100.06 8.97 Favored 'General case' 1 N--CA 1.561 5.112 0 C-N-CA 125.941 1.696 . . . . 0.0 115.005 -175.22 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -96.59 139.27 32.93 Favored 'General case' 0 N--CA 1.533 3.682 0 C-N-CA 128.012 2.525 . . . . 0.0 115.081 -173.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -119.78 112.8 19.71 Favored 'General case' 1 C--O 1.324 5.021 0 C-N-CA 127.051 2.14 . . . . 0.0 111.14 178.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.263 32.4 m -106.4 158.0 6.66 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.109 0 O-C-N 127.08 2.737 . . . . 0.0 114.91 -176.903 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.29 25.8 ptt? -128.03 115.96 19.28 Favored 'General case' 1 N--CA 1.563 5.216 0 C-N-CA 128.094 2.558 . . . . 0.0 114.09 -176.04 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.343 38.4 ptt180 -137.79 143.44 41.08 Favored 'General case' 1 N--CA 1.554 4.743 0 C-N-CA 126.357 1.863 . . . . 0.0 113.247 179.613 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -77.91 143.28 37.84 Favored 'General case' 1 N--CA 1.561 5.112 0 C-N-CA 127.433 2.293 . . . . 0.0 114.91 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -66.14 123.63 85.74 Favored Pre-proline 2 N--CA 1.569 5.485 0 C-N-CA 128.396 2.678 . . . . 0.0 115.99 -174.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -75.08 152.65 40.65 Favored 'Trans proline' 3 C--N 1.551 11.233 0 C-N-CA 123.768 2.979 . . . . 0.0 116.308 174.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -67.54 -31.72 33.0 Favored 'Trans proline' 3 C--N 1.55 11.177 0 C-N-CA 123.912 3.074 . . . . 0.0 117.768 177.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.449 4.9 0 C-N-CA 126.448 1.899 . . . . 0.0 112.889 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.39 10.6 m . . . . . 0 N--CA 1.533 3.679 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.559 18.2 m 63.61 -37.46 0.04 OUTLIER 'Isoleucine or valine' 2 N--CA 1.602 7.162 0 C-N-CA 128.296 2.638 . . . . 0.0 117.585 -178.792 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -166.44 105.76 0.64 Allowed 'General case' 2 N--CA 1.545 4.315 0 C-N-CA 131.201 3.8 . . . . 0.0 106.464 -176.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -131.55 -75.61 0.52 Allowed 'General case' 2 C--N 1.441 4.565 0 C-N-CA 124.55 1.14 . . . . 0.0 113.3 -174.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.397 99.7 mtt180 75.95 -56.11 0.59 Allowed 'General case' 2 N--CA 1.587 6.398 0 C-N-CA 129.384 3.074 . . . . 0.0 113.352 -167.478 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 1.597 ' CB ' ' CA ' ' B' ' 6' ' ' ILE 0.716 7.5 tp 58.04 -48.05 0.08 OUTLIER 'Isoleucine or valine' 2 N--CA 1.584 6.23 0 C-N-CA 130.62 3.568 . . . . 0.0 119.123 177.648 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.268 69.3 m -49.91 82.96 0.0 OUTLIER 'General case' 2 N--CA 1.589 6.518 0 C-N-CA 127.812 2.445 . . . . 0.0 115.956 -176.29 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.605 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 69.0 m -131.69 -163.07 1.29 Allowed 'General case' 0 CA--C 1.629 3.988 0 C-N-CA 128.905 2.882 . . . . 0.0 111.439 -172.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.25 3.4 t . . . . . 1 C--N 1.435 4.325 0 C-N-CA 127.157 2.183 . . . . 0.0 109.364 -177.11 . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.538 0 CA-C-O 119.409 -0.662 . . . . 0.0 112.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.42 132.68 53.97 Favored 'General case' 0 C--N 1.426 3.913 0 C-N-CA 126.597 1.959 . . . . 0.0 112.692 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.9 ttt -100.36 110.48 22.7 Favored 'General case' 2 C--N 1.44 4.533 0 C-N-CA 126.556 1.942 . . . . 0.0 110.685 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.342 10.8 pt-20 -117.69 173.65 6.62 Favored 'General case' 1 N--CA 1.542 4.143 0 C-N-CA 127.237 2.215 . . . . 0.0 114.341 177.884 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.271 25.0 ptm -106.78 161.88 14.28 Favored 'General case' 1 CA--C 1.633 4.144 0 C-N-CA 127.923 2.489 . . . . 0.0 112.959 175.805 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.339 10.6 pt-20 -124.53 122.14 36.75 Favored 'General case' 1 N--CA 1.549 4.477 0 C-N-CA 126.665 1.986 . . . . 0.0 113.23 -175.391 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -104.66 145.15 30.75 Favored 'General case' 1 N--CA 1.545 4.313 0 C-N-CA 126.2 1.8 . . . . 0.0 113.358 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -123.47 131.99 53.8 Favored 'General case' 2 N--CA 1.549 4.521 0 C-N-CA 125.6 1.56 . . . . 0.0 114.007 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.299 12.0 pt-20 -108.75 109.04 20.09 Favored 'General case' 0 C--N 1.427 3.952 0 C-N-CA 125.738 1.615 . . . . 0.0 111.874 173.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -114.57 142.42 27.39 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.026 0 O-C-N 124.755 1.284 . . . . 0.0 110.84 -176.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.253 0.8 OUTLIER -113.62 125.93 54.71 Favored 'General case' 2 N--CA 1.55 4.557 0 C-N-CA 127.084 2.153 . . . . 0.0 114.061 173.521 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -124.46 149.45 46.8 Favored 'General case' 0 N--CA 1.534 3.738 0 C-N-CA 127.362 2.265 . . . . 0.0 113.433 176.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -98.12 126.47 43.58 Favored 'General case' 2 N--CA 1.557 4.903 0 C-N-CA 126.976 2.111 . . . . 0.0 108.777 176.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -89.33 133.26 34.56 Favored 'General case' 0 N--CA 1.534 3.747 0 C-N-CA 127.477 2.311 . . . . 0.0 113.135 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.91 21.33 76.6 Favored Glycine 2 N--CA 1.549 6.186 0 N-CA-C 119.569 2.588 . . . . 0.0 119.569 170.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -90.08 -37.88 13.95 Favored 'General case' 1 N--CA 1.558 4.952 0 C-N-CA 126.307 1.843 . . . . 0.0 112.461 175.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.7 t -119.46 -21.84 7.25 Favored 'General case' 2 C--N 1.443 4.642 0 C-N-CA 127.027 2.131 . . . . 0.0 111.589 172.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.69 4.46 28.2 Favored Glycine 1 C--N 1.459 7.408 0 C-N-CA 125.598 1.57 . . . . 0.0 113.735 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.44 83.9 mt 61.6 120.98 0.01 OUTLIER 'General case' 2 C--N 1.473 5.944 0 C-N-CA 130.263 3.425 . . . . 0.0 115.387 -177.279 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.66 55.35 1.67 Allowed Glycine 1 C--N 1.419 5.189 0 C-N-CA 126.709 2.1 . . . . 0.0 118.163 -165.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.1 p90 -161.56 168.86 22.8 Favored 'General case' 3 N--CA 1.543 4.218 0 C-N-CA 128.576 2.75 . . . . 0.0 109.329 169.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.3 m -134.93 144.77 47.65 Favored 'General case' 1 C--N 1.448 4.857 0 C-N-CA 125.463 1.505 . . . . 0.0 110.809 169.409 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.482 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.572 2.2 pp -120.99 129.9 75.23 Favored 'Isoleucine or valine' 2 N--CA 1.576 5.855 0 N-CA-C 120.283 3.438 . . . . 0.0 120.283 -174.083 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.11 119.1 38.25 Favored 'General case' 1 C--N 1.445 4.722 0 CA-C-N 113.492 -1.686 . . . . 0.0 111.856 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.42 162.42 30.65 Favored Glycine 0 C--N 1.394 3.792 0 O-C-N 124.922 1.389 . . . . 0.0 114.734 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.65 132.14 1.55 Allowed Glycine 1 C--N 1.413 4.829 0 N-CA-C 119.094 2.398 . . . . 0.0 119.094 -178.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.315 7.9 p -97.58 -33.58 11.29 Favored 'General case' 1 N--CA 1.561 5.076 0 C-N-CA 125.005 1.322 . . . . 0.0 113.247 161.0 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.43 2.2 p30 -113.01 -29.03 7.48 Favored 'General case' 1 C--N 1.445 4.753 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 174.137 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -100.52 113.66 65.57 Favored Pre-proline 2 CA--C 1.649 4.762 0 C-N-CA 126.587 1.955 . . . . 0.0 113.239 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -62.72 156.72 51.5 Favored 'Trans proline' 3 C--N 1.553 11.305 0 C-N-CA 124.303 3.335 . . . . 0.0 117.971 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -111.91 -46.0 3.27 Favored 'General case' 0 C--N 1.422 3.743 0 C-N-CA 128.008 2.523 . . . . 0.0 113.01 174.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.401 2.6 pp -133.48 -54.57 0.68 Allowed 'Isoleucine or valine' 2 N--CA 1.576 5.842 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -165.83 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -164.32 40.16 0.31 Allowed Glycine 0 C--N 1.377 2.822 0 C-N-CA 128.088 2.756 . . . . 0.0 111.991 175.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.41 5.3 m-20 82.6 72.52 0.02 OUTLIER 'General case' 2 N--CA 1.563 5.215 0 C-N-CA 130.885 3.674 . . . . 0.0 112.113 -177.832 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -93.13 122.33 63.63 Favored Pre-proline 1 CA--C 1.671 5.614 0 CA-C-N 112.376 -2.193 . . . . 0.0 114.183 -176.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -75.68 -26.57 9.74 Favored 'Trans proline' 3 C--N 1.553 11.308 0 C-N-CA 124.138 3.225 . . . . 0.0 117.739 174.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.2 m -91.28 150.98 21.09 Favored 'General case' 2 N--CA 1.554 4.731 0 C-N-CA 127.195 2.198 . . . . 0.0 113.812 -177.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.269 0.8 OUTLIER -97.36 120.92 47.31 Favored 'Isoleucine or valine' 3 C--N 1.443 4.661 0 C-N-CA 125.465 1.506 . . . . 0.0 109.696 -178.042 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -125.63 158.85 33.66 Favored 'General case' 3 N--CA 1.547 4.387 0 C-N-CA 127.456 2.302 . . . . 0.0 111.746 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -88.55 142.84 12.34 Favored 'Isoleucine or valine' 1 C--N 1.46 5.4 0 C-N-CA 126.139 1.776 . . . . 0.0 109.449 172.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.304 2.9 p -145.29 -26.5 0.47 Allowed 'General case' 1 N--CA 1.559 5.005 0 C-N-CA 127.554 2.342 . . . . 0.0 113.771 -177.261 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.9 tmtm? -126.33 129.73 49.42 Favored 'General case' 1 C--N 1.468 5.732 0 C-N-CA 123.538 0.735 . . . . 0.0 110.833 178.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.627 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 43.7 mm -124.91 131.21 72.89 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.313 0 C-N-CA 127.142 2.177 . . . . 0.0 108.805 174.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.297 3.7 mp -82.13 131.26 56.96 Favored Pre-proline 2 CA--C 1.678 5.898 0 C-N-CA 125.993 1.717 . . . . 0.0 110.775 171.812 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.94 -22.66 55.43 Favored 'Trans proline' 3 C--N 1.536 10.431 0 C-N-CA 124.228 3.285 . . . . 0.0 117.451 178.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.7 43.45 1.29 Allowed Glycine 1 C--N 1.429 5.696 0 O-C-N 124.795 1.309 . . . . 0.0 115.625 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.65 -177.84 32.43 Favored Glycine 2 C--N 1.437 6.189 0 C-N-CA 125.514 1.531 . . . . 0.0 115.284 174.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.72 -35.74 33.06 Favored 'General case' 1 N--CA 1.54 4.074 0 C-N-CA 127.711 2.404 . . . . 0.0 115.718 -178.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.05 -25.83 36.8 Favored 'General case' 2 C--N 1.445 4.753 0 C-N-CA 126.792 2.037 . . . . 0.0 116.144 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.39 -42.35 15.79 Favored 'General case' 1 C--N 1.446 4.796 0 C-N-CA 127.272 2.229 . . . . 0.0 113.527 177.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -90.91 -57.11 2.92 Favored 'General case' 1 C--N 1.449 4.931 0 C-N-CA 127.286 2.234 . . . . 0.0 114.924 179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.8 -33.73 15.59 Favored 'General case' 1 C--N 1.46 5.388 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 -173.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.7 -47.46 5.35 Favored Glycine 2 C--N 1.443 6.513 0 N-CA-C 117.343 1.697 . . . . 0.0 117.343 -174.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.56 99.0 mtt180 88.44 52.62 0.01 OUTLIER 'General case' 2 N--CA 1.576 5.873 0 C-N-CA 130.534 3.534 . . . . 0.0 116.218 -178.558 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.09 131.45 55.07 Favored 'General case' 0 C--N 1.417 3.514 0 C-N-CA 127.927 2.491 . . . . 0.0 111.528 171.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -111.35 156.12 22.05 Favored 'General case' 0 N--CA 1.529 3.518 0 C-N-CA 127.786 2.434 . . . . 0.0 110.463 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 p -57.04 -28.2 28.68 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.083 0 C-N-CA 128.775 2.83 . . . . 0.0 115.583 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -91.88 9.98 30.66 Favored 'General case' 1 CA--C 1.674 5.717 0 C-N-CA 128.889 2.875 . . . . 0.0 112.321 177.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -87.39 -34.0 18.92 Favored 'General case' 2 C--N 1.487 6.551 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.25 69.5 m 44.83 120.06 0.0 OUTLIER 'General case' 2 N--CA 1.588 6.43 0 C-N-CA 129.41 3.084 . . . . 0.0 116.878 176.387 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.2 mt -84.98 126.46 40.31 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.973 0 C-N-CA 124.666 1.186 . . . . 0.0 110.106 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.26 1.2 pt? -91.38 -46.17 8.17 Favored 'General case' 1 C--N 1.43 4.071 0 C-N-CA 125.443 1.497 . . . . 0.0 111.837 170.691 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -129.08 128.38 43.41 Favored 'General case' 1 C--N 1.449 4.925 0 O-C-N 125.164 1.54 . . . . 0.0 113.257 -177.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.489 HG23 HG11 ' A' ' 69' ' ' VAL 0.253 3.5 t -116.07 130.51 70.67 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.086 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 -179.932 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 72.27 -1.38 2.93 Favored 'General case' 2 N--CA 1.612 7.658 0 C-N-CA 129.306 3.042 . . . . 0.0 114.902 -176.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.396 12.0 mm-40 87.85 7.3 0.2 Allowed 'General case' 3 N--CA 1.579 6.019 0 C-N-CA 130.584 3.554 . . . . 0.0 111.717 -160.236 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.412 27.0 m -94.12 155.6 3.19 Favored 'Isoleucine or valine' 1 C--N 1.469 5.792 0 C-N-CA 127.048 2.139 . . . . 0.0 113.619 178.651 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.268 13.5 t70 -86.02 102.55 13.9 Favored 'General case' 0 C--N 1.42 3.647 0 C-N-CA 127.119 2.168 . . . . 0.0 112.013 -171.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.489 HG11 HG23 ' A' ' 64' ' ' VAL 0.315 1.0 OUTLIER -102.93 -16.75 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.614 3.438 0 CA-C-N 110.006 -3.27 . . . . 0.0 114.093 -177.94 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.338 38.7 ptt180 -52.53 -20.04 2.68 Favored 'General case' 2 N--CA 1.578 5.938 0 N-CA-C 117.427 2.38 . . . . 0.0 117.427 -179.155 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -149.28 76.85 1.34 Allowed 'General case' 1 C--N 1.436 4.365 0 C-N-CA 129.18 2.992 . . . . 0.0 109.492 177.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 27.9 m -143.97 167.06 12.75 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.253 0 C-N-CA 127.354 2.262 . . . . 0.0 110.272 177.772 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 p -79.37 162.76 25.35 Favored 'General case' 1 N--CA 1.562 5.144 0 C-N-CA 126.429 1.892 . . . . 0.0 111.522 166.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.286 56.2 p-80 -51.12 -54.18 27.56 Favored 'General case' 2 N--CA 1.6 7.038 0 C-N-CA 125.393 1.477 . . . . 0.0 114.327 176.839 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.8 t -61.37 -31.83 71.73 Favored 'General case' 3 N--CA 1.555 4.816 0 C-N-CA 127.232 2.213 . . . . 0.0 113.06 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.88 -23.17 60.69 Favored 'General case' 1 C--N 1.452 5.063 0 C-N-CA 128.278 2.631 . . . . 0.0 113.936 175.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.76 -33.03 15.89 Favored 'General case' 1 C--N 1.465 5.595 0 C-N-CA 126.237 1.815 . . . . 0.0 112.775 173.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.4 t -69.87 -40.46 78.91 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.745 0 C-N-CA 127.777 2.431 . . . . 0.0 111.124 174.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.9 mt-10 -63.33 -20.83 65.84 Favored 'General case' 2 N--CA 1.599 6.994 0 C-N-CA 127.971 2.509 . . . . 0.0 114.986 176.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.29 -28.25 53.33 Favored 'General case' 1 CA--C 1.632 4.097 0 C-N-CA 127.213 2.205 . . . . 0.0 112.396 168.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.49 -34.01 14.26 Favored 'General case' 2 C--N 1.457 5.249 0 C-N-CA 126.568 1.947 . . . . 0.0 114.848 178.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -85.93 -40.23 16.11 Favored 'General case' 1 N--CA 1.541 4.098 0 C-N-CA 127.276 2.23 . . . . 0.0 114.047 179.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 40.8 mt-10 -91.01 -5.09 55.82 Favored 'General case' 2 N--CA 1.583 6.189 0 N-CA-C 118.757 2.873 . . . . 0.0 118.757 -177.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.563 ' HB3' HG22 ' A' ' 88' ' ' VAL . . . -58.82 -21.84 57.39 Favored 'General case' 3 N--CA 1.588 6.47 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 178.337 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.26 -35.18 4.58 Favored Glycine 1 C--N 1.428 5.668 0 C-N-CA 126.442 1.972 . . . . 0.0 117.802 167.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.6 p 176.17 -37.71 0.01 OUTLIER 'General case' 2 N--CA 1.567 5.397 0 C-N-CA 130.17 3.388 . . . . 0.0 112.391 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.266 31.5 mm -119.01 113.13 40.53 Favored 'Isoleucine or valine' 0 C--N 1.427 3.945 0 C-N-CA 127.325 2.25 . . . . 0.0 107.901 -175.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 84' ' ' ALA . 94.8 t -113.66 138.13 44.43 Favored 'Isoleucine or valine' 1 CA--C 1.641 4.449 0 C-N-CA 128.512 2.725 . . . . 0.0 108.769 -174.166 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.362 0.0 OUTLIER -120.49 128.13 52.85 Favored 'General case' 1 N--CA 1.545 4.297 0 C-N-CA 126.899 2.08 . . . . 0.0 113.448 176.728 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -119.79 139.97 51.49 Favored 'General case' 0 N--CA 1.536 3.833 0 C-N-CA 127.688 2.395 . . . . 0.0 112.942 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -120.25 110.45 16.59 Favored 'General case' 0 C--O 1.299 3.692 0 C-N-CA 126.326 1.85 . . . . 0.0 111.178 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.258 27.2 m -106.01 160.83 5.64 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.714 0 O-C-N 126.632 2.457 . . . . 0.0 115.272 -175.362 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.284 18.5 ptp -119.92 125.84 49.43 Favored 'General case' 1 N--CA 1.57 5.54 0 C-N-CA 127.481 2.313 . . . . 0.0 114.889 -176.741 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -128.71 141.52 51.3 Favored 'General case' 1 N--CA 1.545 4.291 0 C-N-CA 127.746 2.418 . . . . 0.0 110.907 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -98.75 135.02 40.83 Favored 'General case' 0 CA--C 1.625 3.853 0 C-N-CA 127.302 2.241 . . . . 0.0 110.331 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -79.45 129.74 70.82 Favored Pre-proline 2 N--CA 1.564 5.244 0 C-N-CA 126.554 1.942 . . . . 0.0 114.692 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -72.53 149.09 49.07 Favored 'Trans proline' 3 C--N 1.553 11.292 0 C-N-CA 123.678 2.918 . . . . 0.0 116.371 176.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -66.83 -30.86 40.04 Favored 'Trans proline' 3 C--N 1.551 11.191 0 C-N-CA 123.953 3.102 . . . . 0.0 117.713 178.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.447 4.847 0 C-N-CA 126.541 1.936 . . . . 0.0 112.68 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.445 3.6 m . . . . . 1 N--CA 1.539 4.01 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 . . . . . . . . . 2 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.572 3.3 p 77.96 -42.31 0.09 OUTLIER 'Isoleucine or valine' 3 N--CA 1.567 5.393 0 C-N-CA 129.874 3.27 . . . . 0.0 115.095 -177.06 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . 0.261 14.4 t -128.4 -77.15 0.56 Allowed 'General case' 1 C--N 1.458 5.292 0 O-C-N 124.451 1.094 . . . . 0.0 111.903 -178.576 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.371 4.7 tt0 39.88 118.1 0.0 OUTLIER 'General case' 2 C--N 1.461 5.432 1 C-N-CA 132.043 4.137 . . . . 0.0 118.919 -179.87 . . . . . . . . 4 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -122.31 84.72 2.3 Favored 'General case' 0 C--O 1.292 3.302 0 CA-C-N 112.541 -2.118 . . . . 0.0 108.394 166.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.679 2.3 mm -93.16 63.74 0.36 Allowed 'Isoleucine or valine' 1 C--N 1.437 4.376 0 CA-C-O 123.74 1.733 . . . . 0.0 114.965 178.282 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 70.3 p -126.22 8.59 7.25 Favored 'General case' 2 N--CA 1.559 4.98 0 CA-C-N 110.027 -3.261 . . . . 0.0 113.446 178.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.482 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 62.4 m -79.12 -176.3 5.04 Favored 'General case' 3 N--CA 1.548 4.432 0 C-N-CA 128.441 2.696 . . . . 0.0 114.632 -175.007 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 2 C--N 1.446 4.776 0 C-N-CA 125.831 1.652 . . . . 0.0 107.803 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 CA-C-O 119.395 -0.67 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.18 125.96 52.76 Favored 'General case' 0 C--N 1.428 4.0 0 C-N-CA 126.417 1.887 . . . . 0.0 112.882 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.335 26.5 ptt? -108.74 15.69 23.42 Favored 'General case' 2 N--CA 1.565 5.32 0 C-N-CA 126.607 1.963 . . . . 0.0 115.095 179.393 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -88.96 175.2 7.52 Favored 'General case' 1 N--CA 1.55 4.544 0 C-N-CA 127.978 2.511 . . . . 0.0 113.536 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.277 21.5 ptp -106.04 159.82 15.77 Favored 'General case' 1 CA--C 1.63 4.054 0 C-N-CA 127.874 2.47 . . . . 0.0 114.622 -178.905 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.304 10.4 pt-20 -120.8 122.63 40.74 Favored 'General case' 1 N--CA 1.548 4.439 0 C-N-CA 128.498 2.719 . . . . 0.0 111.944 179.853 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -103.51 145.31 30.21 Favored 'General case' 1 N--CA 1.554 4.763 0 C-N-CA 125.966 1.706 . . . . 0.0 113.913 -173.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -130.9 133.05 45.52 Favored 'General case' 2 C--N 1.444 4.699 0 C-N-CA 124.735 1.214 . . . . 0.0 111.615 -178.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.291 11.5 pt-20 -106.46 112.86 26.05 Favored 'General case' 0 C--N 1.427 3.955 0 C-N-CA 126.378 1.871 . . . . 0.0 112.682 174.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -114.53 146.52 18.91 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.121 0 C-N-CA 125.346 1.458 . . . . 0.0 109.675 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.481 HG23 ' HB3' ' A' ' 89' ' ' ARG . 0.6 OUTLIER -119.87 127.73 53.0 Favored 'General case' 2 N--CA 1.547 4.385 0 C-N-CA 126.291 1.837 . . . . 0.0 109.932 177.575 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.69 154.72 41.98 Favored 'General case' 1 N--CA 1.541 4.101 0 C-N-CA 127.997 2.519 . . . . 0.0 113.868 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -107.92 127.52 53.82 Favored 'General case' 2 N--CA 1.555 4.787 0 C-N-CA 126.828 2.051 . . . . 0.0 109.631 176.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.23 134.8 34.13 Favored 'General case' 0 N--CA 1.533 3.695 0 C-N-CA 128.468 2.707 . . . . 0.0 113.76 -174.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 80.28 -10.0 45.07 Favored Glycine 2 N--CA 1.549 6.211 0 N-CA-C 120.565 2.986 . . . . 0.0 120.565 167.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.334 30.5 p30 -74.57 -38.01 62.8 Favored 'General case' 2 N--CA 1.56 5.066 0 N-CA-C 115.926 1.825 . . . . 0.0 115.926 -179.147 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 t -117.75 -22.33 8.05 Favored 'General case' 2 C--N 1.434 4.281 0 C-N-CA 126.005 1.722 . . . . 0.0 112.611 175.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.49 14.26 13.2 Favored Glycine 1 C--N 1.455 7.194 0 C-N-CA 124.958 1.265 . . . . 0.0 113.297 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.766 33.1 mt 75.0 -43.83 0.53 Allowed 'General case' 1 C--N 1.451 5.011 0 C-N-CA 130.396 3.478 . . . . 0.0 119.856 -179.277 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.75 26.56 19.5 Favored Glycine 2 N--CA 1.537 5.38 0 N-CA-C 119.502 2.561 . . . . 0.0 119.502 168.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -156.45 172.66 18.13 Favored 'General case' 3 N--CA 1.548 4.472 0 C-N-CA 127.617 2.367 . . . . 0.0 109.92 176.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.508 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.2 m -137.5 142.99 41.48 Favored 'General case' 1 C--N 1.446 4.795 0 C-N-CA 125.491 1.516 . . . . 0.0 110.316 168.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.514 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.578 2.0 pp -119.28 131.79 70.95 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.396 0 N-CA-C 120.693 3.59 . . . . 0.0 120.693 -174.211 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.02 117.85 35.27 Favored 'General case' 1 C--N 1.446 4.787 0 CA-C-N 113.251 -1.795 . . . . 0.0 110.296 177.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.28 154.21 25.28 Favored Glycine 0 N--CA 1.515 3.949 0 C-N-CA 125.405 1.478 . . . . 0.0 113.61 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.3 142.61 4.37 Favored Glycine 1 C--N 1.411 4.703 0 N-CA-C 119.206 2.442 . . . . 0.0 119.206 -172.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 p -104.75 -41.22 5.72 Favored 'General case' 1 N--CA 1.553 4.71 0 C-N-CA 126.591 1.956 . . . . 0.0 112.476 163.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.99 -30.98 9.94 Favored 'General case' 1 C--N 1.434 4.254 0 C-N-CA 126.582 1.953 . . . . 0.0 113.308 177.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -100.09 113.68 65.36 Favored Pre-proline 2 CA--C 1.655 4.997 0 C-N-CA 127.077 2.151 . . . . 0.0 112.546 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -75.82 164.84 31.18 Favored 'Trans proline' 3 C--N 1.544 10.821 0 C-N-CA 123.823 3.015 . . . . 0.0 117.688 178.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -119.16 -51.07 2.34 Favored 'General case' 1 C--N 1.432 4.193 0 C-N-CA 126.843 2.057 . . . . 0.0 111.623 170.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.327 4.9 tp -113.99 7.98 7.76 Favored 'Isoleucine or valine' 1 CA--C 1.671 5.621 0 C-N-CA 126.487 1.915 . . . . 0.0 113.736 -171.114 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.63 -57.75 0.67 Allowed Glycine 1 C--N 1.401 4.16 0 C-N-CA 126.891 2.186 . . . . 0.0 112.289 -175.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -158.38 85.34 0.85 Allowed 'General case' 0 N--CA 1.539 3.982 0 C-N-CA 131.272 3.829 . . . . 0.0 108.275 176.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -97.04 114.59 64.93 Favored Pre-proline 2 CA--C 1.682 6.02 0 C-N-CA 126.088 1.755 . . . . 0.0 112.556 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -80.35 -32.76 1.19 Allowed 'Trans proline' 3 C--N 1.551 11.189 0 C-N-CA 123.953 3.102 . . . . 0.0 118.514 175.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.7 m -96.11 154.2 17.37 Favored 'General case' 2 N--CA 1.558 4.968 0 C-N-CA 127.024 2.13 . . . . 0.0 113.868 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.306 0.6 OUTLIER -93.04 113.87 28.75 Favored 'Isoleucine or valine' 3 C--N 1.455 5.195 0 C-N-CA 125.23 1.412 . . . . 0.0 109.694 -178.121 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -122.76 144.87 48.88 Favored 'General case' 0 C--O 1.303 3.909 0 C-N-CA 129.636 3.175 . . . . 0.0 111.848 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -87.55 141.15 14.72 Favored 'Isoleucine or valine' 2 C--N 1.445 4.718 0 C-N-CA 126.049 1.74 . . . . 0.0 110.196 176.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.311 5.7 p -144.79 -28.16 0.48 Allowed 'General case' 1 N--CA 1.553 4.693 0 C-N-CA 127.316 2.246 . . . . 0.0 114.14 -176.512 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 10.5 tmtt? -125.19 126.26 44.95 Favored 'General case' 1 C--N 1.471 5.864 0 O-C-N 123.652 0.595 . . . . 0.0 111.006 179.009 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.644 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.276 44.1 mm -123.5 128.68 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.259 0 C-N-CA 127.002 2.121 . . . . 0.0 108.438 175.083 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.303 3.2 mp -83.42 130.73 55.23 Favored Pre-proline 2 CA--C 1.681 6.003 0 C-N-CA 126.156 1.783 . . . . 0.0 110.924 174.597 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.81 -23.22 69.01 Favored 'Trans proline' 3 C--N 1.54 10.644 0 C-N-CA 124.439 3.426 . . . . 0.0 117.562 179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.47 41.89 1.47 Allowed Glycine 1 C--N 1.43 5.76 0 CA-C-O 118.234 -1.315 . . . . 0.0 115.651 178.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -97.67 -177.49 33.9 Favored Glycine 2 C--N 1.439 6.258 0 C-N-CA 125.491 1.52 . . . . 0.0 115.587 174.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.67 -36.26 32.63 Favored 'General case' 1 N--CA 1.543 4.186 0 C-N-CA 127.726 2.411 . . . . 0.0 115.814 -177.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.28 -25.42 36.55 Favored 'General case' 2 C--N 1.442 4.602 0 C-N-CA 126.861 2.064 . . . . 0.0 116.146 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 -42.23 15.77 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 127.186 2.195 . . . . 0.0 113.537 177.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -90.94 -56.71 3.07 Favored 'General case' 2 C--N 1.448 4.883 0 C-N-CA 127.233 2.213 . . . . 0.0 115.005 178.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -90.79 -34.22 15.4 Favored 'General case' 1 C--N 1.459 5.338 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 -172.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.77 -52.41 3.15 Favored Glycine 2 C--N 1.443 6.475 0 N-CA-C 117.369 1.708 . . . . 0.0 117.369 -173.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.571 99.3 mtt180 92.73 55.2 0.0 OUTLIER 'General case' 2 N--CA 1.576 5.832 0 C-N-CA 130.796 3.638 . . . . 0.0 116.338 -178.476 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.01 131.34 55.13 Favored 'General case' 0 C--N 1.417 3.518 0 C-N-CA 127.919 2.488 . . . . 0.0 111.057 171.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -111.21 153.64 25.54 Favored 'General case' 0 N--CA 1.525 3.278 0 C-N-CA 127.482 2.313 . . . . 0.0 110.498 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -55.98 -28.31 24.45 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.005 0 C-N-CA 129.147 2.979 . . . . 0.0 115.929 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -91.94 9.94 30.93 Favored 'General case' 1 CA--C 1.671 5.601 0 C-N-CA 128.924 2.889 . . . . 0.0 112.194 178.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.272 1.6 m-20 -88.01 -32.28 18.89 Favored 'General case' 2 C--N 1.489 6.661 0 N-CA-C 116.175 1.917 . . . . 0.0 116.175 -179.762 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 m 43.95 120.18 0.0 OUTLIER 'General case' 2 N--CA 1.599 6.98 0 C-N-CA 129.089 2.955 . . . . 0.0 116.733 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.575 HG21 HG23 ' A' ' 64' ' ' VAL . 8.3 mt -85.41 130.23 36.6 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.027 0 C-N-CA 124.709 1.203 . . . . 0.0 110.723 -174.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.258 1.5 pt? -96.11 -45.92 6.68 Favored 'General case' 1 C--N 1.431 4.144 0 O-C-N 125.134 1.521 . . . . 0.0 112.463 169.776 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -132.31 130.57 40.99 Favored 'General case' 1 C--N 1.45 4.959 0 O-C-N 125.081 1.488 . . . . 0.0 112.698 -175.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.575 HG23 HG21 ' A' ' 61' ' ' ILE 0.398 0.4 OUTLIER -120.52 140.97 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.639 0 O-C-N 123.795 0.685 . . . . 0.0 112.822 179.58 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.281 4.9 m-20 71.64 -75.56 0.07 Allowed 'General case' 1 N--CA 1.586 6.369 0 C-N-CA 127.949 2.5 . . . . 0.0 111.627 -175.935 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -159.0 7.89 0.11 Allowed 'General case' 2 CA--C 1.637 4.314 1 C-N-CA 133.259 4.624 . . . . 0.0 108.232 171.129 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.344 27.6 m -105.11 157.34 5.99 Favored 'Isoleucine or valine' 1 C--N 1.463 5.518 0 C-N-CA 126.668 1.987 . . . . 0.0 115.78 -165.104 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.371 4.3 p-10 -88.15 94.93 9.97 Favored 'General case' 0 C--N 1.417 3.515 0 C-N-CA 127.817 2.447 . . . . 0.0 113.121 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.452 21.7 m -87.62 -8.42 10.98 Favored 'Isoleucine or valine' 1 N--CA 1.562 5.139 0 CA-C-N 113.156 -1.838 . . . . 0.0 114.637 174.457 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -48.95 -26.86 2.73 Favored 'General case' 2 N--CA 1.594 6.757 0 C-N-CA 128.229 2.612 . . . . 0.0 116.177 178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -148.14 78.96 1.45 Allowed 'General case' 1 C--N 1.448 4.887 0 C-N-CA 130.064 3.345 . . . . 0.0 109.523 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.589 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.275 19.2 m -141.2 165.32 19.33 Favored 'Isoleucine or valine' 1 N--CA 1.566 5.35 0 C-N-CA 126.543 1.937 . . . . 0.0 109.147 174.4 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 p -79.7 165.35 22.93 Favored 'General case' 1 N--CA 1.557 4.911 0 C-N-CA 127.808 2.443 . . . . 0.0 111.198 168.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -49.59 -54.84 15.99 Favored 'General case' 3 N--CA 1.579 5.994 0 C-N-CA 128.304 2.642 . . . . 0.0 111.537 176.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.4 t -64.14 -27.5 69.12 Favored 'General case' 1 C--N 1.451 5.007 0 C-N-CA 126.872 2.069 . . . . 0.0 113.399 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -79.66 -19.68 48.49 Favored 'General case' 1 C--N 1.476 6.106 0 C-N-CA 126.294 1.838 . . . . 0.0 112.695 178.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.09 -34.3 16.8 Favored 'General case' 1 C--N 1.465 5.625 0 C-N-CA 126.774 2.03 . . . . 0.0 112.914 172.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.6 t -74.88 -42.23 46.54 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.834 0 C-N-CA 126.903 2.081 . . . . 0.0 111.187 175.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.8 mt-10 -63.88 -22.89 67.13 Favored 'General case' 2 N--CA 1.607 7.419 0 C-N-CA 127.89 2.476 . . . . 0.0 115.079 178.259 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.47 -28.05 56.36 Favored 'General case' 0 CA--C 1.627 3.918 0 C-N-CA 126.825 2.05 . . . . 0.0 112.143 168.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.2 mt -92.99 -29.48 15.82 Favored 'General case' 1 C--N 1.463 5.506 0 C-N-CA 126.714 2.006 . . . . 0.0 115.543 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -88.0 -41.98 12.75 Favored 'General case' 1 N--CA 1.541 4.095 0 C-N-CA 127.227 2.211 . . . . 0.0 113.416 175.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.251 41.3 mt-10 -91.53 3.19 55.6 Favored 'General case' 2 N--CA 1.586 6.36 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -178.332 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.493 ' HB3' HG22 ' A' ' 88' ' ' VAL . . . -62.6 -25.65 68.2 Favored 'General case' 2 N--CA 1.586 6.357 0 C-N-CA 125.094 1.358 . . . . 0.0 114.257 175.279 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.94 -34.47 5.08 Favored Glycine 1 C--N 1.424 5.419 0 C-N-CA 126.972 2.225 . . . . 0.0 118.155 166.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.4 m 178.04 -31.68 0.01 OUTLIER 'General case' 1 N--CA 1.576 5.869 0 C-N-CA 130.139 3.376 . . . . 0.0 111.52 -173.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.267 31.0 mm -124.49 120.08 58.09 Favored 'Isoleucine or valine' 1 C--N 1.442 4.602 0 C-N-CA 126.792 2.037 . . . . 0.0 108.626 -177.012 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.493 HG22 ' HB3' ' A' ' 84' ' ' ALA . 33.2 t -121.44 121.63 65.13 Favored 'Isoleucine or valine' 0 CA--C 1.625 3.829 0 C-N-CA 127.585 2.354 . . . . 0.0 106.967 -177.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.481 ' HB3' HG23 ' A' ' 11' ' ' THR 0.406 35.7 ptt180 -118.95 107.45 13.57 Favored 'General case' 1 N--CA 1.563 5.21 0 C-N-CA 126.424 1.89 . . . . 0.0 114.655 -176.579 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 pp -100.29 141.52 33.01 Favored 'General case' 0 N--CA 1.537 3.902 0 C-N-CA 127.97 2.508 . . . . 0.0 114.987 -174.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -119.07 111.96 18.95 Favored 'General case' 1 C--O 1.308 4.177 0 C-N-CA 126.715 2.006 . . . . 0.0 110.959 177.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.254 33.8 m -105.97 159.43 6.03 Favored 'Isoleucine or valine' 2 N--CA 1.569 5.475 0 O-C-N 126.656 2.472 . . . . 0.0 115.089 -175.884 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 3.8 ppp? -125.47 117.57 23.93 Favored 'General case' 1 N--CA 1.557 4.899 0 C-N-CA 127.769 2.428 . . . . 0.0 114.261 -176.291 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.349 37.9 ptt180 -127.55 128.58 45.86 Favored 'General case' 1 N--CA 1.546 4.363 0 C-N-CA 126.362 1.865 . . . . 0.0 113.008 179.124 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -79.85 139.81 37.02 Favored 'General case' 1 N--CA 1.559 4.977 0 C-N-CA 126.891 2.076 . . . . 0.0 115.25 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -75.4 123.77 88.77 Favored Pre-proline 2 N--CA 1.56 5.036 0 C-N-CA 127.882 2.473 . . . . 0.0 114.719 -175.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -74.09 147.21 37.88 Favored 'Trans proline' 3 C--N 1.551 11.21 0 C-N-CA 123.673 2.915 . . . . 0.0 116.558 176.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -68.95 -33.04 20.74 Favored 'Trans proline' 3 C--N 1.548 11.064 0 C-N-CA 123.803 3.002 . . . . 0.0 117.512 177.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.448 4.865 0 C-N-CA 126.542 1.937 . . . . 0.0 112.699 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.404 10.0 p . . . . . 0 CA--C 1.626 3.887 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.269 13.9 p -108.4 2.82 9.63 Favored 'Isoleucine or valine' 1 CA--C 1.672 5.646 0 C-N-CA 128.782 2.833 . . . . 0.0 110.62 175.332 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.9 m -133.48 -1.52 3.14 Favored 'General case' 2 C--N 1.448 4.851 0 C-N-CA 127.465 2.306 . . . . 0.0 113.874 -173.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -91.2 150.51 21.33 Favored 'General case' 2 C--N 1.437 4.374 0 C-N-CA 128.178 2.591 . . . . 0.0 113.525 -172.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.31 0.1 OUTLIER -118.63 -44.98 2.62 Favored 'General case' 0 C--N 1.413 3.347 0 C-N-CA 127.833 2.453 . . . . 0.0 111.946 168.576 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.822 2.6 mm 52.75 58.46 0.31 Allowed 'Isoleucine or valine' 2 C--N 1.462 5.471 0 C-N-CA 129.062 2.945 . . . . 0.0 118.431 -179.108 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 12.6 t -117.63 15.1 14.56 Favored 'General case' 2 CA--C 1.652 4.885 0 CA-C-N 112.104 -2.316 . . . . 0.0 113.223 -178.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.514 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 60.2 m -86.57 -174.56 5.06 Favored 'General case' 3 N--CA 1.548 4.446 0 C-N-CA 126.819 2.048 . . . . 0.0 114.964 -174.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.9 t . . . . . 2 C--N 1.438 4.446 0 C-N-CA 127.189 2.195 . . . . 0.0 109.704 -173.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.609 0 CA-C-O 119.378 -0.679 . . . . 0.0 112.845 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.19 128.04 53.21 Favored 'General case' 0 C--N 1.428 3.987 0 C-N-CA 126.397 1.879 . . . . 0.0 112.726 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.257 13.3 mmt -116.07 139.72 50.01 Favored 'General case' 0 C--N 1.427 3.937 0 C-N-CA 125.881 1.673 . . . . 0.0 115.314 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -120.55 175.05 6.18 Favored 'General case' 1 N--CA 1.554 4.768 0 C-N-CA 128.511 2.725 . . . . 0.0 110.707 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.323 26.7 ptt? -71.04 159.65 34.34 Favored 'General case' 3 N--CA 1.559 4.989 0 C-N-CA 127.059 2.144 . . . . 0.0 114.421 -179.35 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -117.55 123.46 46.3 Favored 'General case' 1 N--CA 1.542 4.168 0 C-N-CA 125.645 1.578 . . . . 0.0 113.318 -167.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -104.38 141.81 35.69 Favored 'General case' 1 N--CA 1.539 4.008 0 C-N-CA 126.845 2.058 . . . . 0.0 112.57 -177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -127.37 133.6 50.02 Favored 'General case' 1 N--CA 1.544 4.241 0 C-N-CA 124.856 1.263 . . . . 0.0 111.092 -176.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.291 11.7 pt-20 -106.74 112.61 25.67 Favored 'General case' 0 C--N 1.421 3.697 0 C-N-CA 126.492 1.917 . . . . 0.0 112.323 176.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -110.11 141.46 25.36 Favored 'Isoleucine or valine' 2 N--CA 1.556 4.844 0 C-N-CA 124.93 1.292 . . . . 0.0 109.969 -177.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.258 0.6 OUTLIER -114.4 122.58 47.08 Favored 'General case' 0 N--CA 1.536 3.837 0 C-N-CA 126.471 1.908 . . . . 0.0 112.926 171.032 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.4 mt -119.39 141.04 49.44 Favored 'General case' 0 N--CA 1.523 3.178 0 C-N-CA 126.755 2.022 . . . . 0.0 112.057 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -97.47 122.45 40.53 Favored 'General case' 1 N--CA 1.547 4.386 0 C-N-CA 126.461 1.904 . . . . 0.0 107.815 173.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 ttp180 -49.81 108.75 0.23 Allowed 'General case' 3 N--CA 1.567 5.41 0 C-N-CA 128.886 2.875 . . . . 0.0 113.976 -173.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -80.77 159.05 41.69 Favored Glycine 2 C--N 1.418 5.115 0 CA-C-N 113.08 -1.873 . . . . 0.0 117.48 -176.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -80.83 -22.57 39.84 Favored 'General case' 1 N--CA 1.564 5.267 0 C-N-CA 127.431 2.292 . . . . 0.0 114.392 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.3 t -94.05 -21.33 19.22 Favored 'General case' 2 C--N 1.442 4.589 0 C-N-CA 126.876 2.07 . . . . 0.0 113.313 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.8 36.56 1.68 Allowed Glycine 1 C--N 1.458 7.359 0 C-N-CA 124.47 1.033 . . . . 0.0 113.539 177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.513 14.1 mt 69.01 -21.28 0.15 Allowed 'General case' 2 N--CA 1.56 5.074 0 C-N-CA 130.52 3.528 . . . . 0.0 119.701 176.668 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.83 27.05 11.69 Favored Glycine 2 C--N 1.415 4.954 0 N-CA-C 117.592 1.797 . . . . 0.0 117.592 174.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -155.81 165.19 37.26 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 127.568 2.347 . . . . 0.0 110.401 176.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.507 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 72.1 m -132.37 142.44 49.31 Favored 'General case' 1 C--N 1.451 5.018 0 C-N-CA 125.497 1.519 . . . . 0.0 110.812 171.336 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.419 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.549 2.2 pp -119.67 124.57 73.12 Favored 'Isoleucine or valine' 2 N--CA 1.581 6.116 0 N-CA-C 119.963 3.32 . . . . 0.0 119.963 -174.753 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.42 117.93 35.61 Favored 'General case' 1 C--N 1.433 4.232 0 CA-C-N 113.373 -1.74 . . . . 0.0 111.391 -177.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.94 159.56 32.69 Favored Glycine 0 N--CA 1.508 3.452 0 C-N-CA 125.633 1.587 . . . . 0.0 113.673 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.81 145.92 5.7 Favored Glycine 1 C--N 1.401 4.163 0 N-CA-C 118.969 2.348 . . . . 0.0 118.969 -172.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.306 7.1 p -100.49 -36.48 9.18 Favored 'General case' 1 N--CA 1.554 4.733 0 C-N-CA 125.765 1.626 . . . . 0.0 113.237 163.583 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.431 2.0 p30 -110.47 -29.03 8.26 Favored 'General case' 1 C--N 1.444 4.713 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 173.814 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -100.84 101.37 15.48 Favored Pre-proline 2 CA--C 1.654 4.977 0 C-N-CA 126.566 1.947 . . . . 0.0 112.449 179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -75.18 159.83 40.25 Favored 'Trans proline' 3 C--N 1.549 11.096 0 C-N-CA 123.753 2.969 . . . . 0.0 118.182 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -100.83 -42.75 6.34 Favored 'General case' 1 CA--C 1.63 4.048 0 C-N-CA 127.943 2.497 . . . . 0.0 112.254 174.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.355 0.0 OUTLIER -119.37 -44.77 2.78 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.247 0 C-N-CA 124.31 1.044 . . . . 0.0 113.636 -176.837 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -160.88 -56.1 0.02 OUTLIER Glycine 0 C--N 1.394 3.786 0 C-N-CA 127.29 2.376 . . . . 0.0 112.747 -176.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -160.98 82.28 0.64 Allowed 'General case' 0 N--CA 1.537 3.899 0 C-N-CA 129.522 3.129 . . . . 0.0 105.737 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -98.35 99.76 7.88 Favored Pre-proline 1 CA--C 1.672 5.645 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.442 -178.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -74.91 -27.86 9.84 Favored 'Trans proline' 3 C--N 1.554 11.354 0 C-N-CA 124.005 3.136 . . . . 0.0 117.45 175.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.3 m -97.16 144.41 27.02 Favored 'General case' 2 C--N 1.441 4.545 0 C-N-CA 126.972 2.109 . . . . 0.0 112.255 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.292 0.9 OUTLIER -90.93 124.3 43.44 Favored 'Isoleucine or valine' 3 N--CA 1.549 4.496 0 C-N-CA 125.392 1.477 . . . . 0.0 110.584 -174.007 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -121.41 153.27 38.06 Favored 'General case' 1 N--CA 1.544 4.268 0 C-N-CA 127.964 2.506 . . . . 0.0 111.987 -176.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -87.97 144.25 9.59 Favored 'Isoleucine or valine' 2 C--N 1.449 4.918 0 C-N-CA 125.947 1.699 . . . . 0.0 109.104 169.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.45 11.1 t -147.88 -25.77 0.36 Allowed 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 126.632 1.973 . . . . 0.0 113.721 -179.594 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 9.7 tmtt? -125.04 124.09 41.21 Favored 'General case' 1 C--N 1.462 5.493 0 O-C-N 124.015 0.822 . . . . 0.0 111.238 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.605 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 43.6 mm -121.94 129.51 75.36 Favored 'Isoleucine or valine' 0 C--N 1.41 3.199 0 C-N-CA 127.083 2.153 . . . . 0.0 108.063 173.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.298 3.2 mp -84.31 129.17 59.04 Favored Pre-proline 1 CA--C 1.68 5.976 0 C-N-CA 126.29 1.836 . . . . 0.0 110.408 174.446 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.92 -21.84 73.43 Favored 'Trans proline' 3 C--N 1.54 10.638 0 C-N-CA 124.464 3.443 . . . . 0.0 117.756 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.58 40.5 1.65 Allowed Glycine 1 C--N 1.428 5.69 0 CA-C-O 118.172 -1.349 . . . . 0.0 115.81 177.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -96.15 -177.84 36.07 Favored Glycine 2 C--N 1.442 6.446 0 C-N-CA 125.335 1.445 . . . . 0.0 115.713 173.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.79 -35.16 33.46 Favored 'General case' 1 N--CA 1.545 4.303 0 C-N-CA 127.571 2.348 . . . . 0.0 116.332 -176.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.65 -25.41 35.63 Favored 'General case' 2 N--CA 1.556 4.863 0 C-N-CA 126.998 2.119 . . . . 0.0 115.989 177.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.47 -45.04 11.5 Favored 'General case' 1 C--N 1.449 4.901 0 C-N-CA 127.675 2.39 . . . . 0.0 113.868 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.55 -51.02 5.61 Favored 'General case' 1 C--N 1.448 4.879 0 C-N-CA 127.383 2.273 . . . . 0.0 114.64 178.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.77 -31.94 16.32 Favored 'General case' 1 C--N 1.456 5.23 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -175.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.3 -74.18 1.28 Allowed Glycine 2 C--N 1.463 7.613 0 CA-C-O 117.45 -1.75 . . . . 0.0 117.167 -173.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 161.64 -22.02 0.0 OUTLIER 'General case' 2 N--CA 1.628 8.433 0 C-N-CA 130.917 3.687 . . . . 0.0 113.621 179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 tp -67.67 127.45 32.8 Favored 'General case' 1 C--N 1.452 5.053 0 N-CA-C 117.738 2.495 . . . . 0.0 117.738 -163.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.26 158.64 19.47 Favored 'General case' 0 N--CA 1.533 3.689 0 C-N-CA 129.097 2.959 . . . . 0.0 111.01 172.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.568 HG13 HG12 ' A' ' 43' ' ' ILE 0.259 2.5 m -53.09 -28.49 14.47 Favored 'Isoleucine or valine' 1 N--CA 1.633 8.711 0 C-N-CA 128.003 2.521 . . . . 0.0 116.125 174.906 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -90.05 7.59 36.92 Favored 'General case' 1 CA--C 1.664 5.33 0 C-N-CA 128.959 2.904 . . . . 0.0 112.051 -177.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.48 -39.6 16.12 Favored 'General case' 2 C--N 1.487 6.586 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 177.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.26 22.9 t 45.41 119.3 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.761 0 C-N-CA 129.432 3.093 . . . . 0.0 115.855 178.865 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.52 HG21 HG23 ' A' ' 64' ' ' VAL . 5.7 mt -85.72 127.5 40.06 Favored 'Isoleucine or valine' 1 N--CA 1.565 5.298 0 C-N-CA 124.861 1.264 . . . . 0.0 110.306 -176.528 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.4 pt? -94.23 -43.13 8.59 Favored 'General case' 0 C--N 1.421 3.701 0 O-C-N 125.127 1.517 . . . . 0.0 112.924 169.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -133.21 127.11 33.05 Favored 'General case' 2 C--N 1.449 4.904 0 O-C-N 124.862 1.351 . . . . 0.0 113.356 -175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.747 ' O ' ' HB ' ' A' ' 67' ' ' VAL 0.313 3.5 p -120.8 125.74 74.42 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.083 0 CA-C-O 118.952 -0.547 . . . . 0.0 112.328 179.946 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.263 46.1 m-80 78.96 -5.21 2.03 Favored 'General case' 2 N--CA 1.623 8.18 0 C-N-CA 129.083 2.953 . . . . 0.0 114.191 -166.736 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.327 5.8 tp10 86.53 23.97 0.06 Allowed 'General case' 3 N--CA 1.591 6.607 0 C-N-CA 131.547 3.939 . . . . 0.0 108.837 -159.579 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.747 ' HB ' ' O ' ' A' ' 64' ' ' VAL . 1.2 t -97.57 145.75 8.83 Favored 'Isoleucine or valine' 1 C--N 1.446 4.785 0 C-N-CA 129.766 3.226 . . . . 0.0 110.522 -178.36 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.436 4.4 p-10 -82.61 93.79 7.4 Favored 'General case' 0 C--N 1.405 3.0 0 O-C-N 125.682 1.864 . . . . 0.0 114.941 -178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.46 26.2 m -90.49 -8.6 10.6 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.947 0 CA-C-N 113.374 -1.739 . . . . 0.0 115.666 176.361 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -46.46 -26.15 0.8 Allowed 'General case' 2 N--CA 1.596 6.832 0 C-N-CA 128.203 2.601 . . . . 0.0 117.18 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -152.29 80.11 1.24 Allowed 'General case' 1 C--N 1.456 5.206 0 C-N-CA 129.739 3.216 . . . . 0.0 108.823 177.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.565 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.273 19.2 m -143.83 162.2 15.78 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.699 0 C-N-CA 127.062 2.145 . . . . 0.0 110.295 178.013 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -77.4 164.59 25.34 Favored 'General case' 1 N--CA 1.576 5.835 0 C-N-CA 126.461 1.904 . . . . 0.0 111.626 167.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.34 9.2 p-80 -53.64 -52.38 60.1 Favored 'General case' 2 N--CA 1.593 6.714 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 176.627 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.9 m -58.97 -34.76 72.18 Favored 'General case' 2 N--CA 1.571 5.602 0 C-N-CA 127.101 2.16 . . . . 0.0 113.883 176.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.77 -22.88 62.33 Favored 'General case' 1 C--N 1.454 5.147 0 C-N-CA 128.682 2.793 . . . . 0.0 114.073 175.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -35.84 14.88 Favored 'General case' 1 C--N 1.461 5.43 0 C-N-CA 126.666 1.986 . . . . 0.0 112.292 174.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.4 t -70.69 -40.61 77.15 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.532 0 C-N-CA 127.816 2.446 . . . . 0.0 111.869 177.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.3 mt-10 -64.2 -16.67 62.44 Favored 'General case' 1 N--CA 1.597 6.881 0 C-N-CA 127.954 2.501 . . . . 0.0 115.042 177.186 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.74 -29.51 32.86 Favored 'General case' 1 CA--C 1.634 4.181 0 C-N-CA 126.764 2.025 . . . . 0.0 112.439 167.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.33 -32.91 14.81 Favored 'General case' 2 C--N 1.459 5.335 0 N-CA-C 116.242 1.942 . . . . 0.0 116.242 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -86.91 -39.8 15.44 Favored 'General case' 0 N--CA 1.533 3.705 0 C-N-CA 127.508 2.323 . . . . 0.0 113.895 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.273 40.7 mt-10 -91.05 -11.57 38.34 Favored 'General case' 2 N--CA 1.58 6.063 0 N-CA-C 119.886 3.291 . . . . 0.0 119.886 -175.817 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.99 -24.0 56.36 Favored 'General case' 3 N--CA 1.598 6.929 0 N-CA-C 115.401 1.63 . . . . 0.0 115.401 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.09 -34.59 5.24 Favored Glycine 1 C--N 1.423 5.383 0 N-CA-C 119.651 2.62 . . . . 0.0 119.651 164.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.4 m -172.06 -34.32 0.01 OUTLIER 'General case' 1 N--CA 1.565 5.31 0 C-N-CA 129.102 2.961 . . . . 0.0 111.621 -172.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.261 23.6 mm -124.73 125.26 69.62 Favored 'Isoleucine or valine' 1 C--N 1.442 4.621 0 C-N-CA 126.168 1.787 . . . . 0.0 109.33 -176.741 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.368 18.9 m -122.79 121.98 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.931 0 C-N-CA 127.475 2.31 . . . . 0.0 112.462 176.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.378 36.9 ptt180 -113.26 98.88 7.4 Favored 'General case' 1 N--CA 1.549 4.517 0 C-N-CA 126.075 1.75 . . . . 0.0 114.369 -178.561 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.34 137.28 32.8 Favored 'General case' 0 N--CA 1.527 3.389 0 C-N-CA 127.494 2.318 . . . . 0.0 113.637 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -117.87 112.26 20.12 Favored 'General case' 0 C--O 1.299 3.658 0 C-N-CA 126.443 1.897 . . . . 0.0 111.15 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.6 m -106.7 159.92 6.31 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.067 0 O-C-N 127.0 2.688 . . . . 0.0 115.466 -174.753 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 4.0 ppp? -123.16 116.62 23.74 Favored 'General case' 1 N--CA 1.566 5.333 0 C-N-CA 127.717 2.407 . . . . 0.0 114.08 -176.106 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -123.89 164.83 18.47 Favored 'General case' 0 N--CA 1.533 3.684 0 C-N-CA 128.075 2.55 . . . . 0.0 111.313 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 -90.57 147.12 23.55 Favored 'General case' 1 CA--C 1.638 4.331 0 C-N-CA 127.8 2.44 . . . . 0.0 110.108 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.304 21.0 pttp -55.9 118.62 21.21 Favored Pre-proline 2 CA--C 1.679 5.918 0 C-N-CA 128.539 2.736 . . . . 0.0 117.945 -175.455 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -81.4 153.25 18.18 Favored 'Trans proline' 3 C--N 1.549 11.102 0 C-N-CA 123.815 3.01 . . . . 0.0 116.616 174.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -70.54 140.75 40.42 Favored 'Trans proline' 3 C--N 1.551 11.188 0 C-N-CA 123.802 3.001 . . . . 0.0 116.263 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.434 4.258 0 C-N-CA 126.321 1.848 . . . . 0.0 113.05 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.484 5.8 m . . . . . 0 N--CA 1.529 3.496 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.349 9.1 p -86.37 -47.3 16.39 Favored 'Isoleucine or valine' 2 N--CA 1.544 4.243 0 C-N-CA 127.477 2.311 . . . . 0.0 112.128 178.067 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . 0.426 62.1 m 57.86 144.27 0.01 OUTLIER 'General case' 1 C--N 1.447 4.846 0 C-N-CA 130.648 3.579 . . . . 0.0 119.555 171.235 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.65 170.28 13.8 Favored 'General case' 0 CA--C 1.627 3.906 1 C-N-CA 132.746 4.419 . . . . 0.0 115.26 175.115 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -77.72 -31.01 52.03 Favored 'General case' 1 N--CA 1.551 4.582 0 C-N-CA 127.994 2.518 . . . . 0.0 112.24 172.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.657 9.7 tp 50.31 64.18 0.2 Allowed 'Isoleucine or valine' 2 N--CA 1.578 5.956 0 C-N-CA 130.349 3.46 . . . . 0.0 115.571 -178.04 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 76.7 p -118.1 20.83 13.08 Favored 'General case' 2 N--CA 1.572 5.645 0 CA-C-N 110.747 -2.933 . . . . 0.0 114.385 -174.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.419 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 50.7 m -92.76 -177.47 4.56 Favored 'General case' 1 CA--C 1.635 4.225 0 C-N-CA 127.62 2.368 . . . . 0.0 114.73 -172.399 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 2 C--N 1.45 4.978 0 C-N-CA 126.368 1.867 . . . . 0.0 107.537 -179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.416 0 CA-C-O 119.38 -0.678 . . . . 0.0 112.974 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.7 143.65 35.91 Favored 'General case' 0 N--CA 1.538 3.945 0 C-N-CA 126.625 1.97 . . . . 0.0 113.485 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.315 1.0 OUTLIER -98.79 149.39 22.93 Favored 'General case' 1 C--N 1.433 4.229 0 C-N-CA 125.947 1.699 . . . . 0.0 113.235 174.482 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.4 10.3 pt-20 -120.33 139.32 52.93 Favored 'General case' 0 N--CA 1.534 3.746 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -172.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.298 21.1 ptt? -75.95 139.17 41.44 Favored 'General case' 1 N--CA 1.545 4.309 0 C-N-CA 127.721 2.408 . . . . 0.0 114.152 178.742 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.393 11.2 pt-20 -115.06 114.45 25.38 Favored 'General case' 1 N--CA 1.546 4.354 0 C-N-CA 126.956 2.103 . . . . 0.0 114.526 -172.837 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -101.18 142.74 32.18 Favored 'General case' 0 N--CA 1.535 3.815 0 C-N-CA 126.614 1.966 . . . . 0.0 113.172 -176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -122.74 129.83 52.22 Favored 'General case' 1 N--CA 1.544 4.228 0 C-N-CA 125.465 1.506 . . . . 0.0 114.186 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.28 10.9 pt-20 -107.11 108.75 20.37 Favored 'General case' 0 C--N 1.421 3.684 0 C-N-CA 126.072 1.749 . . . . 0.0 111.841 174.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.0 mt -116.54 133.72 62.27 Favored 'Isoleucine or valine' 2 N--CA 1.55 4.555 0 O-C-N 124.769 1.293 . . . . 0.0 111.179 -177.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.24 125.85 51.66 Favored 'General case' 1 N--CA 1.549 4.523 0 C-N-CA 127.89 2.476 . . . . 0.0 113.997 171.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -125.22 166.73 15.94 Favored 'General case' 1 N--CA 1.54 4.06 0 C-N-CA 127.817 2.447 . . . . 0.0 112.065 174.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -97.15 141.39 30.33 Favored 'General case' 2 C--N 1.438 4.43 0 C-N-CA 126.293 1.837 . . . . 0.0 110.219 173.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.9 108.86 17.15 Favored 'General case' 0 N--CA 1.538 3.972 0 C-N-CA 128.423 2.689 . . . . 0.0 114.203 -170.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.57 -61.85 3.9 Favored Glycine 2 N--CA 1.556 6.657 0 N-CA-C 118.458 2.143 . . . . 0.0 118.458 164.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -63.01 -21.82 66.42 Favored 'General case' 2 N--CA 1.572 5.656 0 C-N-CA 128.555 2.742 . . . . 0.0 115.735 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.1 t -91.14 -22.96 20.43 Favored 'General case' 2 C--N 1.448 4.884 0 C-N-CA 125.966 1.706 . . . . 0.0 112.79 176.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.8 62.05 0.75 Allowed Glycine 1 C--N 1.482 8.664 0 CA-C-O 118.565 -1.131 . . . . 0.0 114.939 170.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.68 112.21 2.74 Favored 'General case' 2 C--N 1.44 4.524 0 C-N-CA 126.55 1.94 . . . . 0.0 113.756 -179.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.89 69.38 0.25 Allowed Glycine 1 C--N 1.415 4.925 0 C-N-CA 126.144 1.83 . . . . 0.0 115.961 -167.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -159.55 167.19 29.16 Favored 'General case' 1 CA--C 1.629 4.014 0 C-N-CA 129.571 3.148 . . . . 0.0 108.466 169.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.497 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.5 m -134.72 139.41 45.18 Favored 'General case' 1 C--N 1.455 5.18 0 CA-C-N 119.227 0.922 . . . . 0.0 111.297 166.43 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.477 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.447 2.0 pp -114.47 129.68 70.1 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.688 0 N-CA-C 118.829 2.899 . . . . 0.0 118.829 -172.877 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.72 118.04 36.03 Favored 'General case' 1 C--N 1.431 4.141 0 CA-C-N 113.22 -1.809 . . . . 0.0 111.192 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -139.5 156.66 24.77 Favored Glycine 0 C--O 1.293 3.835 0 C-N-CA 125.896 1.712 . . . . 0.0 113.324 -177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.88 124.59 0.86 Allowed Glycine 1 C--N 1.42 5.211 0 N-CA-C 121.143 3.217 . . . . 0.0 121.143 -175.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.253 6.9 p -102.41 -34.34 9.2 Favored 'General case' 1 N--CA 1.548 4.443 0 O-C-N 126.356 1.856 . . . . 0.0 112.252 160.6 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -107.51 -36.2 6.54 Favored 'General case' 1 C--N 1.439 4.483 0 C-N-CA 125.73 1.612 . . . . 0.0 112.719 176.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -101.43 110.42 61.59 Favored Pre-proline 2 C--N 1.447 4.824 0 C-N-CA 126.851 2.06 . . . . 0.0 113.697 -178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.72 171.01 14.01 Favored 'Trans proline' 3 C--N 1.543 10.808 0 C-N-CA 124.241 3.294 . . . . 0.0 116.566 176.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . 0.273 77.9 t60 -119.44 -46.77 2.47 Favored 'General case' 1 C--N 1.439 4.47 0 C-N-CA 125.125 1.37 . . . . 0.0 112.07 167.002 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.331 4.4 tp -123.51 26.07 3.38 Favored 'Isoleucine or valine' 1 CA--C 1.665 5.37 0 C-N-CA 125.937 1.695 . . . . 0.0 113.339 -170.816 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.84 -66.36 0.58 Allowed Glycine 1 C--N 1.404 4.345 0 C-N-CA 125.395 1.474 . . . . 0.0 113.452 -175.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -168.29 83.51 0.18 Allowed 'General case' 1 N--CA 1.545 4.29 0 C-N-CA 130.633 3.573 . . . . 0.0 106.934 177.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -104.96 122.43 43.22 Favored Pre-proline 2 CA--C 1.675 5.783 0 C-N-CA 125.911 1.684 . . . . 0.0 112.173 178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -76.52 -28.75 6.49 Favored 'Trans proline' 3 C--N 1.553 11.29 0 C-N-CA 123.997 3.131 . . . . 0.0 118.448 176.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 p -87.64 152.36 22.23 Favored 'General case' 2 N--CA 1.556 4.836 0 C-N-CA 127.124 2.17 . . . . 0.0 114.793 -176.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.619 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.313 0.8 OUTLIER -90.44 113.13 25.92 Favored 'Isoleucine or valine' 3 C--N 1.455 5.185 0 C-N-CA 125.53 1.532 . . . . 0.0 109.983 -177.646 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -120.53 145.78 46.97 Favored 'General case' 0 N--CA 1.534 3.734 0 C-N-CA 129.165 2.986 . . . . 0.0 111.576 -171.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 mm -87.18 144.91 8.32 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.94 0 C-N-CA 126.148 1.779 . . . . 0.0 111.376 176.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.387 15.1 t -142.73 -33.38 0.46 Allowed 'General case' 1 N--CA 1.548 4.454 0 C-N-CA 126.528 1.931 . . . . 0.0 112.889 175.77 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.274 53.8 tptt -113.41 126.71 55.65 Favored 'General case' 1 C--N 1.459 5.341 0 O-C-N 124.442 1.089 . . . . 0.0 112.657 -179.05 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.628 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.272 37.9 mm -127.12 121.83 58.68 Favored 'Isoleucine or valine' 0 CA--C 1.616 3.488 0 C-N-CA 127.329 2.252 . . . . 0.0 107.715 172.008 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.8 mp -79.09 134.0 60.25 Favored Pre-proline 2 CA--C 1.682 6.049 0 C-N-CA 126.523 1.929 . . . . 0.0 110.735 172.255 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.48 -20.48 60.85 Favored 'Trans proline' 3 C--N 1.535 10.352 0 C-N-CA 124.24 3.293 . . . . 0.0 117.731 179.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.71 43.23 1.31 Allowed Glycine 1 C--N 1.43 5.794 0 CA-C-O 118.178 -1.345 . . . . 0.0 116.308 179.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.46 -178.1 32.68 Favored Glycine 2 C--N 1.438 6.204 0 C-N-CA 125.168 1.365 . . . . 0.0 115.171 172.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.03 -37.53 28.97 Favored 'General case' 1 N--CA 1.54 4.071 0 C-N-CA 127.746 2.418 . . . . 0.0 115.503 -178.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.81 -22.59 39.88 Favored 'General case' 2 C--N 1.445 4.725 0 C-N-CA 126.807 2.043 . . . . 0.0 115.853 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.87 -42.06 13.53 Favored 'General case' 1 C--N 1.446 4.788 0 C-N-CA 127.121 2.168 . . . . 0.0 113.69 177.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -90.63 -55.32 3.62 Favored 'General case' 1 C--N 1.447 4.838 0 C-N-CA 127.106 2.162 . . . . 0.0 114.62 178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.06 -32.25 15.96 Favored 'General case' 1 C--N 1.459 5.333 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -175.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.24 -47.31 4.72 Favored Glycine 2 C--N 1.443 6.499 0 N-CA-C 117.876 1.91 . . . . 0.0 117.876 -173.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.534 99.3 mtt180 87.05 52.13 0.01 OUTLIER 'General case' 2 N--CA 1.58 6.068 0 C-N-CA 130.357 3.463 . . . . 0.0 115.977 -178.36 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.89 127.05 55.31 Favored 'General case' 0 C--N 1.418 3.553 0 C-N-CA 127.944 2.497 . . . . 0.0 112.31 171.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -111.84 161.93 15.83 Favored 'General case' 0 N--CA 1.536 3.841 0 C-N-CA 128.392 2.677 . . . . 0.0 110.683 171.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.556 HG13 HG12 ' A' ' 43' ' ' ILE 0.277 2.9 m -52.82 -29.86 14.95 Favored 'Isoleucine or valine' 1 N--CA 1.63 8.558 0 C-N-CA 127.794 2.437 . . . . 0.0 116.174 175.284 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -90.43 7.96 36.11 Favored 'General case' 1 CA--C 1.668 5.505 0 C-N-CA 129.11 2.964 . . . . 0.0 112.046 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.254 1.9 m-20 -88.94 -36.06 16.11 Favored 'General case' 2 C--N 1.485 6.496 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 178.752 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.4 m 45.43 118.78 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.824 0 C-N-CA 128.559 2.744 . . . . 0.0 116.578 177.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mt -86.39 126.65 40.69 Favored 'Isoleucine or valine' 1 N--CA 1.561 5.123 0 C-N-CA 124.714 1.206 . . . . 0.0 110.216 -175.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.257 1.5 pt? -92.17 -44.6 8.7 Favored 'General case' 1 C--N 1.431 4.128 0 O-C-N 124.817 1.323 . . . . 0.0 112.434 170.764 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -131.79 134.25 45.62 Favored 'General case' 2 C--N 1.447 4.834 0 O-C-N 125.1 1.5 . . . . 0.0 113.201 -176.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.297 14.3 t -116.36 137.28 50.63 Favored 'Isoleucine or valine' 1 N--CA 1.575 5.822 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 178.455 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.316 11.1 m120 76.0 -79.86 0.04 OUTLIER 'General case' 2 N--CA 1.586 6.372 0 C-N-CA 128.902 2.881 . . . . 0.0 111.602 -176.751 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -160.08 8.66 0.1 Allowed 'General case' 2 CA--C 1.637 4.297 1 C-N-CA 134.83 5.252 . . . . 0.0 106.813 170.804 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.369 25.1 m -103.43 155.25 5.5 Favored 'Isoleucine or valine' 1 C--N 1.46 5.37 0 C-N-CA 127.601 2.36 . . . . 0.0 115.319 -166.86 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.418 4.4 p30 -86.07 98.28 10.77 Favored 'General case' 0 C--N 1.412 3.291 0 C-N-CA 127.696 2.398 . . . . 0.0 114.504 -176.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.392 19.1 m -91.41 -18.68 7.3 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.324 0 CA-C-N 112.649 -2.069 . . . . 0.0 114.631 176.228 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.306 16.9 ptm180 -43.46 -27.67 0.29 Allowed 'General case' 3 N--CA 1.586 6.372 0 C-N-CA 128.69 2.796 . . . . 0.0 117.548 -178.404 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -140.84 75.48 1.51 Allowed 'General case' 1 C--N 1.436 4.327 0 C-N-CA 129.489 3.116 . . . . 0.0 109.695 174.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.54 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.277 18.3 m -142.75 166.85 15.06 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.419 0 C-N-CA 126.825 2.05 . . . . 0.0 109.07 174.903 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 p -80.92 164.94 22.23 Favored 'General case' 1 N--CA 1.564 5.258 0 C-N-CA 127.725 2.41 . . . . 0.0 110.293 168.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.281 6.1 p80 -52.7 -49.66 64.91 Favored 'General case' 2 N--CA 1.601 7.118 0 C-N-CA 125.235 1.414 . . . . 0.0 113.193 176.681 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.9 p -55.64 -37.21 67.93 Favored 'General case' 2 C--N 1.44 4.513 0 C-N-CA 128.199 2.6 . . . . 0.0 114.832 174.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.74 -20.36 53.6 Favored 'General case' 1 C--N 1.464 5.583 0 C-N-CA 127.488 2.315 . . . . 0.0 113.277 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.67 -34.31 18.48 Favored 'General case' 1 C--N 1.467 5.71 0 C-N-CA 126.507 1.923 . . . . 0.0 112.693 172.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -72.69 -39.85 60.92 Favored 'Isoleucine or valine' 3 N--CA 1.595 6.781 0 C-N-CA 127.449 2.3 . . . . 0.0 111.245 176.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.7 mt-10 -62.69 -19.46 63.9 Favored 'General case' 2 N--CA 1.596 6.869 0 C-N-CA 128.286 2.634 . . . . 0.0 115.367 176.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.96 -28.62 39.59 Favored 'General case' 1 CA--C 1.632 4.1 0 C-N-CA 126.93 2.092 . . . . 0.0 112.026 168.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.67 -28.48 16.64 Favored 'General case' 2 C--N 1.457 5.267 0 C-N-CA 127.223 2.209 . . . . 0.0 116.482 178.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.0 mttm -90.45 -37.12 14.15 Favored 'General case' 1 N--CA 1.542 4.15 0 C-N-CA 127.557 2.343 . . . . 0.0 114.247 175.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.283 39.7 mt-10 -91.18 -15.73 28.85 Favored 'General case' 2 N--CA 1.591 6.602 0 N-CA-C 120.488 3.514 . . . . 0.0 120.488 -177.666 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.24 -24.43 18.58 Favored 'General case' 3 N--CA 1.605 7.301 0 N-CA-C 116.272 1.953 . . . . 0.0 116.272 -178.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.24 -35.36 4.8 Favored Glycine 1 C--N 1.424 5.43 0 N-CA-C 119.245 2.458 . . . . 0.0 119.245 166.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 89.3 p -171.84 -34.31 0.02 OUTLIER 'General case' 1 N--CA 1.56 5.031 0 C-N-CA 128.03 2.532 . . . . 0.0 113.243 -174.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.298 42.2 mm -128.53 121.26 54.75 Favored 'Isoleucine or valine' 1 C--N 1.434 4.255 0 C-N-CA 126.177 1.791 . . . . 0.0 108.65 -176.257 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.13 122.15 66.79 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.041 0 C-N-CA 127.892 2.477 . . . . 0.0 111.955 -175.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -109.55 135.35 50.67 Favored 'General case' 1 N--CA 1.54 4.053 0 C-N-CA 126.41 1.884 . . . . 0.0 111.496 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.9 pp -122.77 138.13 54.72 Favored 'General case' 0 N--CA 1.528 3.447 0 C-N-CA 128.106 2.563 . . . . 0.0 112.467 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -118.95 110.74 17.5 Favored 'General case' 0 C--O 1.304 3.955 0 C-N-CA 126.406 1.882 . . . . 0.0 110.58 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.264 23.2 m -105.78 159.9 5.79 Favored 'Isoleucine or valine' 2 N--CA 1.574 5.744 0 O-C-N 126.657 2.473 . . . . 0.0 115.088 -175.178 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.276 24.5 ptt? -128.59 121.89 29.73 Favored 'General case' 2 N--CA 1.578 5.939 0 C-N-CA 127.543 2.337 . . . . 0.0 114.686 -174.679 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -139.67 135.04 32.81 Favored 'General case' 1 N--CA 1.557 4.891 0 C-N-CA 127.462 2.305 . . . . 0.0 110.989 176.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -92.55 145.83 24.14 Favored 'General case' 0 CA--C 1.626 3.897 0 C-N-CA 126.149 1.78 . . . . 0.0 110.422 175.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.316 16.7 ptmt -67.19 117.91 50.92 Favored Pre-proline 2 CA--C 1.677 5.853 0 N-CA-C 116.75 2.13 . . . . 0.0 116.75 -173.721 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -84.28 145.71 10.91 Favored 'Trans proline' 3 C--N 1.546 10.927 0 C-N-CA 123.495 2.797 . . . . 0.0 116.49 173.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -71.82 128.49 14.23 Favored 'Trans proline' 3 C--N 1.549 11.084 0 C-N-CA 123.48 2.787 . . . . 0.0 116.103 174.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.428 4.008 0 C-N-CA 126.408 1.883 . . . . 0.0 112.965 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.311 8.3 p . . . . . 0 CA--C 1.593 2.625 0 CA-C-O 120.425 0.155 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.522 19.1 m 61.31 -19.74 0.0 OUTLIER 'Isoleucine or valine' 3 N--CA 1.613 7.708 0 N-CA-C 118.232 2.678 . . . . 0.0 118.232 -179.421 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 66.9 p -108.51 -60.27 1.76 Allowed 'General case' 0 C--N 1.422 3.743 0 C-N-CA 128.245 2.618 . . . . 0.0 116.61 -171.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.342 10.6 pt-20 -118.74 158.87 24.73 Favored 'General case' 2 C--N 1.463 5.533 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -173.291 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -70.86 -36.93 73.04 Favored 'General case' 3 N--CA 1.563 5.221 0 C-N-CA 128.595 2.758 . . . . 0.0 114.156 173.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.676 0.4 OUTLIER 61.57 59.44 0.19 Allowed 'Isoleucine or valine' 3 C--N 1.442 4.612 0 C-N-CA 130.714 3.605 . . . . 0.0 118.116 178.144 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.261 66.8 p -121.4 81.06 1.74 Allowed 'General case' 0 C--N 1.424 3.806 0 C-N-CA 126.934 2.094 . . . . 0.0 110.466 174.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.477 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 60.2 m -125.79 -176.14 3.54 Favored 'General case' 1 N--CA 1.539 4.011 0 C-N-CA 127.184 2.194 . . . . 0.0 112.316 -175.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.253 2.4 t . . . . . 1 C--N 1.444 4.702 0 C-N-CA 125.581 1.552 . . . . 0.0 108.348 -177.908 . . . . . . . . 2 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.434 0 CA-C-O 119.556 -0.58 . . . . 0.0 112.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.65 129.72 52.77 Favored 'General case' 0 C--N 1.426 3.909 0 C-N-CA 126.546 1.938 . . . . 0.0 112.906 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.0 mtt -111.2 135.44 51.72 Favored 'General case' 1 N--CA 1.548 4.452 0 C-N-CA 126.359 1.864 . . . . 0.0 114.068 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -111.11 -178.76 3.54 Favored 'General case' 1 N--CA 1.55 4.569 0 C-N-CA 127.065 2.146 . . . . 0.0 111.967 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.8 mmt -69.92 160.33 32.06 Favored 'General case' 2 N--CA 1.553 4.705 0 C-N-CA 129.421 3.088 . . . . 0.0 115.546 -172.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.43 10.9 pt-20 -129.28 110.82 12.27 Favored 'General case' 1 N--CA 1.55 4.565 0 C-N-CA 125.334 1.454 . . . . 0.0 114.651 -175.437 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -110.59 145.14 38.36 Favored 'General case' 1 N--CA 1.544 4.271 0 C-N-CA 126.51 1.924 . . . . 0.0 113.159 -178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -126.27 132.37 51.69 Favored 'General case' 1 N--CA 1.552 4.629 0 C-N-CA 125.728 1.611 . . . . 0.0 114.112 -179.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.297 11.9 pt-20 -108.56 108.98 20.1 Favored 'General case' 1 C--N 1.428 4.001 0 C-N-CA 125.744 1.617 . . . . 0.0 111.904 172.813 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -113.93 145.36 19.88 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.262 0 C-N-CA 125.018 1.327 . . . . 0.0 111.088 -177.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.41 127.23 55.61 Favored 'General case' 2 N--CA 1.554 4.739 0 C-N-CA 127.252 2.221 . . . . 0.0 113.75 172.813 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -128.21 148.53 50.62 Favored 'General case' 0 N--CA 1.534 3.768 0 C-N-CA 127.333 2.253 . . . . 0.0 113.01 175.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -100.92 127.42 47.41 Favored 'General case' 1 N--CA 1.548 4.438 0 C-N-CA 126.51 1.924 . . . . 0.0 110.309 178.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -87.3 120.78 28.94 Favored 'General case' 0 N--CA 1.536 3.852 0 C-N-CA 127.692 2.397 . . . . 0.0 113.257 -176.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 83.07 27.45 40.7 Favored Glycine 2 N--CA 1.543 5.829 0 N-CA-C 119.355 2.502 . . . . 0.0 119.355 172.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -90.68 -40.64 11.76 Favored 'General case' 1 N--CA 1.563 5.188 0 C-N-CA 126.103 1.761 . . . . 0.0 112.934 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.5 p -119.13 -21.42 7.62 Favored 'General case' 1 C--N 1.437 4.382 0 C-N-CA 127.191 2.196 . . . . 0.0 113.308 172.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.98 9.44 22.5 Favored Glycine 1 C--N 1.451 6.963 0 C-N-CA 125.784 1.659 . . . . 0.0 113.682 -177.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.458 78.4 mt 59.08 119.23 0.01 OUTLIER 'General case' 2 C--N 1.47 5.844 0 C-N-CA 130.355 3.462 . . . . 0.0 116.06 -178.285 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.21 54.07 1.82 Allowed Glycine 1 C--N 1.419 5.157 0 C-N-CA 126.623 2.059 . . . . 0.0 117.858 -167.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -160.15 172.21 17.86 Favored 'General case' 3 CA--C 1.635 4.236 0 C-N-CA 128.506 2.723 . . . . 0.0 109.005 168.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.553 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 70.0 m -137.01 142.4 42.51 Favored 'General case' 1 C--N 1.441 4.572 0 C-N-CA 125.534 1.533 . . . . 0.0 109.734 167.477 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.46 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.54 2.0 pp -118.35 126.12 74.82 Favored 'Isoleucine or valine' 2 N--CA 1.566 5.345 0 N-CA-C 119.56 3.171 . . . . 0.0 119.56 -175.286 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.515 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -103.82 117.52 34.53 Favored 'General case' 1 C--N 1.434 4.269 0 CA-C-N 112.833 -1.985 . . . . 0.0 110.826 -177.141 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.63 164.95 28.43 Favored Glycine 0 N--CA 1.512 3.74 0 C-N-CA 125.77 1.652 . . . . 0.0 113.702 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.44 134.38 1.95 Allowed Glycine 1 C--N 1.411 4.704 0 N-CA-C 119.576 2.59 . . . . 0.0 119.576 -176.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.297 12.3 p -108.88 -39.32 5.36 Favored 'General case' 1 N--CA 1.554 4.742 0 C-N-CA 125.382 1.473 . . . . 0.0 113.36 160.286 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.47 -36.69 7.46 Favored 'General case' 2 C--N 1.434 4.269 0 C-N-CA 125.398 1.479 . . . . 0.0 113.427 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -101.82 123.62 43.26 Favored Pre-proline 2 CA--C 1.67 5.586 0 C-N-CA 126.988 2.115 . . . . 0.0 111.038 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.473 ' HB2' ' HB2' ' B' ' 3' ' ' SER . 12.0 Cg_exo -68.92 151.96 73.61 Favored 'Trans proline' 3 C--N 1.542 10.738 0 C-N-CA 123.797 2.998 . . . . 0.0 117.388 176.064 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . 0.287 0.5 OUTLIER -113.75 -37.66 4.49 Favored 'General case' 0 C--N 1.418 3.553 0 C-N-CA 127.927 2.491 . . . . 0.0 112.34 170.389 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.581 ' HA ' HG23 ' B' ' 1' ' ' VAL 0.362 2.3 pp -128.02 -54.15 1.48 Allowed 'Isoleucine or valine' 1 N--CA 1.565 5.286 0 C-N-CA 126.362 1.865 . . . . 0.0 115.188 -169.958 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -170.5 34.79 0.17 Allowed Glycine 0 C--N 1.377 2.82 0 C-N-CA 128.674 3.035 . . . . 0.0 112.436 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.412 10.2 t70 84.96 73.75 0.02 OUTLIER 'General case' 2 N--CA 1.568 5.457 0 C-N-CA 131.329 3.852 . . . . 0.0 109.486 -177.366 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -58.86 134.13 86.89 Favored Pre-proline 2 CA--C 1.686 6.209 0 C-N-CA 128.914 2.886 . . . . 0.0 117.429 -175.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.33 -46.81 0.06 OUTLIER 'Trans proline' 3 C--N 1.536 10.436 0 C-N-CA 123.051 2.5 . . . . 0.0 116.659 168.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.9 p -100.8 162.86 12.62 Favored 'General case' 2 C--N 1.445 4.753 0 C-N-CA 127.71 2.404 . . . . 0.0 113.986 -178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.566 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.268 1.2 mm -92.38 127.35 44.63 Favored 'Isoleucine or valine' 3 C--N 1.454 5.151 0 C-N-CA 125.803 1.641 . . . . 0.0 109.429 -179.755 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -126.01 153.9 43.72 Favored 'General case' 1 N--CA 1.545 4.278 0 C-N-CA 127.419 2.288 . . . . 0.0 111.912 -173.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -90.33 141.81 13.84 Favored 'Isoleucine or valine' 1 C--N 1.453 5.091 0 C-N-CA 125.973 1.709 . . . . 0.0 109.071 171.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.321 2.2 p -145.05 -26.73 0.48 Allowed 'General case' 1 N--CA 1.556 4.839 0 C-N-CA 127.344 2.257 . . . . 0.0 113.973 -176.64 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 11.7 tmtt? -126.83 127.9 45.71 Favored 'General case' 1 C--N 1.469 5.793 0 C-N-CA 123.431 0.692 . . . . 0.0 110.753 178.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.621 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.277 42.1 mm -124.44 129.82 73.75 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.158 0 C-N-CA 127.126 2.171 . . . . 0.0 108.554 175.31 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.307 4.0 mp -82.97 130.38 57.81 Favored Pre-proline 2 CA--C 1.681 5.985 0 C-N-CA 125.611 1.564 . . . . 0.0 110.733 172.875 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.36 -22.79 65.91 Favored 'Trans proline' 3 C--N 1.538 10.521 0 C-N-CA 124.396 3.398 . . . . 0.0 117.483 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.27 44.58 1.2 Allowed Glycine 1 C--N 1.429 5.706 0 C-N-CA 125.001 1.286 . . . . 0.0 115.354 177.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.34 -177.63 30.11 Favored Glycine 2 C--N 1.436 6.13 0 C-N-CA 125.508 1.528 . . . . 0.0 115.353 174.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.73 -35.38 33.48 Favored 'General case' 1 N--CA 1.54 4.047 0 C-N-CA 127.69 2.396 . . . . 0.0 115.744 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.14 -26.17 36.31 Favored 'General case' 2 C--N 1.445 4.739 0 C-N-CA 126.703 2.001 . . . . 0.0 116.239 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.86 -42.45 16.38 Favored 'General case' 1 C--N 1.444 4.695 0 C-N-CA 127.228 2.211 . . . . 0.0 113.481 177.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -90.95 -56.99 2.96 Favored 'General case' 1 C--N 1.448 4.889 0 C-N-CA 127.297 2.239 . . . . 0.0 115.086 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.89 -33.59 15.57 Favored 'General case' 1 C--N 1.46 5.389 0 N-CA-C 117.751 2.5 . . . . 0.0 117.751 -172.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.65 -49.84 4.2 Favored Glycine 2 C--N 1.443 6.501 0 N-CA-C 117.437 1.735 . . . . 0.0 117.437 -173.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.581 0.3 OUTLIER 90.26 53.84 0.01 OUTLIER 'General case' 2 N--CA 1.568 5.461 0 C-N-CA 130.551 3.541 . . . . 0.0 116.359 -178.149 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.01 131.13 55.31 Favored 'General case' 0 C--N 1.419 3.593 0 C-N-CA 127.856 2.462 . . . . 0.0 111.175 170.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.14 153.97 24.97 Favored 'General case' 0 N--CA 1.525 3.305 0 C-N-CA 127.532 2.333 . . . . 0.0 110.328 170.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.3 p -56.39 -27.95 25.48 Favored 'Isoleucine or valine' 2 CA--C 1.655 5.001 0 C-N-CA 128.847 2.859 . . . . 0.0 115.79 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -91.91 9.22 33.89 Favored 'General case' 1 CA--C 1.673 5.71 0 C-N-CA 128.937 2.895 . . . . 0.0 112.419 178.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.257 1.4 m-20 -87.29 -31.08 20.41 Favored 'General case' 2 C--N 1.487 6.549 0 N-CA-C 116.299 1.963 . . . . 0.0 116.299 -179.769 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.5 t 44.56 122.84 0.0 OUTLIER 'General case' 2 N--CA 1.592 6.641 0 C-N-CA 129.536 3.134 . . . . 0.0 116.113 176.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.492 HG21 HG13 ' A' ' 64' ' ' VAL . 15.6 mt -84.79 130.55 35.85 Favored 'Isoleucine or valine' 2 N--CA 1.559 4.976 0 C-N-CA 125.029 1.332 . . . . 0.0 110.55 -176.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.256 1.5 pt? -96.02 -46.03 6.67 Favored 'General case' 1 C--N 1.43 4.068 0 O-C-N 125.071 1.482 . . . . 0.0 112.082 168.109 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -132.99 135.94 45.77 Favored 'General case' 1 C--N 1.45 4.978 0 O-C-N 125.05 1.469 . . . . 0.0 113.273 -176.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.492 HG13 HG21 ' A' ' 61' ' ' ILE 0.514 0.5 OUTLIER -119.37 142.07 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.769 0 C-N-CA 124.438 1.095 . . . . 0.0 112.957 173.646 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.306 86.1 m-20 73.6 -81.2 0.03 OUTLIER 'General case' 3 N--CA 1.57 5.546 0 C-N-CA 128.822 2.849 . . . . 0.0 111.045 -176.547 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -156.4 9.01 0.23 Allowed 'General case' 2 CA--C 1.638 4.349 1 C-N-CA 133.812 4.845 . . . . 0.0 107.231 170.089 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.377 28.3 m -104.89 154.04 6.49 Favored 'Isoleucine or valine' 1 C--N 1.454 5.147 0 C-N-CA 128.407 2.683 . . . . 0.0 115.614 -166.637 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -89.26 110.58 21.34 Favored 'General case' 0 C--N 1.415 3.448 0 CA-C-N 111.272 -2.694 . . . . 0.0 111.397 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.499 20.2 m -103.06 -16.17 7.64 Favored 'Isoleucine or valine' 1 N--CA 1.547 4.393 0 CA-C-N 111.467 -2.606 . . . . 0.0 116.263 176.625 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.38 39.0 ptt180 -50.89 -19.24 0.94 Allowed 'General case' 2 N--CA 1.586 6.347 0 N-CA-C 118.689 2.848 . . . . 0.0 118.689 -178.797 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -147.17 73.53 1.3 Allowed 'General case' 1 C--N 1.435 4.319 0 C-N-CA 128.219 2.608 . . . . 0.0 107.55 176.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.559 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.288 15.6 m -142.11 162.94 19.34 Favored 'Isoleucine or valine' 1 N--CA 1.553 4.692 0 C-N-CA 127.355 2.262 . . . . 0.0 110.792 177.846 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 p -79.13 163.81 24.77 Favored 'General case' 1 N--CA 1.571 5.586 0 C-N-CA 126.789 2.036 . . . . 0.0 111.566 166.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.282 3.3 p80 -54.66 -50.67 67.64 Favored 'General case' 2 N--CA 1.597 6.902 0 C-N-CA 125.824 1.649 . . . . 0.0 114.488 176.889 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.0 m -58.73 -35.56 72.9 Favored 'General case' 2 N--CA 1.565 5.284 0 C-N-CA 126.95 2.1 . . . . 0.0 113.58 175.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.33 -23.08 61.86 Favored 'General case' 1 C--N 1.456 5.213 0 C-N-CA 128.706 2.803 . . . . 0.0 114.375 174.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.04 -29.64 18.26 Favored 'General case' 1 C--N 1.461 5.446 0 C-N-CA 126.711 2.004 . . . . 0.0 112.994 175.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 80.4 t -75.25 -41.58 43.9 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.843 0 C-N-CA 127.776 2.431 . . . . 0.0 110.162 172.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.85 -23.92 66.58 Favored 'General case' 2 N--CA 1.596 6.859 0 C-N-CA 128.898 2.879 . . . . 0.0 115.612 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.96 -28.57 61.56 Favored 'General case' 0 C--N 1.426 3.909 0 C-N-CA 127.089 2.155 . . . . 0.0 111.823 168.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.505 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.254 12.0 mt -93.01 -34.03 13.89 Favored 'General case' 1 C--N 1.453 5.099 0 C-N-CA 127.263 2.225 . . . . 0.0 115.758 179.624 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm -83.65 -36.2 24.0 Favored 'General case' 1 N--CA 1.546 4.36 0 C-N-CA 128.115 2.566 . . . . 0.0 113.203 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.267 40.6 mt-10 -87.93 -18.99 27.92 Favored 'General case' 2 N--CA 1.592 6.66 0 N-CA-C 119.601 3.185 . . . . 0.0 119.601 -177.537 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.47 -23.15 62.49 Favored 'General case' 3 N--CA 1.59 6.545 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 178.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 106.9 -34.91 5.38 Favored Glycine 1 C--N 1.425 5.49 0 N-CA-C 119.979 2.751 . . . . 0.0 119.979 165.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.5 t -172.59 -30.55 0.01 OUTLIER 'General case' 1 N--CA 1.567 5.388 0 C-N-CA 128.193 2.597 . . . . 0.0 111.147 -173.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.274 24.7 mm -124.25 124.26 68.26 Favored 'Isoleucine or valine' 1 C--N 1.439 4.466 0 C-N-CA 125.61 1.564 . . . . 0.0 109.578 -178.639 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.378 19.7 m -125.12 122.34 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.855 0 C-N-CA 127.666 2.387 . . . . 0.0 112.8 178.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.433 33.8 ptt180 -114.68 105.78 13.45 Favored 'General case' 1 N--CA 1.552 4.673 0 C-N-CA 126.201 1.801 . . . . 0.0 115.157 -177.578 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 pp -96.26 137.66 35.01 Favored 'General case' 0 N--CA 1.531 3.61 0 C-N-CA 128.2 2.6 . . . . 0.0 114.543 -176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -117.38 110.88 18.58 Favored 'General case' 1 C--O 1.312 4.388 0 C-N-CA 126.372 1.869 . . . . 0.0 111.003 177.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 27.2 m -105.83 159.77 5.86 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.449 0 O-C-N 127.001 2.688 . . . . 0.0 114.908 -176.699 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.286 23.7 ptm -127.0 119.63 27.11 Favored 'General case' 1 N--CA 1.565 5.32 0 C-N-CA 127.817 2.447 . . . . 0.0 114.51 -175.464 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -119.19 127.29 53.16 Favored 'General case' 0 C--N 1.417 3.521 0 C-N-CA 127.25 2.22 . . . . 0.0 107.986 176.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -84.25 136.11 34.07 Favored 'General case' 1 N--CA 1.553 4.694 0 C-N-CA 126.406 1.882 . . . . 0.0 115.966 -176.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.301 0.0 OUTLIER -62.24 121.35 65.75 Favored Pre-proline 2 CA--C 1.671 5.61 0 C-N-CA 128.008 2.523 . . . . 0.0 117.123 179.355 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -75.54 144.03 28.06 Favored 'Trans proline' 3 C--N 1.546 10.959 0 C-N-CA 123.481 2.787 . . . . 0.0 116.027 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -68.9 132.06 23.87 Favored 'Trans proline' 3 C--N 1.55 11.155 0 C-N-CA 123.776 2.984 . . . . 0.0 116.59 177.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.43 4.076 0 C-N-CA 126.594 1.957 . . . . 0.0 112.79 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.581 HG23 ' HA ' ' A' ' 32' ' ' ILE 0.364 9.6 p . . . . . 0 CA--C 1.599 2.863 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.35 7.9 p -99.43 -43.72 11.46 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.149 0 C-N-CA 126.761 2.025 . . . . 0.0 114.642 -175.133 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.473 ' HB2' ' HB2' ' A' ' 30' ' ' PRO . 69.7 m -150.42 121.6 7.78 Favored 'General case' 2 N--CA 1.56 5.072 0 C-N-CA 124.942 1.297 . . . . 0.0 112.718 -170.739 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.252 3.9 tt0 -149.86 123.14 8.96 Favored 'General case' 2 C--N 1.44 4.522 0 C-N-CA 125.022 1.329 . . . . 0.0 113.168 173.657 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 27.8 ttp180 -121.68 83.39 2.08 Favored 'General case' 0 CA--C 1.624 3.791 0 CA-C-N 112.303 -2.226 . . . . 0.0 105.329 166.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.515 HD13 ' HB2' ' A' ' 24' ' ' ALA 0.509 11.1 tp -97.45 69.5 0.46 Allowed 'Isoleucine or valine' 2 C--N 1.435 4.294 0 CA-C-O 123.116 1.436 . . . . 0.0 112.723 -177.924 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 76.3 p -120.09 20.27 12.11 Favored 'General case' 2 N--CA 1.563 5.186 0 CA-C-N 110.365 -3.107 . . . . 0.0 114.306 -179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.46 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 55.1 m -84.27 -168.67 2.26 Favored 'General case' 3 CA--C 1.65 4.817 0 C-N-CA 127.192 2.197 . . . . 0.0 114.997 -174.058 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 N--CA 1.555 4.817 0 C-N-CA 126.965 2.106 . . . . 0.0 109.378 -173.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.544 0 CA-C-O 119.459 -0.634 . . . . 0.0 112.905 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.81 145.97 28.96 Favored 'General case' 0 N--CA 1.538 3.946 0 C-N-CA 126.331 1.852 . . . . 0.0 114.123 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.715 20.9 mmt 75.4 108.63 0.07 Allowed 'General case' 2 C--N 1.441 4.569 0 C-N-CA 129.964 3.305 . . . . 0.0 118.523 -179.115 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.3 10.3 pt-20 -120.63 159.23 25.71 Favored 'General case' 0 N--CA 1.536 3.842 0 C-N-CA 128.873 2.869 . . . . 0.0 114.77 -175.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.329 26.1 ptt? -77.53 163.92 25.86 Favored 'General case' 2 N--CA 1.549 4.506 0 C-N-CA 127.39 2.276 . . . . 0.0 114.355 177.28 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -113.65 121.7 44.93 Favored 'General case' 1 N--CA 1.55 4.541 0 C-N-CA 125.91 1.684 . . . . 0.0 112.478 -170.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -107.07 144.55 33.59 Favored 'General case' 1 N--CA 1.548 4.448 0 C-N-CA 126.121 1.769 . . . . 0.0 113.237 -176.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -128.58 132.81 48.23 Favored 'General case' 1 C--N 1.437 4.384 0 C-N-CA 124.87 1.268 . . . . 0.0 110.892 -178.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.292 11.6 pt-20 -106.7 113.44 26.94 Favored 'General case' 0 C--N 1.419 3.608 0 C-N-CA 126.469 1.908 . . . . 0.0 112.648 176.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.6 mt -112.8 139.48 37.63 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.589 0 C-N-CA 124.738 1.215 . . . . 0.0 108.921 -179.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.496 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.9 m -120.21 121.55 38.99 Favored 'General case' 0 N--CA 1.529 3.524 0 C-N-CA 125.662 1.585 . . . . 0.0 108.704 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.9 mt -114.67 141.67 47.49 Favored 'General case' 0 N--CA 1.518 2.941 0 C-N-CA 127.302 2.241 . . . . 0.0 112.417 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -91.5 129.53 37.47 Favored 'General case' 2 CA--C 1.639 4.385 0 C-N-CA 127.16 2.184 . . . . 0.0 106.379 166.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -64.38 114.92 4.61 Favored 'General case' 1 N--CA 1.54 4.06 0 C-N-CA 128.448 2.699 . . . . 0.0 116.174 -174.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -82.93 159.43 37.76 Favored Glycine 2 C--N 1.423 5.365 0 CA-C-N 113.033 -1.894 . . . . 0.0 116.162 179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -76.39 -22.32 54.93 Favored 'General case' 1 N--CA 1.569 5.525 0 C-N-CA 127.015 2.126 . . . . 0.0 115.228 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.3 m -94.55 -21.7 18.69 Favored 'General case' 1 C--N 1.438 4.417 0 C-N-CA 126.569 1.948 . . . . 0.0 114.727 178.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.42 45.89 0.77 Allowed Glycine 1 C--N 1.465 7.702 0 C-N-CA 124.495 1.045 . . . . 0.0 111.289 178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD12 HG12 ' B' ' 9' ' ' VAL 0.572 3.0 mt 70.06 -83.59 0.03 OUTLIER 'General case' 1 C--N 1.438 4.44 0 C-N-CA 131.549 3.94 . . . . 0.0 115.52 -178.292 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.73 33.87 0.02 OUTLIER Glycine 0 C--N 1.387 3.405 0 C-N-CA 125.363 1.459 . . . . 0.0 113.947 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -158.57 168.43 26.92 Favored 'General case' 1 C--N 1.452 5.045 0 C-N-CA 128.057 2.543 . . . . 0.0 109.882 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -135.42 141.36 45.43 Favored 'General case' 1 C--N 1.452 5.024 0 C-N-CA 124.906 1.282 . . . . 0.0 110.55 168.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.469 2.4 pp -117.04 126.23 74.33 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.412 0 N-CA-C 119.133 3.012 . . . . 0.0 119.133 -173.302 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.17 117.52 34.96 Favored 'General case' 1 C--N 1.432 4.162 0 CA-C-N 113.281 -1.782 . . . . 0.0 110.7 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.07 158.47 28.38 Favored Glycine 1 N--CA 1.519 4.19 0 C-N-CA 125.682 1.61 . . . . 0.0 113.432 -175.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.97 140.24 3.4 Favored Glycine 1 C--N 1.41 4.68 0 N-CA-C 119.667 2.627 . . . . 0.0 119.667 -173.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.278 5.5 p -100.62 -40.13 7.55 Favored 'General case' 1 N--CA 1.551 4.612 0 C-N-CA 126.004 1.722 . . . . 0.0 112.782 162.763 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . 0.422 2.0 p30 -107.14 -28.33 10.03 Favored 'General case' 1 C--N 1.443 4.669 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 174.188 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -100.6 101.73 16.4 Favored Pre-proline 2 CA--C 1.653 4.932 0 C-N-CA 126.52 1.928 . . . . 0.0 112.853 178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -77.32 160.22 32.58 Favored 'Trans proline' 3 C--N 1.55 11.155 0 C-N-CA 123.761 2.974 . . . . 0.0 117.576 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -110.4 -54.09 2.62 Favored 'General case' 0 C--N 1.427 3.935 0 C-N-CA 127.011 2.124 . . . . 0.0 111.551 172.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.378 5.0 tp -113.92 -30.46 2.13 Favored 'Isoleucine or valine' 1 CA--C 1.649 4.781 0 C-N-CA 125.907 1.683 . . . . 0.0 115.288 -168.843 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.78 62.64 0.01 OUTLIER Glycine 1 C--N 1.401 4.15 0 C-N-CA 125.6 1.572 . . . . 0.0 114.43 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.451 9.3 m-20 60.17 66.69 0.93 Allowed 'General case' 2 N--CA 1.575 5.788 0 C-N-CA 129.831 3.252 . . . . 0.0 115.261 -179.915 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.87 128.89 24.65 Favored Pre-proline 1 CA--C 1.639 4.383 0 CA-C-N 112.211 -2.268 . . . . 0.0 114.768 -177.039 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -73.08 -23.07 18.66 Favored 'Trans proline' 3 C--N 1.553 11.338 0 C-N-CA 124.208 3.272 . . . . 0.0 118.683 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.2 p -81.66 142.87 32.33 Favored 'General case' 2 N--CA 1.556 4.839 0 C-N-CA 126.921 2.088 . . . . 0.0 115.066 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.286 1.0 OUTLIER -95.18 108.73 21.31 Favored 'Isoleucine or valine' 3 C--N 1.444 4.714 0 C-N-CA 125.785 1.634 . . . . 0.0 109.403 -176.789 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -114.16 148.78 36.69 Favored 'General case' 0 N--CA 1.532 3.664 0 C-N-CA 129.097 2.959 . . . . 0.0 111.646 -170.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -85.88 142.63 12.89 Favored 'Isoleucine or valine' 2 C--N 1.438 4.425 0 C-N-CA 126.455 1.902 . . . . 0.0 110.376 179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.3 m -138.82 -39.86 0.5 Allowed 'General case' 0 N--CA 1.529 3.488 0 C-N-CA 127.468 2.307 . . . . 0.0 109.79 -170.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -126.18 130.87 51.84 Favored 'General case' 1 C--N 1.459 5.347 0 O-C-N 124.292 0.995 . . . . 0.0 111.13 -175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.63 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 46.7 mm -124.52 127.16 72.79 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.27 0 C-N-CA 126.723 2.009 . . . . 0.0 108.515 174.332 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.31 3.3 mp -81.47 130.46 61.85 Favored Pre-proline 2 CA--C 1.68 5.961 0 C-N-CA 126.353 1.861 . . . . 0.0 111.307 173.567 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.56 -22.8 64.71 Favored 'Trans proline' 3 C--N 1.54 10.627 0 C-N-CA 124.3 3.333 . . . . 0.0 117.657 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.94 39.3 1.84 Allowed Glycine 1 C--N 1.428 5.691 0 CA-C-O 118.15 -1.361 . . . . 0.0 115.642 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.1 -177.36 40.62 Favored Glycine 2 C--N 1.442 6.457 0 C-N-CA 125.595 1.569 . . . . 0.0 116.458 175.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.62 -39.28 27.74 Favored 'General case' 0 N--CA 1.535 3.823 0 C-N-CA 129.312 3.045 . . . . 0.0 115.026 -177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.7 -25.41 35.51 Favored 'General case' 2 C--N 1.447 4.848 0 C-N-CA 126.951 2.1 . . . . 0.0 116.141 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.82 -41.52 18.97 Favored 'General case' 1 C--N 1.446 4.761 0 C-N-CA 127.127 2.171 . . . . 0.0 113.655 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -90.94 -56.35 3.21 Favored 'General case' 1 C--N 1.452 5.064 0 C-N-CA 127.187 2.195 . . . . 0.0 114.953 177.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.1 -33.26 15.54 Favored 'General case' 2 C--N 1.46 5.388 0 N-CA-C 117.83 2.53 . . . . 0.0 117.83 -173.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.41 -48.01 4.69 Favored Glycine 2 C--N 1.438 6.242 0 N-CA-C 117.771 1.868 . . . . 0.0 117.771 -173.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.526 98.0 mtt180 89.75 53.54 0.01 OUTLIER 'General case' 2 N--CA 1.582 6.144 0 C-N-CA 130.567 3.547 . . . . 0.0 116.012 -178.793 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 tp -111.43 132.09 54.72 Favored 'General case' 0 C--N 1.421 3.692 0 C-N-CA 127.121 2.168 . . . . 0.0 112.377 172.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.57 153.72 25.86 Favored 'General case' 0 N--CA 1.526 3.355 0 C-N-CA 128.095 2.558 . . . . 0.0 110.2 169.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -56.89 -25.48 22.23 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.189 0 C-N-CA 128.432 2.693 . . . . 0.0 116.097 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -91.93 8.82 35.68 Favored 'General case' 1 CA--C 1.666 5.404 0 C-N-CA 128.879 2.872 . . . . 0.0 112.788 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -84.1 -32.87 24.51 Favored 'General case' 2 C--N 1.486 6.543 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 12.2 t 45.78 121.89 0.0 OUTLIER 'General case' 2 N--CA 1.598 6.962 0 C-N-CA 129.662 3.185 . . . . 0.0 115.865 176.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.419 HG21 HG13 ' A' ' 64' ' ' VAL . 16.6 mt -84.77 130.91 35.24 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.243 0 C-N-CA 125.283 1.433 . . . . 0.0 110.829 -176.457 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.263 1.5 pt? -97.56 -45.45 6.4 Favored 'General case' 0 C--N 1.422 3.744 0 CA-C-N 114.366 -1.288 . . . . 0.0 112.279 167.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -132.22 134.57 45.49 Favored 'General case' 1 C--N 1.448 4.85 0 O-C-N 125.01 1.444 . . . . 0.0 113.084 -176.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.419 HG13 HG21 ' A' ' 61' ' ' ILE 0.421 0.0 OUTLIER -120.35 134.63 63.21 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.428 0 C-N-CA 124.801 1.24 . . . . 0.0 111.255 173.819 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 75.31 -10.22 1.27 Allowed 'General case' 2 N--CA 1.606 7.374 0 C-N-CA 129.013 2.925 . . . . 0.0 114.536 -176.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.416 46.8 mt-10 95.83 6.62 0.03 OUTLIER 'General case' 3 N--CA 1.58 6.041 1 C-N-CA 132.039 4.135 . . . . 0.0 111.661 -159.299 . . . . . . . . 4 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.398 30.1 m -94.62 153.38 3.47 Favored 'Isoleucine or valine' 1 C--N 1.467 5.675 0 C-N-CA 127.381 2.272 . . . . 0.0 113.842 178.382 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.444 4.4 p-10 -83.62 101.81 11.75 Favored 'General case' 0 C--N 1.41 3.208 0 C-N-CA 127.264 2.226 . . . . 0.0 115.762 -172.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.456 25.7 m -100.55 -3.77 9.39 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.315 0 CA-C-N 112.611 -2.086 . . . . 0.0 115.312 175.678 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.297 38.3 ptt180 -47.48 -27.55 1.8 Allowed 'General case' 2 N--CA 1.58 6.067 0 C-N-CA 128.762 2.825 . . . . 0.0 117.744 179.149 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -151.02 80.11 1.32 Allowed 'General case' 1 C--N 1.442 4.593 0 C-N-CA 129.854 3.261 . . . . 0.0 108.69 178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 18.7 m -142.98 162.37 17.43 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.642 0 C-N-CA 126.852 2.061 . . . . 0.0 110.579 178.105 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.1 164.47 25.66 Favored 'General case' 1 N--CA 1.57 5.569 0 C-N-CA 126.606 1.962 . . . . 0.0 112.217 167.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.271 6.7 p80 -51.27 -54.06 29.56 Favored 'General case' 2 N--CA 1.596 6.868 0 C-N-CA 126.441 1.896 . . . . 0.0 114.253 176.178 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.9 m -60.22 -36.64 78.16 Favored 'General case' 2 N--CA 1.565 5.302 0 C-N-CA 126.816 2.046 . . . . 0.0 113.494 177.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.54 -22.7 63.54 Favored 'General case' 1 C--N 1.455 5.194 0 C-N-CA 128.639 2.776 . . . . 0.0 114.266 174.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -33.98 15.76 Favored 'General case' 1 C--N 1.463 5.536 0 C-N-CA 126.648 1.979 . . . . 0.0 112.727 175.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 88.0 t -73.2 -41.91 58.31 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.564 0 C-N-CA 127.536 2.335 . . . . 0.0 111.225 176.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -57.78 -30.42 65.64 Favored 'General case' 2 N--CA 1.562 5.15 0 C-N-CA 128.874 2.87 . . . . 0.0 114.812 177.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.67 -29.11 67.51 Favored 'General case' 1 C--N 1.449 4.905 0 C-N-CA 127.428 2.291 . . . . 0.0 113.092 171.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.01 -29.57 16.53 Favored 'General case' 2 C--N 1.444 4.706 0 C-N-CA 127.375 2.27 . . . . 0.0 114.003 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -85.11 -28.32 25.66 Favored 'General case' 0 C--N 1.424 3.824 0 C-N-CA 127.589 2.356 . . . . 0.0 113.979 174.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.409 9.8 pt-20 -73.81 -44.08 56.89 Favored 'General case' 2 N--CA 1.583 6.194 0 N-CA-C 119.804 3.261 . . . . 0.0 119.804 178.047 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.33 -21.64 9.96 Favored 'General case' 2 C--N 1.45 4.971 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 -172.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 91.63 -34.77 4.2 Favored Glycine 1 C--N 1.42 5.201 0 N-CA-C 120.592 2.997 . . . . 0.0 120.592 167.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 87.9 p -162.05 -32.7 0.04 OUTLIER 'General case' 1 N--CA 1.544 4.246 0 C-N-CA 126.843 2.057 . . . . 0.0 113.596 -169.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.601 ' CA ' ' CB ' ' A' ' 87' ' ' ILE 0.287 45.0 mm -130.36 108.76 16.21 Favored 'Isoleucine or valine' 0 C--N 1.426 3.917 0 C-N-CA 126.664 1.986 . . . . 0.0 108.94 -175.047 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.258 0.0 OUTLIER -113.79 118.94 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.474 0 O-C-N 125.774 1.921 . . . . 0.0 112.422 178.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.496 ' HB3' HG23 ' A' ' 11' ' ' THR 0.423 37.6 ptt180 -111.42 99.93 8.61 Favored 'General case' 1 N--CA 1.558 4.97 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -176.4 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.94 139.35 30.62 Favored 'General case' 0 N--CA 1.53 3.559 0 C-N-CA 128.092 2.557 . . . . 0.0 113.934 -178.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -119.91 112.32 19.05 Favored 'General case' 1 C--O 1.315 4.518 0 C-N-CA 126.802 2.041 . . . . 0.0 110.75 178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.277 33.7 m -106.88 158.7 6.79 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.962 0 O-C-N 127.014 2.696 . . . . 0.0 115.299 -175.371 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.314 25.4 ptt? -124.76 116.94 23.11 Favored 'General case' 1 N--CA 1.562 5.136 0 C-N-CA 127.87 2.468 . . . . 0.0 114.625 -175.117 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -118.09 155.02 31.11 Favored 'General case' 0 N--CA 1.522 3.164 0 C-N-CA 128.594 2.758 . . . . 0.0 110.48 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -88.65 143.15 27.13 Favored 'General case' 1 N--CA 1.543 4.223 0 C-N-CA 126.934 2.094 . . . . 0.0 114.044 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.321 50.6 pttt -46.94 138.57 7.25 Favored Pre-proline 2 N--CA 1.576 5.856 0 C-N-CA 129.738 3.215 . . . . 0.0 117.144 -178.121 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -40.85 116.61 0.43 Allowed 'Trans proline' 3 C--N 1.563 11.828 1 C-N-CA 125.746 4.297 . . . . 0.0 120.466 -171.3 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -73.63 -31.56 8.55 Favored 'Trans proline' 3 C--N 1.551 11.217 0 C-N-CA 123.858 3.039 . . . . 0.0 117.431 175.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.45 4.952 0 C-N-CA 126.588 1.955 . . . . 0.0 112.874 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.395 10.4 p . . . . . 0 CA--C 1.624 3.805 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.297 7.2 m -105.85 18.37 5.41 Favored 'Isoleucine or valine' 2 N--CA 1.559 4.976 0 C-N-CA 127.54 2.336 . . . . 0.0 112.084 173.886 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -72.81 158.09 36.23 Favored 'General case' 1 C--N 1.448 4.869 0 C-N-CA 130.237 3.415 . . . . 0.0 116.177 -172.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -52.66 -173.82 0.0 OUTLIER 'General case' 2 CA--C 1.67 5.593 1 C-N-CA 135.536 5.534 . . . . 0.0 116.423 171.555 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.271 16.7 ptm180 -71.05 -36.06 72.17 Favored 'General case' 3 N--CA 1.556 4.872 0 C-N-CA 127.658 2.383 . . . . 0.0 114.705 173.558 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 1.594 ' CB ' ' CA ' ' B' ' 6' ' ' ILE 0.665 10.4 tp 53.64 66.26 0.17 Allowed 'Isoleucine or valine' 3 N--CA 1.578 5.944 0 C-N-CA 129.793 3.237 . . . . 0.0 116.722 177.13 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 73.5 m -124.18 25.63 7.74 Favored 'General case' 2 N--CA 1.554 4.75 0 C-N-CA 128.224 2.61 . . . . 0.0 111.841 177.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.421 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 66.3 m -76.92 -174.14 2.98 Favored 'General case' 3 N--CA 1.55 4.562 0 C-N-CA 128.584 2.754 . . . . 0.0 115.037 -174.055 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 1.56 ' CA ' ' CB ' ' B' ' 9' ' ' VAL 0.251 3.1 t . . . . . 2 C--N 1.446 4.8 0 C-N-CA 126.006 1.722 . . . . 0.0 107.931 -176.708 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.466 0 CA-C-O 119.523 -0.598 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.65 130.28 55.61 Favored 'General case' 0 N--CA 1.537 3.901 0 C-N-CA 126.476 1.91 . . . . 0.0 112.965 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 12.2 mmt -114.09 141.06 47.94 Favored 'General case' 2 N--CA 1.54 4.056 0 C-N-CA 126.087 1.755 . . . . 0.0 114.631 177.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.386 11.6 pt-20 -112.84 158.33 20.28 Favored 'General case' 0 N--CA 1.533 3.701 0 C-N-CA 127.112 2.165 . . . . 0.0 115.574 -178.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.5 ptp -107.59 162.8 13.63 Favored 'General case' 1 CA--C 1.632 4.109 0 C-N-CA 128.783 2.833 . . . . 0.0 113.604 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.338 10.6 pt-20 -128.7 120.65 26.88 Favored 'General case' 1 N--CA 1.55 4.534 0 C-N-CA 127.395 2.278 . . . . 0.0 112.656 -179.348 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -102.05 143.16 32.25 Favored 'General case' 1 N--CA 1.551 4.593 0 C-N-CA 125.864 1.666 . . . . 0.0 113.098 -176.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -127.02 132.57 50.72 Favored 'General case' 1 C--N 1.435 4.308 0 C-N-CA 124.56 1.144 . . . . 0.0 111.003 -177.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.319 0.0 OUTLIER -105.54 114.18 28.2 Favored 'General case' 0 C--N 1.42 3.639 0 C-N-CA 126.566 1.946 . . . . 0.0 112.815 176.164 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.8 mt -112.83 138.92 40.42 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.633 0 C-N-CA 124.805 1.242 . . . . 0.0 108.937 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.534 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.5 m -118.71 120.09 36.37 Favored 'General case' 0 N--CA 1.53 3.549 0 C-N-CA 125.506 1.522 . . . . 0.0 108.957 175.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.1 mt -116.28 145.93 42.78 Favored 'General case' 0 N--CA 1.524 3.241 0 C-N-CA 127.366 2.266 . . . . 0.0 112.421 178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.285 11.3 pt-20 -103.63 123.8 47.66 Favored 'General case' 0 C--N 1.42 3.673 0 C-N-CA 125.698 1.599 . . . . 0.0 109.845 167.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -52.45 111.24 0.61 Allowed 'General case' 1 N--CA 1.559 4.981 0 C-N-CA 129.971 3.308 . . . . 0.0 114.057 -169.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.68 157.81 52.98 Favored Glycine 2 N--CA 1.55 6.285 0 N-CA-C 117.89 1.916 . . . . 0.0 117.89 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.307 7.6 p30 -69.15 -31.28 69.83 Favored 'General case' 1 N--CA 1.573 5.713 0 C-N-CA 127.347 2.259 . . . . 0.0 115.859 179.763 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.4 p -95.4 -20.55 19.01 Favored 'General case' 1 CA--C 1.631 4.082 0 C-N-CA 127.258 2.223 . . . . 0.0 113.688 172.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.62 60.45 0.43 Allowed Glycine 1 C--N 1.452 6.978 0 C-N-CA 125.753 1.644 . . . . 0.0 111.695 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.55 3.1 mm? 65.29 -89.73 0.03 OUTLIER 'General case' 1 C--N 1.447 4.821 0 C-N-CA 129.71 3.204 . . . . 0.0 115.856 -173.491 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . 154.56 38.74 0.02 OUTLIER Glycine 0 C--N 1.397 3.96 0 C-N-CA 125.662 1.601 . . . . 0.0 113.945 -179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -156.73 166.37 33.57 Favored 'General case' 1 C--N 1.44 4.525 0 C-N-CA 129.207 3.003 . . . . 0.0 109.022 177.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 73.7 m -132.68 145.04 50.73 Favored 'General case' 1 C--N 1.441 4.568 0 C-N-CA 125.175 1.39 . . . . 0.0 110.705 169.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.528 2.2 pp -121.95 127.14 75.3 Favored 'Isoleucine or valine' 2 N--CA 1.579 6.015 0 N-CA-C 119.359 3.096 . . . . 0.0 119.359 -175.475 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.9 117.99 35.41 Favored 'General case' 1 C--N 1.429 4.026 0 CA-C-N 113.782 -1.553 . . . . 0.0 111.525 -177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.8 157.77 26.28 Favored Glycine 0 N--CA 1.512 3.754 0 C-N-CA 125.564 1.554 . . . . 0.0 113.713 -175.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.09 153.8 10.53 Favored Glycine 2 N--CA 1.518 4.122 0 N-CA-C 117.689 1.836 . . . . 0.0 117.689 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 11.5 p -106.06 -44.78 4.5 Favored 'General case' 1 N--CA 1.56 5.041 0 C-N-CA 126.194 1.798 . . . . 0.0 113.014 166.506 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -102.24 -32.36 10.1 Favored 'General case' 1 C--N 1.431 4.134 0 C-N-CA 126.486 1.915 . . . . 0.0 113.133 176.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -100.66 105.07 35.22 Favored Pre-proline 2 CA--C 1.653 4.927 0 C-N-CA 126.902 2.081 . . . . 0.0 111.413 178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_endo -76.2 157.63 37.71 Favored 'Trans proline' 3 C--N 1.541 10.67 0 C-N-CA 123.657 2.905 . . . . 0.0 118.836 -177.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -104.67 -57.5 2.02 Favored 'General case' 0 CA--C 1.625 3.837 0 C-N-CA 128.637 2.775 . . . . 0.0 111.09 173.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.265 1.6 tp -98.59 -31.37 3.64 Favored 'Isoleucine or valine' 1 CA--C 1.656 5.022 0 C-N-CA 127.878 2.471 . . . . 0.0 113.375 -172.088 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 170.36 -61.33 0.18 Allowed Glycine 0 C--N 1.389 3.482 0 C-N-CA 126.941 2.21 . . . . 0.0 113.765 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -167.45 80.69 0.2 Allowed 'General case' 1 N--CA 1.556 4.825 0 C-N-CA 130.128 3.371 . . . . 0.0 107.641 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -98.3 138.95 20.9 Favored Pre-proline 1 CA--C 1.655 4.989 0 C-N-CA 127.2 2.2 . . . . 0.0 116.608 178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -80.45 -33.48 0.97 Allowed 'Trans proline' 3 C--N 1.55 11.162 0 C-N-CA 123.539 2.826 . . . . 0.0 117.713 171.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.9 p -97.9 154.16 17.85 Favored 'General case' 2 N--CA 1.553 4.721 0 C-N-CA 127.047 2.139 . . . . 0.0 115.171 -174.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.552 ' CB ' ' CA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -97.06 133.36 38.91 Favored 'Isoleucine or valine' 3 C--N 1.448 4.869 0 C-N-CA 126.474 1.91 . . . . 0.0 109.555 -179.052 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -129.22 156.51 43.84 Favored 'General case' 1 N--CA 1.552 4.664 0 C-N-CA 127.448 2.299 . . . . 0.0 112.195 -177.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -89.03 144.35 9.28 Favored 'Isoleucine or valine' 2 C--N 1.458 5.3 0 C-N-CA 126.1 1.76 . . . . 0.0 109.067 168.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.327 11.5 p -147.36 -25.54 0.38 Allowed 'General case' 1 N--CA 1.556 4.875 0 C-N-CA 127.375 2.27 . . . . 0.0 113.551 -179.168 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.2 tmtm? -126.79 126.88 44.14 Favored 'General case' 1 C--N 1.477 6.117 0 C-N-CA 123.116 0.567 . . . . 0.0 111.277 179.638 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.598 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.275 43.5 mm -123.29 130.3 74.36 Favored 'Isoleucine or valine' 0 CA--C 1.617 3.531 0 C-N-CA 126.926 2.09 . . . . 0.0 108.636 173.566 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.295 3.1 mp -83.5 132.45 49.51 Favored Pre-proline 2 CA--C 1.679 5.925 0 C-N-CA 126.56 1.944 . . . . 0.0 110.886 173.595 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.95 -22.36 62.85 Favored 'Trans proline' 3 C--N 1.538 10.519 0 C-N-CA 124.203 3.269 . . . . 0.0 117.678 179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.93 39.35 1.83 Allowed Glycine 1 C--N 1.428 5.69 0 CA-C-O 118.071 -1.405 . . . . 0.0 115.806 178.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -94.22 -177.64 38.93 Favored Glycine 2 C--N 1.441 6.395 0 C-N-CA 125.467 1.508 . . . . 0.0 116.519 174.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.81 -38.18 28.85 Favored 'General case' 0 N--CA 1.535 3.791 0 C-N-CA 129.118 2.967 . . . . 0.0 115.21 -177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.52 -23.26 37.4 Favored 'General case' 2 C--N 1.448 4.876 0 C-N-CA 126.829 2.052 . . . . 0.0 116.037 176.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.97 -41.02 15.24 Favored 'General case' 1 C--N 1.443 4.663 0 C-N-CA 127.047 2.139 . . . . 0.0 113.598 178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -90.57 -56.23 3.27 Favored 'General case' 1 C--N 1.448 4.867 0 C-N-CA 127.062 2.145 . . . . 0.0 114.531 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -91.1 -31.14 16.36 Favored 'General case' 1 C--N 1.459 5.369 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 -174.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.06 -49.88 3.64 Favored Glycine 2 C--N 1.44 6.349 0 N-CA-C 117.874 1.909 . . . . 0.0 117.874 -173.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.543 8.5 mpt_? 88.95 52.27 0.01 OUTLIER 'General case' 2 N--CA 1.576 5.833 0 C-N-CA 130.553 3.541 . . . . 0.0 116.329 -178.021 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 tp -111.59 129.38 56.09 Favored 'General case' 0 C--N 1.422 3.72 0 C-N-CA 127.311 2.245 . . . . 0.0 112.528 172.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -112.03 157.84 20.26 Favored 'General case' 0 N--CA 1.532 3.636 0 C-N-CA 128.123 2.569 . . . . 0.0 110.627 170.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.578 HG13 HG12 ' A' ' 43' ' ' ILE 0.278 3.1 m -51.39 -30.4 10.54 Favored 'Isoleucine or valine' 1 N--CA 1.634 8.731 0 C-N-CA 127.718 2.407 . . . . 0.0 116.187 175.645 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.283 9.7 p30 -90.36 8.15 34.97 Favored 'General case' 1 CA--C 1.653 4.909 0 C-N-CA 128.672 2.789 . . . . 0.0 113.724 -178.068 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.08 -34.96 16.57 Favored 'General case' 2 C--N 1.488 6.62 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.269 67.2 m 43.93 120.22 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.681 0 C-N-CA 129.361 3.065 . . . . 0.0 117.07 177.082 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.54 HG21 HG23 ' A' ' 64' ' ' VAL 0.25 15.0 mt -82.47 131.68 33.19 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.15 0 C-N-CA 125.171 1.389 . . . . 0.0 111.038 -175.959 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -97.3 -44.77 6.76 Favored 'General case' 1 C--N 1.429 4.057 0 O-C-N 125.217 1.573 . . . . 0.0 112.505 167.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -133.42 130.3 38.5 Favored 'General case' 1 C--N 1.445 4.722 0 O-C-N 125.161 1.538 . . . . 0.0 111.778 -175.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.54 HG23 HG21 ' A' ' 61' ' ' ILE 0.268 1.0 OUTLIER -119.67 139.89 45.49 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.914 0 CA-C-O 117.41 -1.281 . . . . 0.0 108.939 178.164 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 70.91 -5.37 1.51 Allowed 'General case' 2 N--CA 1.628 8.429 0 C-N-CA 126.794 2.038 . . . . 0.0 114.785 -174.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.393 1.3 mp0 79.93 20.92 0.57 Allowed 'General case' 3 N--CA 1.586 6.374 0 C-N-CA 130.101 3.36 . . . . 0.0 111.589 -156.754 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 64' ' ' VAL 0.261 0.3 OUTLIER -106.24 148.43 10.65 Favored 'Isoleucine or valine' 1 C--N 1.449 4.923 0 C-N-CA 128.311 2.644 . . . . 0.0 109.962 -176.699 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.359 4.2 p-10 -82.87 97.49 8.68 Favored 'General case' 0 C--N 1.401 2.833 0 C-N-CA 127.335 2.254 . . . . 0.0 114.359 -174.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.425 24.0 m -90.71 -9.81 10.27 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.028 0 CA-C-N 112.733 -2.031 . . . . 0.0 114.512 173.737 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -46.14 -25.95 0.68 Allowed 'General case' 2 N--CA 1.597 6.887 0 C-N-CA 128.436 2.694 . . . . 0.0 116.93 178.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -153.79 76.54 1.07 Allowed 'General case' 2 C--N 1.448 4.876 0 C-N-CA 128.595 2.758 . . . . 0.0 108.009 177.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.579 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.281 18.0 m -138.7 166.15 23.23 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.68 0 C-N-CA 126.525 1.93 . . . . 0.0 109.497 175.001 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.6 p -79.71 162.74 25.01 Favored 'General case' 1 N--CA 1.556 4.838 0 C-N-CA 127.752 2.421 . . . . 0.0 110.969 168.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -47.98 -54.56 12.49 Favored 'General case' 3 N--CA 1.579 5.999 0 C-N-CA 128.616 2.766 . . . . 0.0 111.536 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.6 m -62.1 -30.1 70.78 Favored 'General case' 1 C--N 1.453 5.108 0 C-N-CA 127.123 2.169 . . . . 0.0 114.157 177.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.64 -19.83 51.7 Favored 'General case' 1 C--N 1.481 6.31 0 C-N-CA 126.511 1.924 . . . . 0.0 112.983 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.7 -37.01 15.86 Favored 'General case' 1 C--N 1.468 5.742 0 C-N-CA 126.403 1.881 . . . . 0.0 112.652 172.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -72.28 -41.51 65.93 Favored 'Isoleucine or valine' 3 N--CA 1.593 6.711 0 C-N-CA 126.968 2.107 . . . . 0.0 112.043 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 42.8 mt-10 -64.7 -18.13 64.72 Favored 'General case' 1 N--CA 1.601 7.125 0 C-N-CA 127.771 2.428 . . . . 0.0 114.819 177.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.25 -28.47 47.8 Favored 'General case' 1 CA--C 1.631 4.064 0 C-N-CA 126.663 1.985 . . . . 0.0 112.438 167.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.42 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.6 mt -92.49 -33.83 14.34 Favored 'General case' 2 C--N 1.461 5.416 0 C-N-CA 126.666 1.986 . . . . 0.0 116.211 178.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -85.6 -40.04 16.68 Favored 'General case' 0 N--CA 1.538 3.954 0 C-N-CA 127.155 2.182 . . . . 0.0 114.068 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.462 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.278 40.0 mt-10 -91.43 -12.95 33.23 Favored 'General case' 2 N--CA 1.581 6.08 0 N-CA-C 120.085 3.365 . . . . 0.0 120.085 -175.694 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.04 -24.76 41.49 Favored 'General case' 3 N--CA 1.605 7.279 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 179.18 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 114.82 -35.11 4.55 Favored Glycine 1 C--N 1.423 5.376 0 N-CA-C 118.215 2.046 . . . . 0.0 118.215 166.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 82.0 p -175.58 -33.44 0.01 OUTLIER 'General case' 2 N--CA 1.555 4.787 0 C-N-CA 129.07 2.948 . . . . 0.0 112.943 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.292 42.5 mm -121.87 115.9 47.74 Favored 'Isoleucine or valine' 1 C--N 1.43 4.074 0 C-N-CA 126.256 1.822 . . . . 0.0 109.064 -174.087 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -120.69 117.03 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.524 3.26 0 C-N-CA 127.611 2.364 . . . . 0.0 111.22 -177.715 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.534 ' HB3' HG23 ' A' ' 11' ' ' THR 0.41 35.5 ptt180 -113.93 100.24 8.27 Favored 'General case' 1 N--CA 1.559 4.986 0 C-N-CA 126.136 1.774 . . . . 0.0 115.587 -173.83 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.67 143.21 26.52 Favored 'General case' 0 N--CA 1.531 3.601 0 C-N-CA 127.779 2.432 . . . . 0.0 114.175 -177.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -122.75 113.59 19.4 Favored 'General case' 1 C--O 1.315 4.503 0 C-N-CA 127.356 2.262 . . . . 0.0 110.869 178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 33.7 m -107.09 159.15 6.82 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.189 0 O-C-N 126.89 2.619 . . . . 0.0 115.308 -175.603 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.305 25.7 ptt? -126.33 117.38 22.87 Favored 'General case' 1 N--CA 1.565 5.309 0 C-N-CA 127.566 2.347 . . . . 0.0 114.409 -175.072 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.318 16.0 ptm180 -132.4 130.76 41.04 Favored 'General case' 1 N--CA 1.549 4.522 0 C-N-CA 126.805 2.042 . . . . 0.0 112.893 179.793 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -83.13 140.38 32.65 Favored 'General case' 1 N--CA 1.559 5.003 0 C-N-CA 126.57 1.948 . . . . 0.0 114.944 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -72.41 124.43 90.79 Favored Pre-proline 2 N--CA 1.562 5.126 0 C-N-CA 127.846 2.458 . . . . 0.0 114.974 -175.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -73.77 147.08 39.18 Favored 'Trans proline' 3 C--N 1.552 11.269 0 C-N-CA 123.778 2.986 . . . . 0.0 116.749 177.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.96 -31.47 24.08 Favored 'Trans proline' 3 C--N 1.551 11.194 0 C-N-CA 123.883 3.056 . . . . 0.0 117.597 176.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.447 4.807 0 C-N-CA 126.645 1.978 . . . . 0.0 112.865 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.5 1.7 m . . . . . 0 N--CA 1.534 3.727 0 N-CA-C 115.373 1.619 . . . . 0.0 115.373 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.31 5.4 m -110.74 -13.09 11.23 Favored 'Isoleucine or valine' 2 N--CA 1.559 4.997 0 C-N-CA 127.906 2.483 . . . . 0.0 116.047 -174.758 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 71.6 m -119.2 -4.78 10.48 Favored 'General case' 2 C--N 1.442 4.588 0 C-N-CA 126.35 1.86 . . . . 0.0 114.878 -171.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -93.51 147.82 22.64 Favored 'General case' 2 C--N 1.434 4.266 0 C-N-CA 127.378 2.271 . . . . 0.0 113.977 -172.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.261 13.8 ptp180 -118.77 -43.54 2.67 Favored 'General case' 0 CA--C 1.626 3.874 0 C-N-CA 128.47 2.708 . . . . 0.0 111.757 169.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.666 3.8 tt 54.44 83.62 0.05 OUTLIER 'Isoleucine or valine' 3 C--N 1.453 5.072 0 C-N-CA 131.181 3.792 . . . . 0.0 116.712 -177.933 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 73.6 m -117.7 22.1 12.55 Favored 'General case' 2 N--CA 1.571 5.578 0 C-N-CA 127.114 2.166 . . . . 0.0 113.397 178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 56.6 m -96.24 179.71 4.95 Favored 'General case' 1 N--CA 1.546 4.34 0 C-N-CA 127.279 2.231 . . . . 0.0 115.987 -170.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t . . . . . 2 C--N 1.455 5.159 0 C-N-CA 127.654 2.381 . . . . 0.0 107.272 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.591 0 CA-C-O 119.538 -0.59 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.72 5.02 41.16 Favored 'General case' 2 N--CA 1.554 4.753 0 C-N-CA 126.42 1.888 . . . . 0.0 115.539 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.446 26.1 ptt? -99.2 -7.89 25.85 Favored 'General case' 2 N--CA 1.572 5.668 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -178.788 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.313 9.7 pt-20 -120.38 154.37 35.2 Favored 'General case' 0 N--CA 1.537 3.91 0 C-N-CA 129.027 2.931 . . . . 0.0 114.659 179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.309 26.2 ptt? -74.31 158.68 33.57 Favored 'General case' 2 N--CA 1.557 4.922 0 C-N-CA 127.486 2.314 . . . . 0.0 114.109 176.821 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.379 11.2 pt-20 -119.17 123.1 43.53 Favored 'General case' 1 N--CA 1.554 4.735 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -169.354 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -107.11 142.99 35.92 Favored 'General case' 1 N--CA 1.545 4.287 0 C-N-CA 126.324 1.849 . . . . 0.0 112.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.95 135.15 50.49 Favored 'General case' 1 N--CA 1.539 4.002 0 C-N-CA 125.805 1.642 . . . . 0.0 113.891 -178.197 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.303 11.9 pt-20 -107.62 111.22 23.34 Favored 'General case' 0 C--N 1.426 3.898 0 C-N-CA 126.103 1.761 . . . . 0.0 112.571 174.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.2 mt -112.48 141.84 26.77 Favored 'Isoleucine or valine' 2 N--CA 1.554 4.758 0 C-N-CA 125.021 1.329 . . . . 0.0 108.896 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.513 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.7 m -120.49 123.91 44.11 Favored 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 125.82 1.648 . . . . 0.0 109.021 175.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.5 141.55 49.09 Favored 'General case' 0 C--N 1.408 3.113 0 C-N-CA 127.602 2.361 . . . . 0.0 112.525 178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -100.91 127.25 47.47 Favored 'General case' 1 N--CA 1.543 4.203 0 C-N-CA 126.596 1.958 . . . . 0.0 107.397 172.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -50.24 106.87 0.13 Allowed 'General case' 2 N--CA 1.566 5.346 0 C-N-CA 129.058 2.943 . . . . 0.0 113.683 -175.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.36 168.81 54.85 Favored Glycine 2 N--CA 1.538 5.476 0 N-CA-C 117.755 1.862 . . . . 0.0 117.755 -176.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.282 7.8 p30 -76.7 -26.81 55.13 Favored 'General case' 1 N--CA 1.561 5.113 0 C-N-CA 127.467 2.307 . . . . 0.0 115.958 -179.484 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -97.93 -21.18 17.01 Favored 'General case' 1 C--N 1.43 4.078 0 C-N-CA 126.8 2.04 . . . . 0.0 114.949 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.16 39.52 1.25 Allowed Glycine 1 C--N 1.459 7.383 0 C-N-CA 124.585 1.088 . . . . 0.0 112.562 -178.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.541 8.1 mt 74.49 -29.79 0.2 Allowed 'General case' 2 N--CA 1.555 4.803 0 C-N-CA 130.911 3.684 . . . . 0.0 118.987 176.847 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.79 30.1 6.61 Favored Glycine 2 C--N 1.413 4.848 0 N-CA-C 117.156 1.622 . . . . 0.0 117.156 174.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.6 p90 -156.18 164.11 38.77 Favored 'General case' 1 C--N 1.441 4.557 0 C-N-CA 127.781 2.433 . . . . 0.0 109.896 176.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.608 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 61.2 m -133.8 144.03 48.74 Favored 'General case' 1 C--N 1.441 4.586 0 C-N-CA 125.447 1.499 . . . . 0.0 111.201 171.742 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.525 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.616 2.2 pp -118.36 131.83 69.98 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.419 0 N-CA-C 120.205 3.409 . . . . 0.0 120.205 -173.609 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.98 118.86 37.67 Favored 'General case' 1 C--N 1.455 5.171 0 C-N-CA 126.207 1.803 . . . . 0.0 110.989 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -170.56 157.1 28.05 Favored Glycine 0 C--N 1.391 3.595 0 O-C-N 124.807 1.317 . . . . 0.0 114.743 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.66 145.54 5.52 Favored Glycine 1 C--N 1.402 4.202 0 N-CA-C 118.068 1.987 . . . . 0.0 118.068 -174.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.252 11.6 p -102.78 -33.82 9.24 Favored 'General case' 1 N--CA 1.559 5.016 0 C-N-CA 126.073 1.749 . . . . 0.0 112.625 164.716 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -106.41 -34.06 7.54 Favored 'General case' 1 C--N 1.437 4.379 0 C-N-CA 125.801 1.64 . . . . 0.0 113.301 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -100.76 119.1 59.37 Favored Pre-proline 2 CA--C 1.681 6.009 0 C-N-CA 127.217 2.207 . . . . 0.0 110.928 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -67.06 159.79 50.36 Favored 'Trans proline' 3 C--N 1.546 10.927 0 C-N-CA 123.985 3.123 . . . . 0.0 117.532 176.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -113.9 -50.71 2.82 Favored 'General case' 1 CA--C 1.631 4.069 0 C-N-CA 128.228 2.611 . . . . 0.0 112.431 173.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.554 ' HA ' HG12 ' B' ' 1' ' ' VAL 0.368 2.7 pp -130.22 -52.27 1.04 Allowed 'Isoleucine or valine' 1 N--CA 1.573 5.688 0 C-N-CA 125.736 1.614 . . . . 0.0 114.956 -165.055 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -157.99 32.13 0.51 Allowed Glycine 0 N--CA 1.502 3.085 0 C-N-CA 128.299 2.857 . . . . 0.0 112.591 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.402 13.3 t70 78.19 71.67 0.05 OUTLIER 'General case' 2 N--CA 1.568 5.462 0 C-N-CA 130.648 3.579 . . . . 0.0 110.241 -176.42 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -90.93 124.54 61.67 Favored Pre-proline 1 CA--C 1.673 5.677 0 CA-C-N 112.327 -2.215 . . . . 0.0 113.778 -176.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -72.37 -26.45 17.22 Favored 'Trans proline' 3 C--N 1.554 11.346 0 C-N-CA 124.231 3.288 . . . . 0.0 117.64 175.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.3 p -91.47 148.0 22.62 Favored 'General case' 2 C--N 1.441 4.584 0 C-N-CA 127.064 2.145 . . . . 0.0 113.974 -178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.267 0.8 OUTLIER -95.37 128.33 46.64 Favored 'Isoleucine or valine' 3 N--CA 1.549 4.518 0 C-N-CA 125.654 1.582 . . . . 0.0 109.985 -176.285 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -130.66 157.19 43.43 Favored 'General case' 2 N--CA 1.548 4.437 0 C-N-CA 127.539 2.336 . . . . 0.0 111.416 -176.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.24 141.11 14.76 Favored 'Isoleucine or valine' 1 C--N 1.461 5.449 0 C-N-CA 126.02 1.728 . . . . 0.0 109.199 171.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.343 1.3 p -148.58 -21.31 0.32 Allowed 'General case' 1 N--CA 1.55 4.567 0 C-N-CA 127.803 2.441 . . . . 0.0 113.765 -175.709 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.608 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 9.0 tmtm? -128.9 127.41 41.72 Favored 'General case' 1 C--N 1.481 6.324 0 C-N-CA 123.367 0.667 . . . . 0.0 110.76 176.216 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.615 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.277 45.8 mm -123.56 132.46 71.33 Favored 'Isoleucine or valine' 0 C--N 1.415 3.438 0 C-N-CA 126.916 2.087 . . . . 0.0 109.145 174.002 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.282 3.2 mp -85.77 129.29 55.2 Favored Pre-proline 1 CA--C 1.679 5.941 0 C-N-CA 126.479 1.912 . . . . 0.0 109.943 172.021 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.96 -19.72 63.98 Favored 'Trans proline' 3 C--N 1.535 10.384 0 C-N-CA 124.192 3.261 . . . . 0.0 117.88 -179.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.49 37.85 2.05 Favored Glycine 1 C--N 1.428 5.683 0 CA-C-O 117.822 -1.543 . . . . 0.0 116.45 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.16 -178.01 40.35 Favored Glycine 3 C--N 1.444 6.575 0 C-N-CA 124.947 1.26 . . . . 0.0 116.045 173.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.98 -37.5 29.19 Favored 'General case' 0 N--CA 1.539 3.997 0 C-N-CA 128.536 2.735 . . . . 0.0 115.688 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.35 -26.65 35.39 Favored 'General case' 2 C--N 1.445 4.722 0 C-N-CA 127.644 2.378 . . . . 0.0 115.395 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.3 -42.4 20.66 Favored 'General case' 1 C--N 1.452 5.026 0 C-N-CA 127.38 2.272 . . . . 0.0 113.339 177.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -91.05 -57.89 2.65 Favored 'General case' 1 C--N 1.45 4.944 0 C-N-CA 127.391 2.277 . . . . 0.0 115.021 178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -90.82 -34.14 15.41 Favored 'General case' 1 C--N 1.46 5.394 0 N-CA-C 117.713 2.486 . . . . 0.0 117.713 -172.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.07 -43.64 7.03 Favored Glycine 2 C--N 1.44 6.345 0 N-CA-C 117.534 1.774 . . . . 0.0 117.534 -174.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.548 24.7 mmm180 88.31 52.33 0.01 OUTLIER 'General case' 2 N--CA 1.57 5.525 0 C-N-CA 130.777 3.631 . . . . 0.0 116.433 179.646 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 tp -111.19 130.26 55.69 Favored 'General case' 0 C--N 1.418 3.548 0 C-N-CA 127.699 2.399 . . . . 0.0 111.568 171.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.45 156.43 21.66 Favored 'General case' 0 N--CA 1.524 3.273 0 C-N-CA 127.934 2.494 . . . . 0.0 110.305 169.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.4 p -56.18 -26.89 22.68 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.164 0 C-N-CA 129.042 2.937 . . . . 0.0 115.616 178.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -91.67 9.08 33.87 Favored 'General case' 1 CA--C 1.673 5.711 0 C-N-CA 129.104 2.962 . . . . 0.0 112.149 178.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.23 -36.19 18.1 Favored 'General case' 2 C--N 1.488 6.617 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 179.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.265 68.8 m 44.84 119.15 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.405 0 C-N-CA 129.734 3.214 . . . . 0.0 117.113 176.973 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.464 HG21 HG13 ' A' ' 64' ' ' VAL . 10.2 mt -83.68 128.32 38.92 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.183 0 C-N-CA 125.185 1.394 . . . . 0.0 110.542 -175.459 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.265 1.5 pt? -94.66 -46.03 7.11 Favored 'General case' 0 C--N 1.424 3.832 0 O-C-N 125.163 1.539 . . . . 0.0 111.996 169.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -131.04 132.9 45.24 Favored 'General case' 2 C--N 1.449 4.924 0 O-C-N 125.049 1.468 . . . . 0.0 113.463 -176.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.464 HG13 HG21 ' A' ' 61' ' ' ILE 0.466 0.0 OUTLIER -118.7 137.13 53.66 Favored 'Isoleucine or valine' 1 N--CA 1.554 4.768 0 C-N-CA 124.474 1.11 . . . . 0.0 112.825 176.29 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.277 4.4 m-20 74.49 -68.55 0.21 Allowed 'General case' 2 N--CA 1.58 6.073 0 C-N-CA 128.501 2.72 . . . . 0.0 112.428 -177.438 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.265 10.4 pt-20 -170.29 6.02 0.02 OUTLIER 'General case' 2 CA--C 1.643 4.551 1 C-N-CA 134.168 4.987 . . . . 0.0 108.941 174.087 . . . . . . . . 4 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.371 33.6 m -99.9 154.48 4.31 Favored 'Isoleucine or valine' 1 C--N 1.452 5.038 0 C-N-CA 127.845 2.458 . . . . 0.0 115.745 -169.015 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.388 4.2 p-10 -90.54 93.44 9.29 Favored 'General case' 0 C--N 1.419 3.59 0 C-N-CA 128.386 2.674 . . . . 0.0 112.542 -177.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG22 HG21 ' A' ' 72' ' ' VAL 0.311 0.5 OUTLIER -93.59 -8.87 9.86 Favored 'Isoleucine or valine' 0 CA--C 1.611 3.319 0 CA-C-N 111.507 -2.588 . . . . 0.0 113.332 -179.61 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -56.89 -17.95 11.38 Favored 'General case' 2 N--CA 1.57 5.569 0 C-N-CA 128.041 2.536 . . . . 0.0 114.575 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -152.77 80.03 1.21 Allowed 'General case' 1 C--N 1.46 5.376 0 C-N-CA 128.817 2.847 . . . . 0.0 109.452 177.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.447 HG21 HG22 ' A' ' 69' ' ' VAL . 33.5 m -146.81 165.5 7.31 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.652 0 C-N-CA 127.499 2.32 . . . . 0.0 110.479 179.313 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.7 p -76.98 163.72 26.44 Favored 'General case' 1 N--CA 1.57 5.569 0 C-N-CA 126.338 1.855 . . . . 0.0 111.444 165.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.268 12.1 p80 -50.99 -53.78 30.22 Favored 'General case' 2 N--CA 1.598 6.934 0 C-N-CA 126.224 1.81 . . . . 0.0 114.318 177.055 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.4 t -62.38 -31.95 72.69 Favored 'General case' 3 N--CA 1.554 4.753 0 C-N-CA 126.88 2.072 . . . . 0.0 112.923 178.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.36 -22.75 61.1 Favored 'General case' 1 C--N 1.452 5.034 0 C-N-CA 128.395 2.678 . . . . 0.0 113.955 175.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.01 -32.26 15.99 Favored 'General case' 1 C--N 1.465 5.591 0 C-N-CA 126.335 1.854 . . . . 0.0 112.799 173.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.83 -41.06 69.85 Favored 'Isoleucine or valine' 3 N--CA 1.586 6.347 0 C-N-CA 127.409 2.284 . . . . 0.0 111.371 175.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 41.9 mt-10 -65.3 -16.47 63.61 Favored 'General case' 1 N--CA 1.595 6.812 0 C-N-CA 128.313 2.645 . . . . 0.0 115.044 176.62 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.02 -29.34 49.44 Favored 'General case' 0 CA--C 1.624 3.808 0 C-N-CA 126.852 2.061 . . . . 0.0 112.273 166.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.513 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.266 1.4 mt -92.95 -35.27 13.4 Favored 'General case' 2 C--N 1.464 5.564 0 N-CA-C 116.593 2.072 . . . . 0.0 116.593 178.754 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -85.52 -35.63 21.02 Favored 'General case' 1 N--CA 1.543 4.184 0 C-N-CA 127.373 2.269 . . . . 0.0 114.493 178.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.28 39.3 mt-10 -88.96 -14.12 37.35 Favored 'General case' 2 N--CA 1.585 6.291 0 N-CA-C 119.683 3.216 . . . . 0.0 119.683 -176.501 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.17 -25.58 67.84 Favored 'General case' 3 N--CA 1.592 6.646 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 175.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 105.21 -34.67 5.6 Favored Glycine 1 C--N 1.422 5.336 0 N-CA-C 119.566 2.586 . . . . 0.0 119.566 165.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.4 m -168.28 -33.78 0.02 OUTLIER 'General case' 1 N--CA 1.554 4.736 0 C-N-CA 128.648 2.779 . . . . 0.0 112.482 -171.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.272 23.9 mm -124.92 110.7 25.53 Favored 'Isoleucine or valine' 1 C--N 1.441 4.561 0 C-N-CA 125.828 1.651 . . . . 0.0 109.143 -173.093 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.513 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.275 0.0 OUTLIER -119.56 118.15 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.527 3.402 0 O-C-N 126.133 2.146 . . . . 0.0 113.09 179.594 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.513 ' HB3' HG23 ' A' ' 11' ' ' THR 0.428 36.3 ptt180 -111.82 105.12 13.51 Favored 'General case' 1 N--CA 1.553 4.698 0 C-N-CA 125.943 1.697 . . . . 0.0 115.227 -177.862 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -94.02 138.45 32.1 Favored 'General case' 0 N--CA 1.527 3.384 0 C-N-CA 128.215 2.606 . . . . 0.0 113.95 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -117.52 112.66 20.9 Favored 'General case' 1 C--O 1.309 4.186 0 C-N-CA 126.685 1.994 . . . . 0.0 110.867 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 33.6 m -106.74 159.91 6.34 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.139 0 O-C-N 126.864 2.602 . . . . 0.0 115.491 -175.014 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.318 3.8 ppp? -125.38 116.93 22.66 Favored 'General case' 1 N--CA 1.564 5.249 0 C-N-CA 127.996 2.518 . . . . 0.0 114.121 -176.64 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -116.96 141.15 48.61 Favored 'General case' 0 N--CA 1.532 3.627 0 C-N-CA 127.928 2.491 . . . . 0.0 110.581 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -87.09 142.01 28.23 Favored 'General case' 0 CA--C 1.629 3.996 0 C-N-CA 126.793 2.037 . . . . 0.0 111.488 177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.306 20.5 pttp -56.28 119.16 25.68 Favored Pre-proline 2 CA--C 1.676 5.819 0 C-N-CA 128.748 2.819 . . . . 0.0 117.775 -176.919 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -77.61 151.41 28.69 Favored 'Trans proline' 3 C--N 1.549 11.091 0 C-N-CA 123.798 2.999 . . . . 0.0 116.533 175.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.88 138.61 37.84 Favored 'Trans proline' 3 C--N 1.553 11.297 0 C-N-CA 123.771 2.98 . . . . 0.0 116.524 176.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.432 4.175 0 C-N-CA 126.471 1.908 . . . . 0.0 112.917 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.554 HG12 ' HA ' ' A' ' 32' ' ' ILE 0.487 6.1 m . . . . . 0 N--CA 1.534 3.747 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.418 12.6 m -95.97 -45.31 13.09 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.633 0 C-N-CA 126.713 2.005 . . . . 0.0 115.939 -176.941 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.3 m -146.72 125.42 12.57 Favored 'General case' 1 C--N 1.447 4.806 0 C-N-CA 125.868 1.667 . . . . 0.0 112.329 -175.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.282 3.9 tt0 -137.46 106.83 6.09 Favored 'General case' 1 C--N 1.436 4.364 0 CA-C-O 122.362 1.077 . . . . 0.0 113.02 173.524 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -115.77 77.22 1.07 Allowed 'General case' 0 C--O 1.29 3.223 0 CA-C-N 111.824 -2.444 . . . . 0.0 106.084 163.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.353 0.4 OUTLIER -83.54 -21.77 8.63 Favored 'Isoleucine or valine' 0 C--N 1.427 3.941 0 CA-C-N 112.377 -2.192 . . . . 0.0 115.611 -170.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 67.4 m -61.31 79.85 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.81 0 C-N-CA 127.036 2.135 . . . . 0.0 114.294 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.525 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 67.5 m -134.74 -168.51 2.17 Favored 'General case' 0 CA--C 1.627 3.925 0 C-N-CA 129.641 3.176 . . . . 0.0 110.828 -171.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 1 C--N 1.446 4.773 0 C-N-CA 125.833 1.653 . . . . 0.0 107.201 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.45 0 CA-C-O 119.462 -0.632 . . . . 0.0 112.759 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.76 125.46 51.95 Favored 'General case' 0 C--N 1.426 3.892 0 C-N-CA 126.433 1.893 . . . . 0.0 113.097 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.371 26.1 ptt? -111.5 5.67 19.68 Favored 'General case' 2 N--CA 1.569 5.481 0 C-N-CA 126.5 1.92 . . . . 0.0 115.565 178.458 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.304 10.1 pt-20 -120.48 159.53 24.97 Favored 'General case' 0 N--CA 1.536 3.856 0 C-N-CA 128.754 2.822 . . . . 0.0 114.454 -177.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.326 26.7 ptt? -72.93 162.59 29.31 Favored 'General case' 3 N--CA 1.552 4.663 0 C-N-CA 127.351 2.261 . . . . 0.0 114.541 178.216 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.372 9.7 pt-20 -120.05 124.13 45.12 Favored 'General case' 1 N--CA 1.546 4.346 0 C-N-CA 125.86 1.664 . . . . 0.0 114.229 -171.266 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -103.54 141.82 35.36 Favored 'General case' 1 N--CA 1.542 4.16 0 C-N-CA 126.63 1.972 . . . . 0.0 112.554 -178.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -128.19 130.96 48.82 Favored 'General case' 2 N--CA 1.547 4.381 0 O-C-N 124.531 1.144 . . . . 0.0 111.798 -175.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.296 11.5 pt-20 -103.64 110.7 22.87 Favored 'General case' 0 C--N 1.426 3.902 0 C-N-CA 126.302 1.841 . . . . 0.0 112.789 174.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.1 mt -111.44 145.99 16.96 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.207 0 C-N-CA 124.655 1.182 . . . . 0.0 110.589 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.23 126.54 51.77 Favored 'General case' 2 N--CA 1.551 4.616 0 C-N-CA 127.052 2.141 . . . . 0.0 113.955 173.249 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -126.55 164.76 20.48 Favored 'General case' 0 N--CA 1.539 4.0 0 C-N-CA 127.436 2.294 . . . . 0.0 113.269 174.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.72 139.54 32.63 Favored 'General case' 2 C--N 1.441 4.556 0 C-N-CA 126.682 1.993 . . . . 0.0 110.715 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.0 113.09 18.98 Favored 'General case' 2 N--CA 1.54 4.061 0 C-N-CA 128.22 2.608 . . . . 0.0 115.219 -171.2 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.25 -71.19 1.24 Allowed Glycine 2 N--CA 1.557 6.752 0 N-CA-C 118.898 2.319 . . . . 0.0 118.898 161.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.299 3.6 p-10 -61.39 -20.17 62.73 Favored 'General case' 2 N--CA 1.57 5.533 0 C-N-CA 128.467 2.707 . . . . 0.0 116.666 179.852 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.3 m -89.99 -22.69 21.79 Favored 'General case' 1 C--N 1.438 4.418 0 C-N-CA 126.379 1.871 . . . . 0.0 113.809 174.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.11 62.63 0.64 Allowed Glycine 1 C--N 1.478 8.454 0 N-CA-C 116.625 1.41 . . . . 0.0 116.625 169.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.97 115.27 4.73 Favored 'General case' 2 N--CA 1.555 4.81 0 C-N-CA 126.238 1.815 . . . . 0.0 114.055 178.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -110.51 63.17 0.28 Allowed Glycine 1 C--N 1.417 5.058 0 C-N-CA 126.263 1.887 . . . . 0.0 115.909 -169.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -158.51 167.29 30.03 Favored 'General case' 0 CA--C 1.625 3.836 0 C-N-CA 129.185 2.994 . . . . 0.0 108.771 169.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.63 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.6 m -133.7 145.81 50.23 Favored 'General case' 1 C--N 1.438 4.424 0 C-N-CA 124.357 1.063 . . . . 0.0 110.704 166.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.526 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.538 1.9 pp -119.12 126.2 75.15 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.214 0 N-CA-C 119.476 3.139 . . . . 0.0 119.476 -175.437 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.465 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -106.36 118.4 36.55 Favored 'General case' 1 C--N 1.437 4.388 0 CA-C-N 112.664 -2.062 . . . . 0.0 111.1 -177.062 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.95 162.67 36.46 Favored Glycine 0 N--CA 1.516 3.983 0 C-N-CA 125.103 1.335 . . . . 0.0 114.295 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.17 139.76 3.27 Favored Glycine 2 C--N 1.417 5.079 0 N-CA-C 118.836 2.294 . . . . 0.0 118.836 -172.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.269 7.0 p -101.47 -40.12 7.21 Favored 'General case' 1 N--CA 1.56 5.043 0 C-N-CA 125.958 1.703 . . . . 0.0 113.286 164.554 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -104.39 -34.05 8.41 Favored 'General case' 2 C--N 1.433 4.204 0 C-N-CA 126.001 1.72 . . . . 0.0 113.264 177.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -101.01 118.25 60.79 Favored Pre-proline 2 C--N 1.446 4.761 0 C-N-CA 126.891 2.076 . . . . 0.0 112.67 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HB3' ' H ' ' A' ' 34' ' ' ASP . 3.2 Cg_exo -73.96 152.23 46.09 Favored 'Trans proline' 3 C--N 1.543 10.791 0 C-N-CA 123.449 2.766 . . . . 0.0 117.369 176.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -96.18 -63.96 1.1 Allowed 'General case' 0 C--N 1.426 3.901 0 C-N-CA 126.57 1.948 . . . . 0.0 111.218 169.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.304 3.0 tp -116.57 2.86 7.65 Favored 'Isoleucine or valine' 1 CA--C 1.663 5.305 0 C-N-CA 127.183 2.193 . . . . 0.0 113.432 -165.379 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.08 65.58 0.52 Allowed Glycine 1 C--N 1.398 4.011 0 C-N-CA 127.559 2.504 . . . . 0.0 113.193 -174.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.52 ' H ' ' HB3' ' A' ' 30' ' ' PRO 0.468 7.9 m-20 69.62 75.84 0.22 Allowed 'General case' 2 N--CA 1.561 5.076 0 C-N-CA 130.475 3.51 . . . . 0.0 115.463 -178.027 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -106.3 119.93 50.35 Favored Pre-proline 1 CA--C 1.676 5.815 0 CA-C-N 112.45 -2.159 . . . . 0.0 111.266 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -75.79 -26.39 9.75 Favored 'Trans proline' 3 C--N 1.548 11.063 0 C-N-CA 123.962 3.108 . . . . 0.0 118.552 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.5 m -92.39 151.39 20.28 Favored 'General case' 2 N--CA 1.554 4.765 0 C-N-CA 126.959 2.103 . . . . 0.0 114.475 -175.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.264 2.2 mm -96.09 111.64 26.73 Favored 'Isoleucine or valine' 3 C--N 1.451 4.98 0 C-N-CA 126.083 1.753 . . . . 0.0 108.477 -179.858 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -122.28 149.97 42.98 Favored 'General case' 1 N--CA 1.539 4.005 0 C-N-CA 130.029 3.332 . . . . 0.0 111.801 -170.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.35 141.7 13.94 Favored 'Isoleucine or valine' 2 C--N 1.451 5.02 0 C-N-CA 125.486 1.514 . . . . 0.0 110.17 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.312 3.2 p -145.66 -26.62 0.46 Allowed 'General case' 1 N--CA 1.556 4.834 0 C-N-CA 127.668 2.387 . . . . 0.0 113.573 -177.835 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.63 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.278 51.2 tptt -121.83 127.63 50.77 Favored 'General case' 1 C--N 1.465 5.591 0 C-N-CA 124.459 1.103 . . . . 0.0 112.636 177.074 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.619 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.269 42.1 mm -127.41 124.26 63.46 Favored 'Isoleucine or valine' 0 CA--C 1.61 3.285 0 C-N-CA 127.522 2.329 . . . . 0.0 108.102 173.143 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.297 3.7 mp -78.17 131.2 69.98 Favored Pre-proline 2 CA--C 1.682 6.02 0 C-N-CA 126.505 1.922 . . . . 0.0 110.884 171.834 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.93 -22.4 55.86 Favored 'Trans proline' 3 C--N 1.535 10.371 0 C-N-CA 124.231 3.288 . . . . 0.0 117.427 179.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.82 43.0 1.33 Allowed Glycine 1 C--N 1.43 5.757 0 CA-C-O 118.307 -1.274 . . . . 0.0 115.815 178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -98.84 -177.97 32.14 Favored Glycine 2 C--N 1.438 6.248 0 C-N-CA 125.362 1.458 . . . . 0.0 115.216 173.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.92 -37.33 29.78 Favored 'General case' 0 N--CA 1.536 3.835 0 C-N-CA 127.887 2.475 . . . . 0.0 115.689 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.65 -22.86 40.13 Favored 'General case' 2 N--CA 1.556 4.829 0 C-N-CA 126.547 1.939 . . . . 0.0 115.739 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.28 -42.59 14.49 Favored 'General case' 1 C--N 1.446 4.783 0 C-N-CA 127.26 2.224 . . . . 0.0 113.401 177.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -90.94 -57.02 2.95 Favored 'General case' 1 C--N 1.449 4.934 0 C-N-CA 127.164 2.186 . . . . 0.0 114.812 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.04 -33.0 15.69 Favored 'General case' 1 C--N 1.46 5.376 0 N-CA-C 117.672 2.471 . . . . 0.0 117.672 -173.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.03 -47.0 5.44 Favored Glycine 2 C--N 1.441 6.372 0 N-CA-C 117.522 1.769 . . . . 0.0 117.522 -173.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.584 98.7 mtt180 88.24 52.57 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.823 0 C-N-CA 130.438 3.495 . . . . 0.0 116.76 -179.192 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 tp -111.38 130.49 55.68 Favored 'General case' 0 C--N 1.416 3.471 0 C-N-CA 127.662 2.385 . . . . 0.0 111.494 171.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.41 154.64 24.34 Favored 'General case' 0 N--CA 1.526 3.339 0 C-N-CA 127.724 2.41 . . . . 0.0 110.344 169.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.9 p -54.81 -27.6 18.78 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.424 0 C-N-CA 129.009 2.924 . . . . 0.0 115.896 178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.291 28.5 p30 -91.51 8.56 35.91 Favored 'General case' 1 CA--C 1.654 4.972 0 C-N-CA 128.836 2.855 . . . . 0.0 113.942 178.133 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.07 -34.05 22.33 Favored 'General case' 2 C--N 1.491 6.733 0 N-CA-C 115.672 1.73 . . . . 0.0 115.672 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 m 45.49 118.41 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.397 0 C-N-CA 129.047 2.939 . . . . 0.0 116.389 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.516 HG21 HG13 ' A' ' 64' ' ' VAL . 6.0 mt -84.81 127.63 39.69 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.783 0 C-N-CA 124.697 1.199 . . . . 0.0 110.307 -175.22 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.258 1.4 pt? -94.05 -42.9 8.77 Favored 'General case' 1 C--N 1.431 4.138 0 O-C-N 125.139 1.524 . . . . 0.0 112.438 170.477 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -134.44 132.66 39.59 Favored 'General case' 2 C--N 1.448 4.853 0 O-C-N 124.721 1.263 . . . . 0.0 113.831 -177.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.516 HG13 HG21 ' A' ' 61' ' ' ILE 0.512 3.0 m -116.56 136.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.413 3.327 0 C-N-CA 124.97 1.308 . . . . 0.0 113.197 173.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.292 2.0 m120 71.91 -78.04 0.05 Allowed 'General case' 2 N--CA 1.553 4.695 0 C-N-CA 128.912 2.885 . . . . 0.0 112.042 179.389 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -151.71 4.74 0.43 Allowed 'General case' 2 CA--C 1.641 4.48 1 C-N-CA 132.672 4.389 . . . . 0.0 108.625 170.762 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.346 31.6 m -100.75 156.25 4.3 Favored 'Isoleucine or valine' 1 C--N 1.455 5.182 0 C-N-CA 127.915 2.486 . . . . 0.0 115.372 -168.444 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.403 4.4 p30 -85.3 95.8 9.33 Favored 'General case' 0 C--N 1.413 3.35 0 C-N-CA 127.58 2.352 . . . . 0.0 114.714 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.556 3.6 m -93.6 33.07 0.15 Allowed 'Isoleucine or valine' 1 N--CA 1.557 4.911 0 CA-C-O 123.504 1.621 . . . . 0.0 114.482 170.079 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -82.56 -35.71 26.94 Favored 'General case' 0 N--CA 1.532 3.672 0 CA-C-N 111.791 -2.459 . . . . 0.0 112.9 170.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . 0.308 0.1 OUTLIER -159.03 91.52 1.04 Allowed 'General case' 1 C--N 1.492 6.78 0 C-N-CA 128.003 2.521 . . . . 0.0 110.815 179.818 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.279 27.8 m -142.46 166.02 16.24 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.328 0 C-N-CA 126.908 2.083 . . . . 0.0 109.859 175.543 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -76.85 158.07 31.04 Favored 'General case' 1 N--CA 1.56 5.026 0 C-N-CA 125.833 1.653 . . . . 0.0 111.77 167.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -48.98 -54.64 14.74 Favored 'General case' 3 N--CA 1.581 6.078 0 C-N-CA 128.434 2.694 . . . . 0.0 112.392 177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -61.58 -34.67 76.0 Favored 'General case' 2 C--N 1.456 5.233 0 C-N-CA 126.751 2.02 . . . . 0.0 113.427 176.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.79 -22.65 62.34 Favored 'General case' 2 C--N 1.46 5.372 0 C-N-CA 128.106 2.562 . . . . 0.0 114.424 174.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.29 -30.55 17.42 Favored 'General case' 1 C--N 1.461 5.426 0 C-N-CA 126.553 1.941 . . . . 0.0 112.926 175.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.99 -41.71 27.58 Favored 'Isoleucine or valine' 3 N--CA 1.583 6.19 0 C-N-CA 127.204 2.201 . . . . 0.0 110.695 174.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -62.93 -24.0 67.65 Favored 'General case' 2 N--CA 1.598 6.95 0 C-N-CA 128.585 2.754 . . . . 0.0 115.615 178.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.55 -29.31 63.45 Favored 'General case' 1 C--N 1.43 4.078 0 C-N-CA 126.479 1.911 . . . . 0.0 111.751 168.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . 0.253 12.4 mt -94.37 -25.72 16.84 Favored 'General case' 1 C--N 1.453 5.105 0 C-N-CA 127.868 2.467 . . . . 0.0 116.344 179.81 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -90.28 -36.72 14.54 Favored 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 127.156 2.183 . . . . 0.0 113.586 174.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.267 39.8 mt-10 -90.52 -16.84 28.11 Favored 'General case' 2 N--CA 1.597 6.901 0 N-CA-C 120.048 3.351 . . . . 0.0 120.048 -176.544 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.55 -22.46 13.23 Favored 'General case' 3 N--CA 1.6 7.063 0 N-CA-C 116.379 1.992 . . . . 0.0 116.379 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 111.99 -35.01 4.91 Favored Glycine 1 C--N 1.424 5.43 0 N-CA-C 120.092 2.797 . . . . 0.0 120.092 164.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.6 t -175.25 -30.75 0.01 OUTLIER 'General case' 1 N--CA 1.577 5.881 0 C-N-CA 128.426 2.69 . . . . 0.0 110.935 -175.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.288 36.4 mm -126.44 129.7 71.84 Favored 'Isoleucine or valine' 1 C--N 1.44 4.506 0 C-N-CA 125.641 1.576 . . . . 0.0 109.1 179.34 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.365 22.0 m -123.32 123.59 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.596 0 C-N-CA 127.901 2.48 . . . . 0.0 112.365 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.411 34.0 ptt180 -111.83 124.82 53.16 Favored 'General case' 1 N--CA 1.544 4.245 0 C-N-CA 126.286 1.834 . . . . 0.0 114.884 -179.899 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.11 139.22 48.91 Favored 'General case' 0 N--CA 1.523 3.176 0 C-N-CA 128.095 2.558 . . . . 0.0 113.414 177.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -119.47 111.1 17.7 Favored 'General case' 0 C--O 1.302 3.852 0 C-N-CA 126.801 2.04 . . . . 0.0 110.498 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.256 32.9 m -106.53 160.96 5.88 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.471 0 O-C-N 126.535 2.397 . . . . 0.0 115.008 -174.781 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.338 0.0 OUTLIER -122.16 115.71 22.9 Favored 'General case' 1 N--CA 1.561 5.1 0 C-N-CA 127.272 2.229 . . . . 0.0 113.306 -177.926 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -116.76 151.46 36.39 Favored 'General case' 0 N--CA 1.535 3.789 0 C-N-CA 127.601 2.361 . . . . 0.0 111.652 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -85.4 138.95 31.93 Favored 'General case' 0 CA--C 1.627 3.93 0 C-N-CA 128.203 2.601 . . . . 0.0 111.67 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.301 20.4 pttp -55.78 131.78 72.6 Favored Pre-proline 2 CA--C 1.677 5.848 0 C-N-CA 128.988 2.915 . . . . 0.0 117.214 -179.806 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.53 -39.82 61.98 Favored 'Trans proline' 3 C--N 1.549 11.12 0 C-N-CA 124.703 3.602 . . . . 0.0 119.75 -179.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -63.04 136.33 55.94 Favored 'Trans proline' 3 C--N 1.567 12.067 0 C-N-CA 123.796 2.997 . . . . 0.0 117.526 -178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.431 4.132 0 C-N-CA 126.827 2.051 . . . . 0.0 112.834 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.353 6.2 p . . . . . 0 CA--C 1.615 3.457 0 CA-C-O 120.753 0.311 . . . . 0.0 111.47 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.318 7.7 p -101.93 -12.85 8.61 Favored 'Isoleucine or valine' 1 CA--C 1.666 5.439 0 C-N-CA 126.898 2.079 . . . . 0.0 115.572 -172.457 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -119.81 -17.85 8.43 Favored 'General case' 2 N--CA 1.561 5.113 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -171.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -115.02 155.49 26.88 Favored 'General case' 0 CA--C 1.628 3.977 0 C-N-CA 128.099 2.559 . . . . 0.0 112.938 -171.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.291 0.0 OUTLIER -103.24 -41.34 6.08 Favored 'General case' 0 C--N 1.427 3.953 0 C-N-CA 127.163 2.185 . . . . 0.0 113.112 172.552 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 1.602 ' CB ' ' CA ' ' B' ' 6' ' ' ILE 0.62 10.6 tp 56.99 73.11 0.1 OUTLIER 'Isoleucine or valine' 3 N--CA 1.579 6.004 0 C-N-CA 129.848 3.259 . . . . 0.0 115.963 178.758 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 73.3 m -126.79 22.58 6.81 Favored 'General case' 2 N--CA 1.56 5.068 0 C-N-CA 127.628 2.371 . . . . 0.0 113.392 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.526 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 67.9 m -77.42 -167.7 0.99 Allowed 'General case' 3 N--CA 1.56 5.074 0 C-N-CA 127.84 2.456 . . . . 0.0 115.077 -175.03 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 2 N--CA 1.553 4.709 0 C-N-CA 126.637 1.975 . . . . 0.0 109.184 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.474 0 CA-C-O 119.39 -0.672 . . . . 0.0 112.821 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.64 153.86 21.76 Favored 'General case' 0 N--CA 1.539 3.989 0 C-N-CA 126.491 1.916 . . . . 0.0 113.744 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.547 2.1 mpt? 81.6 120.07 0.05 OUTLIER 'General case' 2 C--N 1.452 5.036 0 C-N-CA 130.025 3.33 . . . . 0.0 116.909 179.343 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.339 9.6 pt-20 -120.26 146.5 46.01 Favored 'General case' 0 N--CA 1.539 3.993 0 C-N-CA 128.202 2.601 . . . . 0.0 115.024 178.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.29 24.8 ptm -72.05 160.75 31.96 Favored 'General case' 2 N--CA 1.56 5.04 0 C-N-CA 127.996 2.518 . . . . 0.0 114.779 179.323 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.362 11.1 pt-20 -117.39 121.12 40.22 Favored 'General case' 1 N--CA 1.551 4.618 0 C-N-CA 125.704 1.602 . . . . 0.0 114.453 -172.106 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -108.13 145.22 34.44 Favored 'General case' 1 N--CA 1.55 4.541 0 C-N-CA 126.242 1.817 . . . . 0.0 113.12 -177.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -130.7 135.68 48.05 Favored 'General case' 2 C--N 1.439 4.493 0 C-N-CA 124.937 1.295 . . . . 0.0 111.078 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.283 11.7 pt-20 -107.2 113.96 27.71 Favored 'General case' 0 C--N 1.426 3.902 0 C-N-CA 126.442 1.897 . . . . 0.0 112.659 176.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.2 mt -113.06 141.75 27.68 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.13 0 C-N-CA 124.673 1.189 . . . . 0.0 110.286 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.262 0.6 OUTLIER -113.18 123.03 49.26 Favored 'General case' 1 N--CA 1.54 4.04 0 C-N-CA 126.738 2.015 . . . . 0.0 113.09 170.703 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.2 mt -121.45 149.55 42.87 Favored 'General case' 0 N--CA 1.523 3.206 0 C-N-CA 127.601 2.36 . . . . 0.0 112.285 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -99.03 128.43 45.17 Favored 'General case' 0 N--CA 1.537 3.91 0 C-N-CA 126.068 1.747 . . . . 0.0 108.898 173.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.303 2.3 tpm_? -65.35 103.34 0.79 Allowed 'General case' 1 N--CA 1.549 4.505 0 C-N-CA 127.988 2.515 . . . . 0.0 114.816 -176.083 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.56 87.31 0.08 OUTLIER Glycine 2 C--N 1.429 5.728 0 N-CA-C 119.437 2.535 . . . . 0.0 119.437 173.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -90.6 -40.28 12.02 Favored 'General case' 1 N--CA 1.568 5.473 0 C-N-CA 126.258 1.823 . . . . 0.0 110.514 167.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.4 p -120.09 -12.76 9.06 Favored 'General case' 2 CA--C 1.643 4.535 0 C-N-CA 129.167 2.987 . . . . 0.0 111.7 167.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.81 37.6 1.53 Allowed Glycine 1 C--N 1.45 6.889 0 C-N-CA 127.836 2.636 . . . . 0.0 112.601 -175.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.464 3.2 mm? 54.33 135.7 0.0 OUTLIER 'General case' 2 C--N 1.471 5.854 0 C-N-CA 130.084 3.354 . . . . 0.0 117.154 -172.606 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . -95.72 46.92 1.9 Allowed Glycine 1 C--N 1.42 5.244 0 C-N-CA 125.922 1.725 . . . . 0.0 116.719 -174.795 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -159.91 170.84 20.53 Favored 'General case' 2 C--N 1.458 5.298 0 C-N-CA 127.356 2.262 . . . . 0.0 110.687 172.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.492 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 72.9 m -140.62 142.78 35.0 Favored 'General case' 1 C--N 1.45 4.966 0 C-N-CA 126.165 1.786 . . . . 0.0 110.053 166.591 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.397 0.1 OUTLIER -110.67 132.37 59.27 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.007 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -176.901 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.47 118.1 35.72 Favored 'General case' 1 C--N 1.452 5.042 0 O-C-N 124.898 1.374 . . . . 0.0 110.911 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.59 155.89 26.86 Favored Glycine 0 C--N 1.386 3.318 0 CA-C-N 113.64 -1.618 . . . . 0.0 113.434 -175.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.05 140.54 3.51 Favored Glycine 1 C--N 1.398 4.018 0 N-CA-C 118.352 2.101 . . . . 0.0 118.352 -172.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 9.3 p -100.69 -35.45 9.47 Favored 'General case' 1 N--CA 1.558 4.939 0 C-N-CA 126.196 1.799 . . . . 0.0 113.382 165.973 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -104.0 -36.7 7.65 Favored 'General case' 1 C--N 1.434 4.251 0 C-N-CA 125.608 1.563 . . . . 0.0 113.2 177.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -101.53 114.59 65.64 Favored Pre-proline 2 CA--C 1.678 5.89 0 C-N-CA 127.134 2.174 . . . . 0.0 110.652 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.65 165.9 29.46 Favored 'Trans proline' 3 C--N 1.538 10.533 0 C-N-CA 123.562 2.841 . . . . 0.0 117.136 177.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -121.06 -51.08 2.12 Favored 'General case' 1 C--N 1.43 4.096 0 C-N-CA 126.719 2.008 . . . . 0.0 109.839 166.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.413 0.4 OUTLIER -136.78 98.55 1.72 Allowed 'Isoleucine or valine' 1 C--N 1.443 4.641 0 C-N-CA 128.158 2.583 . . . . 0.0 112.04 -175.557 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.18 24.86 52.82 Favored Glycine 3 N--CA 1.571 7.67 0 C-N-CA 127.616 2.531 . . . . 0.0 119.127 175.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.422 13.0 t70 69.94 68.98 0.23 Allowed 'General case' 3 N--CA 1.565 5.277 0 C-N-CA 130.407 3.483 . . . . 0.0 112.905 -175.176 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -103.71 133.37 20.31 Favored Pre-proline 1 CA--C 1.652 4.893 0 C-N-CA 127.773 2.429 . . . . 0.0 114.498 179.112 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -74.29 -24.24 14.62 Favored 'Trans proline' 3 C--N 1.555 11.396 0 C-N-CA 124.34 3.36 . . . . 0.0 119.611 -177.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.7 m -78.88 143.96 35.41 Favored 'General case' 2 N--CA 1.566 5.33 0 C-N-CA 126.833 2.053 . . . . 0.0 115.469 -173.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.253 0.5 OUTLIER -97.05 125.11 50.15 Favored 'Isoleucine or valine' 2 C--N 1.451 4.978 0 C-N-CA 125.963 1.705 . . . . 0.0 109.535 -178.895 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . 0.314 20.3 p90 -141.91 157.83 44.51 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 128.034 2.533 . . . . 0.0 113.589 -177.483 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -84.06 144.71 9.37 Favored 'Isoleucine or valine' 2 C--N 1.447 4.846 0 C-N-CA 126.96 2.104 . . . . 0.0 111.187 -179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.303 5.9 p -147.61 -29.2 0.34 Allowed 'General case' 1 N--CA 1.549 4.48 0 C-N-CA 128.063 2.545 . . . . 0.0 113.659 -178.386 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.2 tmtm? -122.15 124.89 44.93 Favored 'General case' 1 C--N 1.475 6.033 0 O-C-N 123.644 0.59 . . . . 0.0 111.103 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.625 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 40.3 mm -123.53 128.74 74.74 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.38 0 C-N-CA 127.179 2.192 . . . . 0.0 108.222 173.289 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.305 3.9 mp -80.68 134.42 54.03 Favored Pre-proline 2 CA--C 1.682 6.039 0 C-N-CA 125.72 1.608 . . . . 0.0 111.477 172.756 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -66.37 -23.24 51.5 Favored 'Trans proline' 3 C--N 1.537 10.498 0 C-N-CA 124.22 3.28 . . . . 0.0 117.607 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.41 43.92 1.25 Allowed Glycine 1 C--N 1.43 5.753 0 CA-C-O 118.264 -1.298 . . . . 0.0 115.673 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.443 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -101.75 -177.25 28.27 Favored Glycine 2 C--N 1.434 6.003 0 C-N-CA 125.577 1.561 . . . . 0.0 115.839 175.064 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.42 -35.36 35.25 Favored 'General case' 0 N--CA 1.538 3.965 0 C-N-CA 128.025 2.53 . . . . 0.0 115.814 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.12 -23.4 38.4 Favored 'General case' 2 N--CA 1.555 4.778 0 C-N-CA 126.539 1.936 . . . . 0.0 116.159 178.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.69 -41.32 14.28 Favored 'General case' 1 C--N 1.442 4.589 0 C-N-CA 127.082 2.153 . . . . 0.0 113.639 177.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -90.91 -56.73 3.06 Favored 'General case' 2 C--N 1.449 4.897 0 C-N-CA 126.96 2.104 . . . . 0.0 114.653 177.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -90.93 -33.12 15.72 Favored 'General case' 1 C--N 1.46 5.398 0 N-CA-C 117.635 2.457 . . . . 0.0 117.635 -174.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.48 -48.95 4.33 Favored Glycine 2 C--N 1.441 6.372 0 N-CA-C 117.657 1.823 . . . . 0.0 117.657 -173.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.537 99.2 mtt180 88.01 50.57 0.01 OUTLIER 'General case' 2 N--CA 1.582 6.166 0 C-N-CA 130.425 3.49 . . . . 0.0 116.26 -179.209 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -111.62 127.85 55.87 Favored 'General case' 0 C--N 1.42 3.666 0 C-N-CA 127.647 2.379 . . . . 0.0 111.958 172.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -111.76 160.42 17.33 Favored 'General case' 0 N--CA 1.532 3.631 0 C-N-CA 128.171 2.588 . . . . 0.0 110.59 170.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG13 HG12 ' A' ' 43' ' ' ILE 0.276 2.9 m -52.63 -29.85 14.26 Favored 'Isoleucine or valine' 1 N--CA 1.629 8.494 0 C-N-CA 127.704 2.401 . . . . 0.0 116.07 175.047 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -90.58 7.94 36.65 Favored 'General case' 1 CA--C 1.667 5.454 0 C-N-CA 128.992 2.917 . . . . 0.0 112.098 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.33 -35.93 15.82 Favored 'General case' 2 C--N 1.49 6.674 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m 45.96 118.23 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.704 0 C-N-CA 129.393 3.077 . . . . 0.0 116.394 175.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.591 HG21 HG23 ' A' ' 64' ' ' VAL 0.251 7.7 mt -85.33 131.15 34.92 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.2 0 C-N-CA 124.381 1.072 . . . . 0.0 110.657 -175.68 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -95.86 -45.04 7.13 Favored 'General case' 0 C--N 1.427 3.958 0 O-C-N 125.203 1.565 . . . . 0.0 112.45 168.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -131.09 121.6 25.24 Favored 'General case' 1 C--N 1.453 5.087 0 O-C-N 124.944 1.403 . . . . 0.0 113.432 -175.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.591 HG23 HG21 ' A' ' 61' ' ' ILE 0.381 2.1 p -120.45 129.57 75.41 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.92 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -176.011 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.3 t30 73.2 3.19 4.58 Favored 'General case' 2 N--CA 1.622 8.15 0 C-N-CA 129.005 2.922 . . . . 0.0 111.25 -170.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.409 45.0 mt-10 84.3 15.26 0.24 Allowed 'General case' 3 N--CA 1.573 5.724 0 C-N-CA 131.204 3.802 . . . . 0.0 112.202 -160.882 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 64' ' ' VAL 0.359 4.6 m -92.2 155.87 3.07 Favored 'Isoleucine or valine' 1 C--N 1.474 6.004 0 C-N-CA 126.606 1.963 . . . . 0.0 112.917 -178.42 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.79 99.28 11.99 Favored 'General case' 0 CA--C 1.608 3.192 0 O-C-N 126.029 2.081 . . . . 0.0 111.114 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.502 29.0 m -93.21 -17.33 7.41 Favored 'Isoleucine or valine' 1 N--CA 1.559 4.977 0 CA-C-N 111.644 -2.525 . . . . 0.0 116.843 177.205 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.374 38.6 ptt180 -44.04 -26.18 0.27 Allowed 'General case' 2 N--CA 1.589 6.498 0 N-CA-C 118.68 2.844 . . . . 0.0 118.68 -177.145 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -145.96 78.07 1.51 Allowed 'General case' 1 C--N 1.442 4.614 0 C-N-CA 129.395 3.078 . . . . 0.0 108.864 175.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.549 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.289 17.7 m -142.04 162.65 19.66 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.64 0 C-N-CA 126.729 2.012 . . . . 0.0 110.858 178.327 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.0 p -78.44 164.42 24.78 Favored 'General case' 1 N--CA 1.57 5.54 0 C-N-CA 126.706 2.002 . . . . 0.0 111.489 167.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.253 11.7 p80 -52.99 -51.29 62.11 Favored 'General case' 2 N--CA 1.597 6.898 0 C-N-CA 126.176 1.79 . . . . 0.0 113.869 175.892 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.1 p -56.85 -37.84 71.85 Favored 'General case' 2 N--CA 1.558 4.955 0 C-N-CA 127.321 2.248 . . . . 0.0 114.139 176.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.88 -22.8 62.23 Favored 'General case' 2 C--N 1.446 4.77 0 C-N-CA 128.979 2.912 . . . . 0.0 114.476 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.46 -29.53 17.89 Favored 'General case' 1 C--N 1.459 5.34 0 C-N-CA 127.184 2.194 . . . . 0.0 113.352 174.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -77.46 -40.75 29.05 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.561 0 C-N-CA 127.714 2.406 . . . . 0.0 110.447 173.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -63.08 -21.78 66.41 Favored 'General case' 2 N--CA 1.595 6.799 0 C-N-CA 128.944 2.897 . . . . 0.0 115.774 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.79 -28.2 61.52 Favored 'General case' 0 C--N 1.422 3.744 0 C-N-CA 126.938 2.095 . . . . 0.0 111.44 169.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.448 ' HA ' HG21 ' A' ' 88' ' ' VAL 0.258 15.4 mt -92.53 -38.13 12.11 Favored 'General case' 1 C--N 1.46 5.412 0 C-N-CA 127.521 2.328 . . . . 0.0 115.882 178.54 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -79.36 -35.02 41.51 Favored 'General case' 1 N--CA 1.546 4.361 0 C-N-CA 128.159 2.584 . . . . 0.0 113.264 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.29 40.8 mt-10 -87.28 -23.56 24.64 Favored 'General case' 2 N--CA 1.593 6.68 0 N-CA-C 119.754 3.242 . . . . 0.0 119.754 -177.664 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -23.89 64.06 Favored 'General case' 3 N--CA 1.59 6.556 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 101.35 -35.02 5.18 Favored Glycine 1 C--N 1.425 5.515 0 N-CA-C 120.188 2.835 . . . . 0.0 120.188 166.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.8 t -167.77 -33.12 0.02 OUTLIER 'General case' 1 N--CA 1.553 4.7 0 C-N-CA 127.715 2.406 . . . . 0.0 111.504 -172.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.3 26.4 mm -125.78 116.26 45.6 Favored 'Isoleucine or valine' 2 C--N 1.444 4.682 0 C-N-CA 125.262 1.425 . . . . 0.0 109.534 -175.876 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.448 HG21 ' HA ' ' A' ' 81' ' ' LEU 0.327 0.8 OUTLIER -120.94 125.36 73.93 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.148 0 C-N-CA 128.638 2.775 . . . . 0.0 111.559 -176.191 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.4 30.2 ptt180 -117.68 102.0 8.79 Favored 'General case' 1 N--CA 1.564 5.265 0 C-N-CA 126.637 1.975 . . . . 0.0 115.731 -174.486 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.49 137.39 34.61 Favored 'General case' 0 C--N 1.416 3.492 0 C-N-CA 127.028 2.131 . . . . 0.0 113.947 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -117.45 112.33 20.51 Favored 'General case' 0 C--O 1.305 3.999 0 C-N-CA 126.722 2.009 . . . . 0.0 110.765 177.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.268 35.0 m -106.11 159.66 6.05 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.176 0 O-C-N 126.719 2.512 . . . . 0.0 115.249 -174.434 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.302 26.0 ptt? -125.15 117.15 23.26 Favored 'General case' 1 N--CA 1.563 5.196 0 C-N-CA 127.778 2.431 . . . . 0.0 114.09 -175.349 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -114.92 147.44 39.98 Favored 'General case' 0 CA--C 1.616 3.497 0 C-N-CA 127.91 2.484 . . . . 0.0 108.666 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -81.65 142.53 32.66 Favored 'General case' 1 CA--C 1.635 4.222 0 C-N-CA 127.468 2.307 . . . . 0.0 113.184 -175.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -65.04 130.77 94.98 Favored Pre-proline 2 CA--C 1.672 5.647 0 C-N-CA 129.372 3.069 . . . . 0.0 115.955 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -71.77 128.66 14.46 Favored 'Trans proline' 3 C--N 1.548 11.038 0 C-N-CA 123.575 2.85 . . . . 0.0 116.299 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -70.73 -34.52 11.22 Favored 'Trans proline' 3 C--N 1.547 10.987 0 C-N-CA 123.781 2.987 . . . . 0.0 117.679 177.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.449 4.915 0 C-N-CA 126.482 1.913 . . . . 0.0 112.685 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.449 14.2 m . . . . . 0 N--CA 1.538 3.935 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.267 5.1 m -108.02 2.16 9.76 Favored 'Isoleucine or valine' 2 N--CA 1.548 4.451 0 C-N-CA 128.517 2.727 . . . . 0.0 112.528 176.259 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 74.2 m -128.66 -8.86 5.06 Favored 'General case' 2 C--N 1.443 4.64 0 C-N-CA 126.6 1.96 . . . . 0.0 114.202 -171.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.316 25.9 tt0 -46.66 -96.31 0.0 OUTLIER 'General case' 2 CA--C 1.656 5.036 0 C-N-CA 130.17 3.388 . . . . 0.0 117.921 -168.931 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.341 4.8 tmt_? 50.33 72.13 0.36 Allowed 'General case' 3 C--N 1.479 6.201 0 C-N-CA 128.876 2.871 . . . . 0.0 111.194 -168.694 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.47 15.0 tt -80.89 -84.02 0.06 OUTLIER 'Isoleucine or valine' 2 CA--C 1.643 4.541 0 C-N-CA 126.01 1.724 . . . . 0.0 113.39 -171.126 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.261 68.2 m 48.48 22.33 0.47 Allowed 'General case' 3 N--CA 1.614 7.741 0 C-N-CA 129.104 2.962 . . . . 0.0 117.016 -179.374 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m -82.64 -172.77 4.25 Favored 'General case' 3 CA--C 1.643 4.523 0 C-N-CA 127.951 2.501 . . . . 0.0 114.788 -172.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . 0.262 2.9 t . . . . . 2 N--CA 1.552 4.632 0 C-N-CA 126.786 2.034 . . . . 0.0 109.651 -174.373 . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.575 0 CA-C-O 119.401 -0.666 . . . . 0.0 112.835 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.45 133.99 51.15 Favored 'General case' 0 C--N 1.425 3.86 0 C-N-CA 126.55 1.94 . . . . 0.0 112.913 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.6 mtt -103.22 130.06 50.34 Favored 'General case' 2 N--CA 1.549 4.515 0 C-N-CA 126.184 1.794 . . . . 0.0 113.881 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -120.56 161.48 21.24 Favored 'General case' 1 N--CA 1.547 4.413 0 C-N-CA 127.326 2.25 . . . . 0.0 112.186 -177.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.328 26.5 ptt? -76.74 169.87 17.5 Favored 'General case' 2 CA--C 1.648 4.713 0 C-N-CA 127.762 2.425 . . . . 0.0 115.101 -177.962 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.353 10.3 pt-20 -108.72 113.8 27.06 Favored 'General case' 1 C--N 1.428 4.017 0 C-N-CA 126.687 1.995 . . . . 0.0 113.003 -174.257 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -100.55 142.27 32.26 Favored 'General case' 1 N--CA 1.543 4.195 0 C-N-CA 126.521 1.928 . . . . 0.0 113.314 -174.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -127.08 132.86 50.56 Favored 'General case' 1 C--N 1.432 4.195 0 C-N-CA 124.748 1.219 . . . . 0.0 110.78 -177.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.294 11.7 pt-20 -105.96 112.72 25.89 Favored 'General case' 0 C--N 1.42 3.657 0 C-N-CA 126.442 1.897 . . . . 0.0 112.595 175.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.7 mt -111.64 139.24 36.87 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.623 0 C-N-CA 124.726 1.21 . . . . 0.0 109.265 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 89' ' ' ARG . 1.8 m -121.57 121.06 36.59 Favored 'General case' 0 N--CA 1.529 3.478 0 C-N-CA 126.003 1.721 . . . . 0.0 108.284 174.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -117.32 142.61 46.88 Favored 'General case' 0 C--N 1.403 2.9 0 C-N-CA 127.372 2.269 . . . . 0.0 111.537 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.299 0.0 OUTLIER -95.06 135.4 36.65 Favored 'General case' 0 C--N 1.417 3.521 0 C-N-CA 124.864 1.266 . . . . 0.0 110.89 166.664 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.552 ' HA ' HD21 ' A' ' 19' ' ' LEU 0.342 47.0 mtp180 -64.32 107.2 1.27 Allowed 'General case' 1 N--CA 1.542 4.171 0 C-N-CA 128.003 2.521 . . . . 0.0 116.529 -172.957 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.88 174.62 54.8 Favored Glycine 2 C--N 1.432 5.896 0 CA-C-N 112.663 -2.062 . . . . 0.0 117.897 -175.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -83.87 -26.51 29.38 Favored 'General case' 1 N--CA 1.563 5.194 0 C-N-CA 127.301 2.24 . . . . 0.0 114.65 -179.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.2 p -93.09 -21.34 19.76 Favored 'General case' 1 C--N 1.438 4.433 0 C-N-CA 126.611 1.964 . . . . 0.0 115.51 179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.21 37.99 1.42 Allowed Glycine 1 C--N 1.453 7.08 0 C-N-CA 124.644 1.116 . . . . 0.0 112.917 179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.552 HD21 ' HA ' ' A' ' 14' ' ' ARG 0.456 4.5 mt 72.93 -23.5 0.21 Allowed 'General case' 2 N--CA 1.564 5.255 0 C-N-CA 130.916 3.686 . . . . 0.0 118.482 176.652 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.45 27.12 9.41 Favored Glycine 1 C--N 1.413 4.834 0 N-CA-C 117.009 1.564 . . . . 0.0 117.009 175.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -154.96 169.17 24.7 Favored 'General case' 1 C--N 1.449 4.921 0 C-N-CA 127.315 2.246 . . . . 0.0 109.932 176.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 70.8 m -136.2 143.24 44.27 Favored 'General case' 1 C--N 1.444 4.699 0 C-N-CA 125.208 1.403 . . . . 0.0 110.484 169.229 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.544 2.1 pp -120.82 125.82 74.51 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.676 0 N-CA-C 119.444 3.127 . . . . 0.0 119.444 -176.788 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.26 131.85 49.99 Favored 'General case' 1 C--N 1.442 4.59 0 CA-C-N 113.697 -1.592 . . . . 0.0 111.156 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -156.74 167.58 33.68 Favored Glycine 1 N--CA 1.519 4.178 0 C-N-CA 125.338 1.446 . . . . 0.0 113.642 179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.37 125.22 0.87 Allowed Glycine 1 C--N 1.403 4.254 0 N-CA-C 119.444 2.538 . . . . 0.0 119.444 176.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.279 16.3 p -96.86 -30.42 13.15 Favored 'General case' 1 N--CA 1.566 5.355 0 C-N-CA 125.083 1.353 . . . . 0.0 113.019 162.3 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -109.77 -37.15 5.73 Favored 'General case' 1 C--N 1.436 4.345 0 C-N-CA 124.797 1.239 . . . . 0.0 112.965 177.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -101.25 142.56 24.85 Favored Pre-proline 2 CA--C 1.649 4.772 0 C-N-CA 126.944 2.097 . . . . 0.0 114.04 -178.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.41 162.58 20.13 Favored 'Trans proline' 3 C--N 1.548 11.073 0 C-N-CA 124.2 3.267 . . . . 0.0 118.554 176.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 35' ' ' ASP . 6.6 t60 -122.27 -55.27 1.86 Allowed 'General case' 2 CA--C 1.638 4.336 0 C-N-CA 128.617 2.767 . . . . 0.0 109.99 172.258 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.54 HG22 ' HB2' ' A' ' 35' ' ' ASP 0.28 0.5 OUTLIER -124.58 22.17 3.95 Favored 'Isoleucine or valine' 2 CA--C 1.666 5.428 0 C-N-CA 127.457 2.303 . . . . 0.0 111.998 -170.676 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 129.1 -60.11 0.68 Allowed Glycine 0 C--N 1.394 3.804 0 C-N-CA 125.581 1.562 . . . . 0.0 112.931 -167.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -172.07 80.21 0.06 Allowed 'General case' 3 N--CA 1.558 4.937 0 C-N-CA 130.584 3.554 . . . . 0.0 107.716 175.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB2' HG22 ' A' ' 32' ' ' ILE . 6.4 t70 -110.45 139.89 21.97 Favored Pre-proline 2 CA--C 1.672 5.657 0 C-N-CA 125.775 1.63 . . . . 0.0 113.351 178.093 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.61 -19.89 11.09 Favored 'Trans proline' 3 C--N 1.554 11.366 0 C-N-CA 124.03 3.153 . . . . 0.0 118.776 174.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m -95.94 148.21 22.87 Favored 'General case' 2 N--CA 1.559 4.988 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 -172.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.602 ' CB ' ' CA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -89.95 128.7 41.75 Favored 'Isoleucine or valine' 3 CA--C 1.662 5.273 0 C-N-CA 128.049 2.54 . . . . 0.0 108.74 175.765 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -141.67 166.45 24.7 Favored 'General case' 2 C--O 1.33 5.324 0 C-N-CA 126.907 2.083 . . . . 0.0 110.781 175.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 mm -87.86 139.87 16.68 Favored 'Isoleucine or valine' 1 C--N 1.466 5.663 0 C-N-CA 126.435 1.894 . . . . 0.0 108.209 169.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 6.3 p -142.94 -25.95 0.6 Allowed 'General case' 1 N--CA 1.553 4.715 0 C-N-CA 127.307 2.243 . . . . 0.0 113.485 -175.064 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.532 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 10.2 tmtt? -128.4 128.42 44.44 Favored 'General case' 1 C--N 1.475 6.051 0 C-N-CA 123.482 0.713 . . . . 0.0 111.156 178.32 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.624 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.273 46.0 mm -124.37 130.68 73.53 Favored 'Isoleucine or valine' 0 C--N 1.414 3.379 0 C-N-CA 127.056 2.142 . . . . 0.0 108.577 174.577 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.3 mp -86.54 129.66 52.17 Favored Pre-proline 1 CA--C 1.679 5.941 0 C-N-CA 126.22 1.808 . . . . 0.0 110.263 173.436 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.75 -21.81 69.59 Favored 'Trans proline' 3 C--N 1.538 10.551 0 C-N-CA 124.436 3.424 . . . . 0.0 117.888 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.06 38.94 1.93 Allowed Glycine 1 C--N 1.428 5.676 0 CA-C-O 118.068 -1.407 . . . . 0.0 116.14 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.16 -177.8 38.97 Favored Glycine 2 C--N 1.442 6.449 0 C-N-CA 125.232 1.396 . . . . 0.0 116.35 174.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.99 -37.66 28.88 Favored 'General case' 0 N--CA 1.536 3.858 0 C-N-CA 128.686 2.794 . . . . 0.0 115.589 -177.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.68 -25.76 35.26 Favored 'General case' 2 N--CA 1.555 4.81 0 C-N-CA 127.826 2.451 . . . . 0.0 115.851 177.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.11 -40.97 19.11 Favored 'General case' 1 C--N 1.45 4.965 0 C-N-CA 127.535 2.334 . . . . 0.0 113.323 178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -90.7 -58.14 2.58 Favored 'General case' 1 C--N 1.451 4.983 0 C-N-CA 127.329 2.251 . . . . 0.0 114.23 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -91.39 -29.31 17.15 Favored 'General case' 2 C--N 1.46 5.371 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 -176.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.87 -37.44 13.19 Favored Glycine 2 C--N 1.438 6.242 0 N-CA-C 118.14 2.016 . . . . 0.0 118.14 -172.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.411 32.1 mmt180 87.46 17.34 0.08 Allowed 'General case' 2 N--CA 1.595 6.8 0 C-N-CA 130.094 3.358 . . . . 0.0 115.736 179.258 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.6 tp -90.69 127.82 36.43 Favored 'General case' 1 C--N 1.436 4.348 0 C-N-CA 126.786 2.034 . . . . 0.0 112.941 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -111.06 155.15 23.21 Favored 'General case' 0 N--CA 1.522 3.172 0 C-N-CA 128.369 2.668 . . . . 0.0 110.2 172.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -56.3 -26.66 22.64 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.1 0 C-N-CA 128.91 2.884 . . . . 0.0 115.944 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -91.85 8.85 35.36 Favored 'General case' 1 CA--C 1.67 5.579 0 C-N-CA 128.733 2.813 . . . . 0.0 112.305 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.37 -33.77 21.93 Favored 'General case' 2 C--N 1.489 6.647 0 N-CA-C 115.735 1.754 . . . . 0.0 115.735 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.26 68.8 m 45.94 120.09 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.401 0 C-N-CA 129.826 3.25 . . . . 0.0 116.811 175.719 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.592 HG21 HG13 ' A' ' 64' ' ' VAL . 10.3 mt -83.88 130.78 35.3 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.924 0 C-N-CA 124.892 1.277 . . . . 0.0 110.686 -176.507 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.269 1.5 pt? -96.0 -45.75 6.79 Favored 'General case' 1 C--N 1.433 4.202 0 O-C-N 125.295 1.622 . . . . 0.0 112.558 167.842 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -130.65 132.15 45.28 Favored 'General case' 2 C--N 1.449 4.923 0 O-C-N 124.764 1.29 . . . . 0.0 114.382 -176.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.592 HG13 HG21 ' A' ' 61' ' ' ILE 0.554 1.1 m -118.73 131.5 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.536 3.828 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 175.499 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.259 12.8 t-20 77.12 -74.15 0.08 Allowed 'General case' 2 N--CA 1.571 5.592 0 C-N-CA 130.78 3.632 . . . . 0.0 108.937 -176.07 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -156.92 5.03 0.15 Allowed 'General case' 1 CA--C 1.671 5.604 1 C-N-CA 132.565 4.346 . . . . 0.0 106.884 171.074 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 64' ' ' VAL 0.392 5.5 m -92.93 154.83 3.17 Favored 'Isoleucine or valine' 1 C--N 1.463 5.523 0 C-N-CA 127.897 2.479 . . . . 0.0 115.218 -169.687 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.06 100.38 12.6 Favored 'General case' 0 C--N 1.41 3.199 0 CA-C-N 111.89 -2.414 . . . . 0.0 111.51 -175.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.384 0.9 OUTLIER -103.81 19.28 4.01 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.032 0 C-N-CA 127.409 2.284 . . . . 0.0 112.235 177.389 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -73.93 -28.06 61.33 Favored 'General case' 1 N--CA 1.548 4.445 0 C-N-CA 128.227 2.611 . . . . 0.0 113.145 171.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -159.64 84.51 0.76 Allowed 'General case' 1 C--N 1.477 6.11 0 C-N-CA 127.985 2.514 . . . . 0.0 110.206 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.281 35.2 m -146.72 169.14 5.24 Favored 'Isoleucine or valine' 1 N--CA 1.546 4.354 0 C-N-CA 127.248 2.219 . . . . 0.0 110.909 176.905 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -80.21 161.66 25.07 Favored 'General case' 1 N--CA 1.56 5.036 0 C-N-CA 126.654 1.982 . . . . 0.0 110.548 166.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.274 19.5 p80 -53.46 -50.73 64.67 Favored 'General case' 2 N--CA 1.604 7.265 0 C-N-CA 125.038 1.335 . . . . 0.0 114.312 177.033 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.3 p -56.06 -37.32 69.12 Favored 'General case' 2 N--CA 1.556 4.858 0 C-N-CA 127.562 2.345 . . . . 0.0 114.167 175.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.26 -23.75 62.04 Favored 'General case' 1 C--N 1.447 4.813 0 C-N-CA 129.015 2.926 . . . . 0.0 114.396 176.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.46 -29.52 17.9 Favored 'General case' 1 C--N 1.461 5.454 0 C-N-CA 126.54 1.936 . . . . 0.0 113.117 174.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -74.67 -40.8 47.79 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.828 0 C-N-CA 127.645 2.378 . . . . 0.0 110.566 173.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -61.39 -26.12 67.64 Favored 'General case' 2 N--CA 1.574 5.746 0 C-N-CA 129.37 3.068 . . . . 0.0 115.117 178.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.37 -27.79 62.62 Favored 'General case' 1 C--N 1.442 4.625 0 C-N-CA 128.212 2.605 . . . . 0.0 112.141 170.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 mt -92.12 -31.23 15.59 Favored 'General case' 1 C--N 1.455 5.162 0 C-N-CA 127.822 2.449 . . . . 0.0 115.313 178.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -83.24 -24.97 32.1 Favored 'General case' 0 N--CA 1.53 3.528 0 C-N-CA 127.795 2.438 . . . . 0.0 113.003 174.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.392 10.7 pt-20 -72.86 -45.54 57.73 Favored 'General case' 2 N--CA 1.58 6.029 0 N-CA-C 118.856 2.91 . . . . 0.0 118.856 175.387 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.19 -19.84 63.55 Favored 'General case' 3 C--N 1.451 5.003 0 C-N-CA 126.42 1.888 . . . . 0.0 115.502 -174.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 79.09 -34.61 1.94 Allowed Glycine 1 C--N 1.42 5.226 0 N-CA-C 122.385 3.714 . . . . 0.0 122.385 168.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -154.74 -32.24 0.1 Allowed 'General case' 0 N--CA 1.539 3.996 0 C-N-CA 127.025 2.13 . . . . 0.0 111.942 -169.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.621 ' CA ' ' CB ' ' A' ' 87' ' ' ILE 0.294 40.5 mm -129.47 105.15 12.02 Favored 'Isoleucine or valine' 2 C--N 1.435 4.318 0 C-N-CA 125.57 1.548 . . . . 0.0 109.003 -176.091 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . 0.307 0.0 OUTLIER -113.08 120.06 62.13 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.431 0 O-C-N 125.673 1.858 . . . . 0.0 114.092 -179.645 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.511 ' HB3' HG23 ' A' ' 11' ' ' THR 0.4 36.7 ptt180 -112.6 108.23 17.23 Favored 'General case' 1 N--CA 1.554 4.754 0 C-N-CA 126.3 1.84 . . . . 0.0 115.257 -177.163 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.42 141.82 32.75 Favored 'General case' 0 N--CA 1.53 3.546 0 C-N-CA 128.724 2.809 . . . . 0.0 113.895 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -119.31 112.6 19.65 Favored 'General case' 0 C--O 1.302 3.84 0 C-N-CA 126.624 1.97 . . . . 0.0 111.108 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.276 34.3 m -106.99 159.93 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.418 0 O-C-N 126.687 2.492 . . . . 0.0 115.319 -174.952 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.304 25.4 ptt? -124.02 117.82 25.6 Favored 'General case' 1 N--CA 1.566 5.368 0 C-N-CA 127.56 2.344 . . . . 0.0 114.495 -175.501 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -122.09 147.21 46.4 Favored 'General case' 1 N--CA 1.54 4.052 0 C-N-CA 127.779 2.432 . . . . 0.0 110.234 178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -71.01 142.34 50.94 Favored 'General case' 1 N--CA 1.561 5.082 0 C-N-CA 128.086 2.554 . . . . 0.0 116.353 -177.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.268 22.0 pttm -64.31 141.24 98.12 Favored Pre-proline 2 CA--C 1.673 5.675 0 C-N-CA 129.104 2.962 . . . . 0.0 116.884 -178.138 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -68.22 153.74 73.87 Favored 'Trans proline' 3 C--N 1.554 11.354 0 C-N-CA 124.088 3.192 . . . . 0.0 116.635 177.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -65.57 141.16 65.75 Favored 'Trans proline' 3 C--N 1.555 11.438 0 C-N-CA 124.11 3.207 . . . . 0.0 116.896 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.434 4.274 0 C-N-CA 126.549 1.94 . . . . 0.0 113.043 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.554 3.7 m . . . . . 1 N--CA 1.545 4.286 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.918 15.7 m -76.47 74.97 0.51 Allowed 'Isoleucine or valine' 1 N--CA 1.553 4.722 0 N-CA-C 119.056 2.984 . . . . 0.0 119.056 -178.039 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 59.3 p -122.45 106.59 11.18 Favored 'General case' 0 C--N 1.41 3.204 0 C-N-CA 129.937 3.295 . . . . 0.0 109.225 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.317 0.8 OUTLIER -155.95 -54.85 0.09 Allowed 'General case' 1 N--CA 1.555 4.792 0 C-N-CA 126.688 1.995 . . . . 0.0 114.832 -177.585 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.369 99.8 mtt180 75.79 77.73 0.1 Allowed 'General case' 2 N--CA 1.573 5.695 0 C-N-CA 130.033 3.333 . . . . 0.0 110.451 -165.491 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.512 11.3 tp -97.31 71.43 0.53 Allowed 'Isoleucine or valine' 2 N--CA 1.542 4.167 0 C-N-CA 125.328 1.451 . . . . 0.0 113.623 -175.186 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 72.7 m -125.08 24.52 7.48 Favored 'General case' 2 N--CA 1.561 5.083 0 C-N-CA 128.698 2.799 . . . . 0.0 112.101 176.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -80.96 -169.32 2.17 Favored 'General case' 3 CA--C 1.649 4.771 0 C-N-CA 128.269 2.628 . . . . 0.0 115.364 -172.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.492 HG12 HD12 ' A' ' 19' ' ' LEU . 3.2 t . . . . . 2 N--CA 1.552 4.643 0 C-N-CA 127.112 2.165 . . . . 0.0 108.819 -174.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.566 0 CA-C-O 119.868 -0.407 . . . . 0.0 112.864 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . 0.339 . . 60.6 122.84 0.01 OUTLIER 'General case' 2 N--CA 1.586 6.348 0 C-N-CA 130.14 3.376 . . . . 0.0 117.279 -179.836 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -111.07 143.81 41.2 Favored 'General case' 0 N--CA 1.537 3.904 0 C-N-CA 126.533 1.933 . . . . 0.0 113.185 176.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -87.21 165.42 15.71 Favored 'General case' 1 N--CA 1.551 4.586 0 C-N-CA 127.154 2.182 . . . . 0.0 114.152 -177.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.254 20.6 ptp -104.87 158.06 16.79 Favored 'General case' 0 CA--C 1.628 3.949 0 C-N-CA 128.629 2.772 . . . . 0.0 114.569 -177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.329 10.1 pt-20 -129.37 117.67 20.97 Favored 'General case' 1 N--CA 1.547 4.383 0 C-N-CA 128.628 2.771 . . . . 0.0 111.356 -179.898 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -95.44 145.68 24.98 Favored 'General case' 1 N--CA 1.558 4.926 0 C-N-CA 126.538 1.935 . . . . 0.0 114.061 -171.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -128.06 132.81 49.03 Favored 'General case' 2 C--N 1.445 4.745 0 C-N-CA 124.699 1.2 . . . . 0.0 111.3 -177.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.285 11.6 pt-20 -106.91 113.26 26.63 Favored 'General case' 0 N--CA 1.536 3.864 0 C-N-CA 126.627 1.971 . . . . 0.0 112.474 175.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.0 mt -113.23 143.49 22.81 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.927 0 C-N-CA 125.414 1.486 . . . . 0.0 110.475 -177.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.261 0.5 OUTLIER -111.57 122.22 47.23 Favored 'General case' 0 N--CA 1.538 3.931 0 C-N-CA 127.005 2.122 . . . . 0.0 113.243 170.11 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -118.68 149.34 41.59 Favored 'General case' 0 N--CA 1.525 3.311 0 C-N-CA 127.676 2.39 . . . . 0.0 112.62 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.356 0.5 OUTLIER -101.51 129.6 47.61 Favored 'General case' 0 C--N 1.424 3.817 0 C-N-CA 125.199 1.4 . . . . 0.0 111.611 168.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -60.61 110.09 1.2 Allowed 'General case' 2 N--CA 1.55 4.569 0 C-N-CA 128.065 2.546 . . . . 0.0 113.121 -170.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.0 148.69 44.93 Favored Glycine 2 N--CA 1.539 5.507 0 N-CA-C 118.505 2.162 . . . . 0.0 118.505 -173.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -78.88 -27.15 43.96 Favored 'General case' 1 N--CA 1.568 5.457 0 C-N-CA 127.447 2.299 . . . . 0.0 113.825 177.103 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.2 m -90.58 -21.24 21.85 Favored 'General case' 1 C--N 1.441 4.562 0 C-N-CA 127.082 2.153 . . . . 0.0 112.714 171.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.2 54.66 0.48 Allowed Glycine 1 C--N 1.457 7.272 0 C-N-CA 125.598 1.57 . . . . 0.0 113.845 173.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.511 4.1 mm? 65.39 -44.89 0.36 Allowed 'General case' 2 C--N 1.449 4.905 0 N-CA-C 119.903 3.297 . . . . 0.0 119.903 -179.397 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.25 27.76 5.19 Favored Glycine 2 N--CA 1.525 4.576 0 C-N-CA 125.457 1.503 . . . . 0.0 115.953 178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -156.16 166.19 34.17 Favored 'General case' 1 C--N 1.44 4.503 0 C-N-CA 128.759 2.824 . . . . 0.0 108.958 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.577 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.1 m -132.59 145.36 51.04 Favored 'General case' 1 C--N 1.441 4.567 0 C-N-CA 124.402 1.081 . . . . 0.0 111.462 169.024 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.479 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.583 2.0 pp -120.0 125.43 74.25 Favored 'Isoleucine or valine' 2 N--CA 1.573 5.687 0 N-CA-C 120.121 3.378 . . . . 0.0 120.121 -175.153 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -107.67 119.37 39.24 Favored 'General case' 1 C--N 1.44 4.529 0 CA-C-N 113.348 -1.751 . . . . 0.0 112.848 -175.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.25 161.5 27.68 Favored Glycine 0 C--N 1.389 3.506 0 C-N-CA 125.496 1.522 . . . . 0.0 113.809 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.76 151.83 8.73 Favored Glycine 1 N--CA 1.523 4.498 0 N-CA-C 117.086 1.594 . . . . 0.0 117.086 -175.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.266 12.2 p -98.41 -39.63 8.68 Favored 'General case' 1 N--CA 1.567 5.412 0 C-N-CA 126.161 1.784 . . . . 0.0 113.685 169.894 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -100.82 -36.85 8.93 Favored 'General case' 1 C--N 1.43 4.07 0 C-N-CA 126.19 1.796 . . . . 0.0 112.771 175.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -101.37 110.1 60.64 Favored Pre-proline 2 C--N 1.448 4.883 0 C-N-CA 127.184 2.194 . . . . 0.0 111.474 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -70.61 155.51 62.98 Favored 'Trans proline' 3 C--N 1.542 10.712 0 C-N-CA 123.619 2.879 . . . . 0.0 118.213 -177.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -101.94 -56.58 2.24 Favored 'General case' 0 C--N 1.427 3.97 0 C-N-CA 127.198 2.199 . . . . 0.0 111.518 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.298 2.9 tp -100.42 -24.24 4.17 Favored 'Isoleucine or valine' 1 CA--C 1.653 4.915 0 C-N-CA 126.913 2.085 . . . . 0.0 114.846 -168.928 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 174.5 -65.83 0.11 Allowed Glycine 0 C--N 1.39 3.561 0 C-N-CA 126.495 1.998 . . . . 0.0 113.411 -174.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -153.1 8.26 0.41 Allowed 'General case' 3 N--CA 1.578 5.961 0 C-N-CA 127.955 2.502 . . . . 0.0 115.144 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -83.67 143.79 44.48 Favored Pre-proline 3 CA--C 1.654 4.972 0 N-CA-C 117.568 2.433 . . . . 0.0 117.568 -168.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -72.83 -15.36 26.64 Favored 'Trans proline' 3 C--N 1.566 12.003 0 C-N-CA 124.645 3.563 . . . . 0.0 119.723 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.6 p -76.52 138.04 39.98 Favored 'General case' 2 N--CA 1.567 5.391 0 C-N-CA 126.753 2.021 . . . . 0.0 116.271 -174.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.585 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.254 0.5 OUTLIER -99.66 129.23 50.54 Favored 'Isoleucine or valine' 3 C--N 1.446 4.762 0 C-N-CA 126.024 1.729 . . . . 0.0 109.916 -179.427 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -132.66 156.83 46.25 Favored 'General case' 2 N--CA 1.549 4.508 0 C-N-CA 128.227 2.611 . . . . 0.0 111.457 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mm -84.23 144.61 9.53 Favored 'Isoleucine or valine' 2 C--N 1.463 5.514 0 C-N-CA 125.86 1.664 . . . . 0.0 109.491 169.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.274 2.6 p -146.01 -28.39 0.42 Allowed 'General case' 1 N--CA 1.558 4.93 0 C-N-CA 127.667 2.387 . . . . 0.0 113.273 -177.804 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.577 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.273 51.9 tptt -121.58 127.26 50.73 Favored 'General case' 1 C--N 1.463 5.519 0 C-N-CA 124.573 1.149 . . . . 0.0 113.1 177.853 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.624 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 42.9 mm -126.64 125.56 67.28 Favored 'Isoleucine or valine' 0 C--N 1.412 3.322 0 C-N-CA 127.442 2.297 . . . . 0.0 108.133 171.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.566 ' CB ' ' CA ' ' A' ' 44' ' ' ILE 0.29 2.9 mp -81.4 127.72 72.5 Favored Pre-proline 2 CA--C 1.681 5.999 0 C-N-CA 127.246 2.219 . . . . 0.0 110.424 172.461 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -62.86 -21.75 73.34 Favored 'Trans proline' 3 C--N 1.541 10.683 0 C-N-CA 124.347 3.364 . . . . 0.0 117.74 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.48 36.74 2.4 Favored Glycine 1 C--N 1.428 5.664 0 CA-C-O 117.941 -1.477 . . . . 0.0 116.221 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -92.79 -178.75 40.66 Favored Glycine 3 C--N 1.447 6.736 0 C-N-CA 124.971 1.272 . . . . 0.0 116.005 173.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.13 -37.57 28.64 Favored 'General case' 0 N--CA 1.535 3.795 0 C-N-CA 128.584 2.753 . . . . 0.0 115.616 -177.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.65 -19.5 41.59 Favored 'General case' 2 N--CA 1.562 5.161 0 C-N-CA 126.816 2.047 . . . . 0.0 116.269 176.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -88.64 -42.13 12.2 Favored 'General case' 1 C--N 1.442 4.63 0 C-N-CA 127.46 2.304 . . . . 0.0 113.543 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -90.33 -55.48 3.58 Favored 'General case' 2 C--N 1.452 5.027 0 C-N-CA 126.849 2.06 . . . . 0.0 114.09 177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.23 -24.16 19.97 Favored 'General case' 2 C--N 1.457 5.254 0 N-CA-C 116.699 2.111 . . . . 0.0 116.699 -178.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.44 -43.15 5.31 Favored Glycine 2 C--N 1.439 6.289 0 N-CA-C 117.602 1.801 . . . . 0.0 117.602 -174.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.429 95.1 mtt180 90.27 10.96 0.06 Allowed 'General case' 2 N--CA 1.603 7.177 0 C-N-CA 130.384 3.474 . . . . 0.0 116.244 179.828 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.42 125.25 32.85 Favored 'General case' 1 C--N 1.436 4.368 0 C-N-CA 126.83 2.052 . . . . 0.0 113.905 179.311 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -111.66 161.32 16.37 Favored 'General case' 0 N--CA 1.533 3.677 0 C-N-CA 128.624 2.77 . . . . 0.0 111.175 173.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.563 HG13 HG12 ' A' ' 43' ' ' ILE 0.29 4.2 m -51.41 -30.62 10.88 Favored 'Isoleucine or valine' 2 N--CA 1.626 8.366 0 C-N-CA 128.116 2.567 . . . . 0.0 116.438 176.196 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.276 3.2 p-10 -90.09 7.79 36.02 Favored 'General case' 1 CA--C 1.652 4.896 0 C-N-CA 128.679 2.792 . . . . 0.0 113.637 -177.931 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.36 -37.4 14.04 Favored 'General case' 2 C--N 1.49 6.693 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 178.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.263 23.2 t 46.76 120.98 0.0 OUTLIER 'General case' 2 N--CA 1.587 6.413 0 C-N-CA 129.517 3.127 . . . . 0.0 116.043 177.247 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.0 mt -86.47 125.37 40.75 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.936 0 C-N-CA 124.761 1.224 . . . . 0.0 109.628 -178.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.253 1.4 pt? -93.54 -45.27 7.82 Favored 'General case' 0 C--N 1.424 3.815 0 O-C-N 125.395 1.684 . . . . 0.0 112.151 169.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -130.6 130.1 43.59 Favored 'General case' 1 C--N 1.447 4.838 0 O-C-N 125.126 1.517 . . . . 0.0 113.403 -176.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.457 HG11 HD22 ' A' ' 81' ' ' LEU 0.338 0.1 OUTLIER -120.92 132.51 70.22 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.681 0 O-C-N 123.435 0.459 . . . . 0.0 109.852 176.697 . . . . . . . . 5 4 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 72.58 1.48 4.0 Favored 'General case' 3 N--CA 1.612 7.635 0 C-N-CA 129.961 3.304 . . . . 0.0 112.23 -176.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.388 47.4 mt-10 89.17 5.51 0.15 Allowed 'General case' 3 N--CA 1.585 6.302 0 C-N-CA 131.013 3.725 . . . . 0.0 112.076 -160.635 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 64' ' ' VAL 0.386 3.3 m -85.75 153.24 3.5 Favored 'Isoleucine or valine' 1 C--N 1.471 5.871 0 C-N-CA 127.565 2.346 . . . . 0.0 113.15 -179.721 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.444 4.4 p-10 -86.98 93.1 9.25 Favored 'General case' 0 C--N 1.399 2.722 0 O-C-N 126.237 2.211 . . . . 0.0 114.337 -174.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.345 1.0 OUTLIER -92.29 -7.45 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.626 3.888 0 C-N-CA 127.81 2.444 . . . . 0.0 113.383 179.092 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -62.79 -13.5 34.01 Favored 'General case' 2 CA--C 1.673 5.707 0 C-N-CA 128.277 2.631 . . . . 0.0 113.835 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -158.96 78.31 0.76 Allowed 'General case' 2 C--N 1.457 5.272 0 C-N-CA 127.597 2.359 . . . . 0.0 108.045 178.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.255 35.1 m -145.54 163.33 11.69 Favored 'Isoleucine or valine' 1 N--CA 1.55 4.571 0 C-N-CA 127.69 2.396 . . . . 0.0 110.745 178.999 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.47 163.46 26.32 Favored 'General case' 1 N--CA 1.56 5.06 0 C-N-CA 126.475 1.91 . . . . 0.0 112.065 165.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -47.25 -58.16 4.4 Favored 'General case' 4 N--CA 1.578 5.949 0 C-N-CA 129.214 3.006 . . . . 0.0 112.792 175.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.4 t -63.49 -30.55 71.65 Favored 'General case' 2 C--N 1.455 5.16 0 C-N-CA 126.571 1.948 . . . . 0.0 112.712 178.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.74 -22.37 58.84 Favored 'General case' 1 C--N 1.458 5.309 0 C-N-CA 128.371 2.668 . . . . 0.0 114.012 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.1 -29.06 18.58 Favored 'General case' 1 C--N 1.469 5.788 0 C-N-CA 125.719 1.608 . . . . 0.0 112.788 172.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 62.8 t -72.41 -38.84 61.82 Favored 'Isoleucine or valine' 3 N--CA 1.605 7.325 0 C-N-CA 127.152 2.181 . . . . 0.0 110.213 170.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -57.3 -24.57 55.8 Favored 'General case' 2 N--CA 1.561 5.106 0 C-N-CA 129.275 3.03 . . . . 0.0 115.67 176.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.95 -27.59 57.6 Favored 'General case' 1 C--N 1.432 4.178 0 C-N-CA 127.377 2.271 . . . . 0.0 111.584 176.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.457 HD22 HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -92.95 -35.24 13.41 Favored 'General case' 1 C--N 1.442 4.605 0 C-N-CA 129.584 3.154 . . . . 0.0 112.92 -178.787 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -84.38 -28.71 26.78 Favored 'General case' 1 C--N 1.431 4.134 0 C-N-CA 127.441 2.297 . . . . 0.0 114.148 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.376 9.4 pt-20 -69.06 -43.68 74.12 Favored 'General case' 2 N--CA 1.582 6.14 0 N-CA-C 118.215 2.672 . . . . 0.0 118.215 176.487 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.64 -17.56 64.14 Favored 'General case' 2 C--N 1.451 5.019 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 -174.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.32 -34.94 1.76 Allowed Glycine 1 C--N 1.421 5.271 0 N-CA-C 122.523 3.769 . . . . 0.0 122.523 168.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.0 t -151.84 -36.84 0.12 Allowed 'General case' 0 N--CA 1.531 3.621 0 C-N-CA 127.308 2.243 . . . . 0.0 111.289 -169.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.28 43.0 mm -129.35 122.46 55.82 Favored 'Isoleucine or valine' 2 C--N 1.441 4.544 0 C-N-CA 125.214 1.406 . . . . 0.0 109.548 -179.328 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.425 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.399 18.8 m -118.59 121.27 66.61 Favored 'Isoleucine or valine' 0 N--CA 1.538 3.97 0 C-N-CA 126.953 2.101 . . . . 0.0 113.038 179.42 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.39 13.7 ptm180 -109.17 99.35 8.65 Favored 'General case' 1 N--CA 1.546 4.353 0 C-N-CA 126.054 1.742 . . . . 0.0 113.94 -179.355 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -99.05 139.9 34.01 Favored 'General case' 0 N--CA 1.527 3.399 0 C-N-CA 127.901 2.48 . . . . 0.0 113.742 -176.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -119.01 112.55 19.71 Favored 'General case' 1 C--O 1.312 4.364 0 C-N-CA 126.536 1.934 . . . . 0.0 111.207 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.5 m -106.18 159.1 6.26 Favored 'Isoleucine or valine' 2 N--CA 1.556 4.871 0 O-C-N 127.165 2.791 . . . . 0.0 115.207 -176.444 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.319 25.5 ptt? -119.79 110.87 17.28 Favored 'General case' 1 N--CA 1.556 4.857 0 C-N-CA 127.792 2.437 . . . . 0.0 113.709 -176.759 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -117.69 146.87 43.42 Favored 'General case' 0 CA--C 1.623 3.763 0 C-N-CA 127.382 2.273 . . . . 0.0 109.057 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -99.19 144.27 28.51 Favored 'General case' 1 N--CA 1.554 4.741 0 C-N-CA 126.926 2.09 . . . . 0.0 114.291 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -64.82 131.11 95.07 Favored Pre-proline 3 N--CA 1.571 5.601 0 C-N-CA 127.802 2.441 . . . . 0.0 116.408 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -62.93 -35.76 64.68 Favored 'Trans proline' 3 C--N 1.555 11.411 0 C-N-CA 124.694 3.596 . . . . 0.0 120.235 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -41.59 -35.21 2.46 Favored 'Trans proline' 3 C--N 1.574 12.407 1 C-N-CA 125.532 4.155 . . . . 0.0 120.717 -176.864 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . 0.383 . . . . . . . 2 N--CA 1.58 6.06 0 C-N-CA 129.394 3.078 . . . . 0.0 117.315 178.71 . . . . . . . . 2 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.429 9.8 p . . . . . 0 CA--C 1.599 2.834 0 CA-C-O 121.977 0.894 . . . . 0.0 112.129 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.288 13.0 p -99.01 -15.25 7.48 Favored 'Isoleucine or valine' 1 CA--C 1.663 5.323 0 C-N-CA 128.83 2.852 . . . . 0.0 117.122 -164.333 . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 75.3 m -103.13 -32.16 9.79 Favored 'General case' 2 N--CA 1.573 5.7 0 N-CA-C 119.335 3.087 . . . . 0.0 119.335 -165.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.02 176.05 5.18 Favored 'General case' 2 CA--C 1.645 4.603 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -169.585 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.295 0.4 OUTLIER -104.52 -40.12 6.16 Favored 'General case' 1 C--N 1.436 4.339 0 C-N-CA 127.293 2.237 . . . . 0.0 114.202 175.007 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.669 0.6 OUTLIER 73.56 80.58 0.05 OUTLIER 'Isoleucine or valine' 2 C--N 1.461 5.436 0 C-N-CA 128.782 2.833 . . . . 0.0 116.348 -179.115 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 71.7 m -126.95 6.48 6.59 Favored 'General case' 2 N--CA 1.573 5.706 0 C-N-CA 126.961 2.104 . . . . 0.0 114.854 -177.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.479 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 62.5 m -78.16 -177.36 5.06 Favored 'General case' 3 N--CA 1.561 5.12 0 C-N-CA 127.757 2.423 . . . . 0.0 116.133 -172.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 t . . . . . 2 C--N 1.452 5.027 0 C-N-CA 126.792 2.037 . . . . 0.0 107.069 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.519 0 CA-C-O 119.529 -0.595 . . . . 0.0 112.883 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.72 128.84 55.22 Favored 'General case' 0 C--N 1.426 3.903 0 C-N-CA 126.508 1.923 . . . . 0.0 112.769 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 45.8 mtt -110.67 127.17 55.18 Favored 'General case' 1 N--CA 1.547 4.386 0 C-N-CA 126.307 1.843 . . . . 0.0 113.671 179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.372 10.7 pt-20 -110.55 157.47 19.61 Favored 'General case' 0 N--CA 1.535 3.811 0 C-N-CA 127.074 2.15 . . . . 0.0 115.317 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.279 20.9 ptt? -96.29 148.0 23.2 Favored 'General case' 0 N--CA 1.537 3.911 0 C-N-CA 127.868 2.467 . . . . 0.0 114.052 179.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.387 10.5 pt-20 -126.11 120.33 29.89 Favored 'General case' 1 N--CA 1.559 4.98 0 C-N-CA 127.099 2.159 . . . . 0.0 113.742 -176.919 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -97.86 140.88 31.58 Favored 'General case' 1 N--CA 1.552 4.659 0 C-N-CA 125.839 1.656 . . . . 0.0 113.446 -174.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -125.28 129.49 50.12 Favored 'General case' 1 C--N 1.434 4.261 0 O-C-N 124.694 1.246 . . . . 0.0 111.028 -175.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.292 10.9 pt-20 -107.06 111.77 24.39 Favored 'General case' 0 N--CA 1.531 3.577 0 C-N-CA 126.846 2.058 . . . . 0.0 113.202 178.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.9 mt -114.81 135.96 53.0 Favored 'Isoleucine or valine' 2 N--CA 1.552 4.644 0 C-N-CA 125.34 1.456 . . . . 0.0 109.77 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -117.46 121.19 40.36 Favored 'General case' 0 CA--C 1.619 3.616 0 C-N-CA 127.252 2.221 . . . . 0.0 108.264 174.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 69.2 mt -113.31 149.28 34.16 Favored 'General case' 0 N--CA 1.531 3.618 0 C-N-CA 127.922 2.489 . . . . 0.0 112.416 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.281 11.4 pt-20 -106.9 126.31 52.14 Favored 'General case' 0 C--N 1.419 3.627 0 C-N-CA 126.024 1.729 . . . . 0.0 109.902 167.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -49.09 111.23 0.45 Allowed 'General case' 1 N--CA 1.563 5.194 0 C-N-CA 129.879 3.272 . . . . 0.0 114.344 -170.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.433 ' H ' HD13 ' A' ' 19' ' ' LEU . . . -65.66 168.48 31.61 Favored Glycine 3 N--CA 1.555 6.61 0 N-CA-C 118.282 2.073 . . . . 0.0 118.282 -177.321 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -73.12 -33.25 65.43 Favored 'General case' 1 N--CA 1.578 5.929 0 C-N-CA 127.21 2.204 . . . . 0.0 114.938 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.2 p -99.07 -17.85 18.03 Favored 'General case' 2 C--N 1.429 4.041 0 C-N-CA 127.286 2.235 . . . . 0.0 113.927 174.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.88 60.38 0.42 Allowed Glycine 1 C--N 1.445 6.627 0 C-N-CA 126.212 1.863 . . . . 0.0 110.92 -177.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD13 ' H ' ' A' ' 15' ' ' GLY 0.554 2.8 mm? 69.84 -89.11 0.03 OUTLIER 'General case' 1 C--N 1.446 4.788 0 C-N-CA 130.182 3.393 . . . . 0.0 115.52 -172.537 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.423 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . 153.35 39.52 0.02 OUTLIER Glycine 1 C--N 1.4 4.115 0 C-N-CA 125.526 1.536 . . . . 0.0 114.1 -179.186 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -156.84 168.46 27.38 Favored 'General case' 2 C--N 1.442 4.613 0 C-N-CA 129.071 2.948 . . . . 0.0 108.832 177.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.444 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 67.8 m -135.55 145.42 46.98 Favored 'General case' 1 C--N 1.446 4.788 0 C-N-CA 124.946 1.298 . . . . 0.0 110.586 169.229 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.406 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.515 2.3 pp -121.78 126.94 75.29 Favored 'Isoleucine or valine' 2 N--CA 1.572 5.663 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -174.72 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.23 117.05 33.12 Favored 'General case' 1 C--N 1.437 4.378 0 CA-C-N 113.518 -1.674 . . . . 0.0 110.608 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -166.15 156.44 28.35 Favored Glycine 1 N--CA 1.516 4.022 0 C-N-CA 126.165 1.84 . . . . 0.0 113.068 -174.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.39 150.39 7.9 Favored Glycine 1 C--N 1.401 4.181 0 N-CA-C 118.277 2.071 . . . . 0.0 118.277 -170.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 p -102.57 -41.95 6.09 Favored 'General case' 1 N--CA 1.557 4.903 0 C-N-CA 126.412 1.885 . . . . 0.0 113.087 165.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -102.57 -31.98 10.14 Favored 'General case' 1 C--N 1.433 4.197 0 C-N-CA 126.506 1.922 . . . . 0.0 113.28 177.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -100.41 105.33 35.92 Favored Pre-proline 2 CA--C 1.653 4.927 0 C-N-CA 126.94 2.096 . . . . 0.0 112.45 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.66 169.29 22.7 Favored 'Trans proline' 3 C--N 1.545 10.914 0 C-N-CA 123.943 3.095 . . . . 0.0 117.06 178.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -125.25 -50.02 1.67 Allowed 'General case' 1 C--N 1.436 4.336 0 C-N-CA 127.042 2.137 . . . . 0.0 111.54 170.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.396 3.4 mm -115.0 4.23 7.7 Favored 'Isoleucine or valine' 2 N--CA 1.547 4.401 0 C-N-CA 127.101 2.16 . . . . 0.0 115.437 -167.835 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 107.89 59.56 0.56 Allowed Glycine 1 N--CA 1.522 4.431 0 C-N-CA 126.929 2.204 . . . . 0.0 115.843 -176.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.421 9.6 t70 69.48 70.44 0.25 Allowed 'General case' 2 N--CA 1.575 5.779 0 C-N-CA 130.633 3.573 . . . . 0.0 113.532 176.935 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.92 129.68 23.66 Favored Pre-proline 1 CA--C 1.645 4.633 0 C-N-CA 127.343 2.257 . . . . 0.0 114.486 178.007 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.58 -26.02 12.22 Favored 'Trans proline' 3 C--N 1.554 11.349 0 C-N-CA 124.265 3.31 . . . . 0.0 119.062 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.5 p -81.97 146.75 29.58 Favored 'General case' 2 N--CA 1.558 4.939 0 C-N-CA 126.877 2.071 . . . . 0.0 115.514 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.288 0.8 OUTLIER -94.54 113.2 28.58 Favored 'Isoleucine or valine' 3 C--N 1.449 4.924 0 C-N-CA 125.67 1.588 . . . . 0.0 109.081 -178.9 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -119.42 146.84 45.02 Favored 'General case' 0 N--CA 1.538 3.968 0 C-N-CA 129.426 3.09 . . . . 0.0 112.151 -168.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -87.76 139.88 16.66 Favored 'Isoleucine or valine' 2 C--N 1.45 4.949 0 C-N-CA 125.657 1.583 . . . . 0.0 109.966 175.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.6 m -141.3 -35.88 0.46 Allowed 'General case' 0 CA--C 1.619 3.629 0 C-N-CA 127.5 2.32 . . . . 0.0 109.89 -171.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 7.7 tmtm? -125.95 128.69 47.9 Favored 'General case' 1 C--N 1.467 5.678 0 O-C-N 123.977 0.798 . . . . 0.0 111.468 -177.404 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.638 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.276 46.9 mm -124.7 128.5 73.43 Favored 'Isoleucine or valine' 0 C--N 1.415 3.415 0 C-N-CA 126.921 2.089 . . . . 0.0 108.731 174.286 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.293 3.1 mp -83.54 131.58 52.09 Favored Pre-proline 2 CA--C 1.68 5.946 0 C-N-CA 126.547 1.939 . . . . 0.0 110.768 173.317 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.64 -21.59 65.22 Favored 'Trans proline' 3 C--N 1.539 10.592 0 C-N-CA 124.24 3.293 . . . . 0.0 117.654 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.0 40.06 1.7 Allowed Glycine 1 C--N 1.428 5.668 0 CA-C-O 118.112 -1.382 . . . . 0.0 115.899 178.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -93.6 -177.54 39.85 Favored Glycine 2 C--N 1.442 6.45 0 C-N-CA 125.382 1.468 . . . . 0.0 116.28 174.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.63 -38.28 29.52 Favored 'General case' 0 N--CA 1.538 3.941 0 C-N-CA 128.946 2.898 . . . . 0.0 115.271 -177.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.51 -25.48 35.91 Favored 'General case' 2 C--N 1.448 4.876 0 C-N-CA 126.944 2.098 . . . . 0.0 115.934 176.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.32 -42.52 17.02 Favored 'General case' 1 C--N 1.446 4.785 0 C-N-CA 127.208 2.203 . . . . 0.0 113.638 178.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -90.82 -55.29 3.62 Favored 'General case' 1 C--N 1.451 4.988 0 C-N-CA 127.277 2.231 . . . . 0.0 115.131 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.87 -34.35 15.29 Favored 'General case' 1 C--N 1.46 5.407 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -173.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.42 -48.03 4.42 Favored Glycine 2 C--N 1.441 6.381 0 N-CA-C 117.287 1.675 . . . . 0.0 117.287 -174.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.59 97.3 mtt180 87.25 57.71 0.01 OUTLIER 'General case' 2 N--CA 1.572 5.674 0 C-N-CA 130.582 3.553 . . . . 0.0 116.728 -178.943 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 tp -110.79 132.09 54.49 Favored 'General case' 0 C--N 1.415 3.443 0 C-N-CA 128.075 2.55 . . . . 0.0 111.46 171.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.28 153.99 25.12 Favored 'General case' 0 N--CA 1.526 3.374 0 C-N-CA 127.686 2.394 . . . . 0.0 110.214 169.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.1 p -57.12 -26.53 25.36 Favored 'Isoleucine or valine' 2 N--CA 1.562 5.142 0 C-N-CA 128.593 2.757 . . . . 0.0 115.952 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -91.94 9.56 32.51 Favored 'General case' 1 CA--C 1.673 5.683 0 C-N-CA 129.11 2.964 . . . . 0.0 112.316 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.14 -35.34 18.69 Favored 'General case' 2 C--N 1.489 6.648 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.6 m 47.36 125.01 0.0 OUTLIER 'General case' 2 N--CA 1.591 6.6 0 C-N-CA 129.236 3.014 . . . . 0.0 116.231 178.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -89.57 126.1 42.52 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.94 0 C-N-CA 124.216 1.006 . . . . 0.0 110.197 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.264 1.5 pt? -91.17 -43.94 9.55 Favored 'General case' 1 C--N 1.436 4.353 0 C-N-CA 124.946 1.298 . . . . 0.0 112.347 169.848 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -131.19 132.01 44.41 Favored 'General case' 2 C--N 1.447 4.838 0 O-C-N 125.161 1.538 . . . . 0.0 113.918 -177.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . 0.291 21.6 t -113.73 136.83 48.93 Favored 'Isoleucine or valine' 1 N--CA 1.581 6.108 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.64 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . 0.311 38.4 m-80 74.59 -80.88 0.03 OUTLIER 'General case' 2 N--CA 1.591 6.607 0 C-N-CA 128.737 2.815 . . . . 0.0 111.506 -177.846 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -157.75 8.78 0.16 Allowed 'General case' 1 CA--C 1.639 4.387 1 C-N-CA 134.632 5.173 . . . . 0.0 106.747 170.426 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.371 25.2 m -102.52 156.04 4.97 Favored 'Isoleucine or valine' 1 C--N 1.465 5.588 0 C-N-CA 127.713 2.405 . . . . 0.0 115.339 -167.361 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -85.77 103.33 14.44 Favored 'General case' 0 C--N 1.412 3.292 0 C-N-CA 127.86 2.464 . . . . 0.0 111.469 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.452 29.5 m -97.15 -12.7 8.3 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.046 0 N-CA-C 115.383 1.623 . . . . 0.0 115.383 174.561 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.284 16.2 ptm180 -44.3 -27.65 0.45 Allowed 'General case' 2 N--CA 1.585 6.279 0 C-N-CA 129.105 2.962 . . . . 0.0 117.841 179.44 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -149.27 76.41 1.32 Allowed 'General case' 1 C--N 1.439 4.493 0 C-N-CA 129.867 3.267 . . . . 0.0 108.865 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.288 19.4 m -141.06 159.94 23.1 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.473 0 C-N-CA 126.758 2.023 . . . . 0.0 110.596 177.598 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.1 p -76.84 161.7 28.23 Favored 'General case' 1 N--CA 1.56 5.068 0 C-N-CA 126.4 1.88 . . . . 0.0 112.205 166.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -46.87 -56.61 6.03 Favored 'General case' 3 N--CA 1.576 5.846 0 C-N-CA 129.009 2.924 . . . . 0.0 112.785 174.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 m -61.79 -34.18 75.43 Favored 'General case' 2 C--N 1.456 5.206 0 C-N-CA 126.536 1.934 . . . . 0.0 113.503 177.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.06 -22.34 63.07 Favored 'General case' 1 C--N 1.457 5.243 0 C-N-CA 128.46 2.704 . . . . 0.0 114.236 174.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.47 -35.78 14.91 Favored 'General case' 1 C--N 1.463 5.54 0 C-N-CA 126.544 1.937 . . . . 0.0 112.728 174.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.37 -40.41 56.45 Favored 'Isoleucine or valine' 3 N--CA 1.59 6.57 0 C-N-CA 127.231 2.213 . . . . 0.0 111.709 177.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.6 mt-10 -63.19 -20.1 65.11 Favored 'General case' 1 N--CA 1.598 6.958 0 C-N-CA 128.271 2.628 . . . . 0.0 115.381 177.329 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.62 -28.81 56.24 Favored 'General case' 1 CA--C 1.636 4.253 0 C-N-CA 126.279 1.831 . . . . 0.0 112.067 167.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.426 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.4 mt -92.97 -32.99 14.33 Favored 'General case' 2 C--N 1.46 5.381 0 C-N-CA 126.812 2.045 . . . . 0.0 116.247 178.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -86.38 -38.49 17.36 Favored 'General case' 1 N--CA 1.546 4.328 0 C-N-CA 127.044 2.138 . . . . 0.0 114.351 177.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.255 39.1 mt-10 -90.42 -15.59 30.64 Favored 'General case' 2 N--CA 1.583 6.196 0 N-CA-C 119.737 3.236 . . . . 0.0 119.737 -175.871 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.74 -22.45 46.72 Favored 'General case' 3 N--CA 1.596 6.829 0 N-CA-C 115.963 1.838 . . . . 0.0 115.963 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 110.03 -34.71 5.27 Favored Glycine 1 C--N 1.43 5.751 0 N-CA-C 119.046 2.378 . . . . 0.0 119.046 166.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 83.2 p -174.79 -34.56 0.01 OUTLIER 'General case' 1 N--CA 1.562 5.147 0 C-N-CA 128.753 2.821 . . . . 0.0 112.933 -173.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.261 46.0 mm -118.57 121.4 66.93 Favored 'Isoleucine or valine' 0 C--N 1.423 3.762 0 C-N-CA 126.337 1.855 . . . . 0.0 109.019 -177.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.341 17.9 m -127.49 121.12 56.37 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.577 0 C-N-CA 127.467 2.307 . . . . 0.0 112.768 179.325 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -108.42 137.15 46.86 Favored 'General case' 0 N--CA 1.538 3.932 0 C-N-CA 126.104 1.762 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 pp -125.05 137.42 54.21 Favored 'General case' 0 N--CA 1.522 3.165 0 C-N-CA 127.855 2.462 . . . . 0.0 112.845 177.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -117.81 111.6 19.28 Favored 'General case' 0 C--O 1.298 3.634 0 C-N-CA 126.492 1.917 . . . . 0.0 110.606 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.266 33.3 m -106.71 159.44 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.383 0 O-C-N 126.617 2.448 . . . . 0.0 115.298 -174.748 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.364 0.0 OUTLIER -124.28 109.14 13.0 Favored 'General case' 2 N--CA 1.557 4.882 0 C-N-CA 126.255 1.822 . . . . 0.0 113.429 -178.022 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.328 17.1 ptm180 -129.2 114.19 15.99 Favored 'General case' 1 N--CA 1.559 4.982 0 C-N-CA 126.06 1.744 . . . . 0.0 113.452 179.903 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . 0.318 0.0 OUTLIER -81.03 161.31 24.26 Favored 'General case' 2 N--CA 1.551 4.605 0 C-N-CA 125.381 1.473 . . . . 0.0 114.268 -178.461 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -53.42 148.54 16.8 Favored Pre-proline 2 N--CA 1.587 6.415 0 C-N-CA 128.954 2.901 . . . . 0.0 116.186 -178.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.87 133.57 22.71 Favored 'Trans proline' 3 C--N 1.565 11.966 0 C-N-CA 125.137 3.891 . . . . 0.0 119.551 -171.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -70.43 151.67 65.36 Favored 'Trans proline' 3 C--N 1.555 11.43 0 C-N-CA 124.287 3.325 . . . . 0.0 117.043 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.438 4.434 0 C-N-CA 126.697 1.999 . . . . 0.0 113.031 179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.45 12.5 m . . . . . 0 N--CA 1.536 3.856 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.269 11.5 p -107.48 2.23 9.91 Favored 'Isoleucine or valine' 1 CA--C 1.669 5.547 0 C-N-CA 128.169 2.588 . . . . 0.0 110.671 174.033 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -132.11 -24.83 2.07 Favored 'General case' 1 C--N 1.453 5.082 0 C-N-CA 126.993 2.117 . . . . 0.0 112.415 -172.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -119.47 155.04 32.81 Favored 'General case' 2 C--N 1.44 4.501 0 C-N-CA 128.971 2.909 . . . . 0.0 111.785 -173.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.335 6.7 ppt_? -107.41 -35.88 6.65 Favored 'General case' 1 N--CA 1.544 4.267 0 C-N-CA 127.549 2.34 . . . . 0.0 114.592 173.699 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.569 9.8 tt 57.84 89.8 0.04 OUTLIER 'Isoleucine or valine' 3 N--CA 1.571 5.625 0 C-N-CA 130.384 3.474 . . . . 0.0 116.003 179.398 . . . . . . . . 3 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 16.0 t -128.36 31.27 5.05 Favored 'General case' 2 CA--C 1.66 5.184 0 C-N-CA 127.149 2.18 . . . . 0.0 110.86 176.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.406 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 66.8 m -91.5 -176.62 4.57 Favored 'General case' 3 N--CA 1.547 4.378 0 C-N-CA 127.534 2.334 . . . . 0.0 115.271 -172.537 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 2 C--N 1.449 4.913 0 C-N-CA 127.221 2.209 . . . . 0.0 107.323 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.59 0 CA-C-O 119.42 -0.656 . . . . 0.0 112.986 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.19 131.39 55.1 Favored 'General case' 0 C--N 1.427 3.951 0 C-N-CA 126.565 1.946 . . . . 0.0 112.657 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.255 14.6 mmt -111.16 139.51 46.48 Favored 'General case' 2 N--CA 1.54 4.056 0 C-N-CA 125.856 1.663 . . . . 0.0 115.269 179.47 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -121.51 164.89 16.47 Favored 'General case' 1 N--CA 1.554 4.744 0 C-N-CA 127.892 2.477 . . . . 0.0 111.388 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.322 26.1 ptt? -78.67 165.12 24.0 Favored 'General case' 3 N--CA 1.55 4.569 0 C-N-CA 127.386 2.274 . . . . 0.0 114.013 177.432 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.379 11.0 pt-20 -119.82 119.82 34.7 Favored 'General case' 1 N--CA 1.548 4.445 0 C-N-CA 125.516 1.526 . . . . 0.0 114.394 -170.213 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -103.24 143.66 32.35 Favored 'General case' 1 N--CA 1.546 4.337 0 C-N-CA 126.547 1.939 . . . . 0.0 112.921 -177.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -127.59 129.3 47.05 Favored 'General case' 1 C--N 1.433 4.237 0 C-N-CA 124.689 1.196 . . . . 0.0 110.964 -177.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.293 11.6 pt-20 -104.42 111.64 24.37 Favored 'General case' 0 N--CA 1.535 3.807 0 C-N-CA 126.248 1.819 . . . . 0.0 112.4 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mt -115.39 139.8 40.02 Favored 'Isoleucine or valine' 2 N--CA 1.546 4.358 0 C-N-CA 124.977 1.311 . . . . 0.0 109.076 -177.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.4 m -119.11 124.64 47.37 Favored 'General case' 1 N--CA 1.542 4.167 0 C-N-CA 126.397 1.879 . . . . 0.0 108.714 176.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -119.93 143.21 48.1 Favored 'General case' 0 N--CA 1.52 3.049 0 C-N-CA 127.524 2.329 . . . . 0.0 112.748 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . 0.277 11.5 pt-20 -102.0 128.58 48.36 Favored 'General case' 0 C--N 1.414 3.375 0 C-N-CA 125.708 1.603 . . . . 0.0 110.33 168.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -55.85 109.31 0.55 Allowed 'General case' 1 N--CA 1.558 4.955 0 C-N-CA 128.079 2.552 . . . . 0.0 113.909 -174.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.23 -166.58 11.06 Favored Glycine 2 N--CA 1.545 5.911 0 N-CA-C 118.493 2.157 . . . . 0.0 118.493 -174.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -84.82 -30.52 24.47 Favored 'General case' 1 N--CA 1.563 5.178 0 C-N-CA 127.144 2.177 . . . . 0.0 114.764 -177.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.3 p -101.07 -20.94 15.15 Favored 'General case' 1 C--N 1.435 4.322 0 C-N-CA 126.55 1.94 . . . . 0.0 115.897 -178.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.6 42.99 0.91 Allowed Glycine 1 C--N 1.457 7.285 0 C-N-CA 124.573 1.083 . . . . 0.0 111.687 -175.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.502 2.2 mt 77.69 -31.03 0.16 Allowed 'General case' 2 N--CA 1.559 4.982 0 C-N-CA 131.101 3.761 . . . . 0.0 118.312 176.449 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.13 35.73 4.67 Favored Glycine 2 C--N 1.414 4.906 0 N-CA-C 117.065 1.586 . . . . 0.0 117.065 174.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -156.5 171.96 19.37 Favored 'General case' 1 C--N 1.444 4.682 0 C-N-CA 127.654 2.382 . . . . 0.0 109.578 175.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 75.3 m -137.63 145.67 43.0 Favored 'General case' 1 C--N 1.441 4.557 0 C-N-CA 125.475 1.51 . . . . 0.0 110.757 168.377 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.528 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.58 2.2 pp -118.52 128.42 75.46 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.12 0 N-CA-C 119.301 3.075 . . . . 0.0 119.301 -175.236 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.516 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -104.24 117.68 34.81 Favored 'General case' 1 C--N 1.441 4.557 0 CA-C-N 112.904 -1.953 . . . . 0.0 110.673 -177.712 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.72 160.88 31.87 Favored Glycine 1 N--CA 1.518 4.122 0 C-N-CA 125.539 1.543 . . . . 0.0 113.644 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 176.29 135.07 2.07 Favored Glycine 1 C--N 1.411 4.743 0 N-CA-C 119.645 2.618 . . . . 0.0 119.645 -174.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.279 11.8 p -104.15 -36.06 7.82 Favored 'General case' 1 N--CA 1.553 4.718 0 C-N-CA 125.76 1.624 . . . . 0.0 112.883 162.21 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -107.48 -35.75 6.67 Favored 'General case' 1 C--N 1.436 4.362 0 C-N-CA 125.453 1.501 . . . . 0.0 113.164 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -101.44 120.13 55.54 Favored Pre-proline 2 C--N 1.443 4.655 0 C-N-CA 127.055 2.142 . . . . 0.0 113.79 -178.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.478 ' HB3' ' H ' ' A' ' 34' ' ' ASP . 4.4 Cg_exo -72.22 161.3 44.91 Favored 'Trans proline' 3 C--N 1.547 11.009 0 C-N-CA 123.762 2.974 . . . . 0.0 117.688 177.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -112.4 -59.14 2.04 Favored 'General case' 1 CA--C 1.631 4.059 0 C-N-CA 127.871 2.468 . . . . 0.0 111.299 171.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.293 2.5 tp -124.88 14.01 4.55 Favored 'Isoleucine or valine' 1 CA--C 1.663 5.316 0 C-N-CA 127.717 2.407 . . . . 0.0 112.516 -166.416 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 101.97 60.06 0.76 Allowed Glycine 1 C--N 1.404 4.32 0 C-N-CA 127.279 2.371 . . . . 0.0 114.107 -175.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.478 ' H ' ' HB3' ' A' ' 30' ' ' PRO 0.457 7.7 m-20 69.74 76.26 0.22 Allowed 'General case' 2 N--CA 1.56 5.066 0 C-N-CA 130.208 3.403 . . . . 0.0 115.438 -179.03 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -100.16 124.72 42.26 Favored Pre-proline 1 CA--C 1.678 5.888 0 CA-C-N 112.392 -2.185 . . . . 0.0 111.865 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -75.66 -32.41 4.69 Favored 'Trans proline' 3 C--N 1.55 11.144 0 C-N-CA 124.034 3.156 . . . . 0.0 118.523 178.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.7 p -92.78 152.18 19.61 Favored 'General case' 2 N--CA 1.553 4.689 0 C-N-CA 126.898 2.079 . . . . 0.0 114.554 -176.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.291 0.5 OUTLIER -93.66 118.98 40.75 Favored 'Isoleucine or valine' 2 C--N 1.451 5.017 0 C-N-CA 125.551 1.54 . . . . 0.0 109.697 -177.957 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -129.19 150.15 50.69 Favored 'General case' 0 N--CA 1.529 3.503 0 C-N-CA 129.283 3.033 . . . . 0.0 111.463 -170.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 mm -87.36 144.21 9.73 Favored 'Isoleucine or valine' 2 N--CA 1.551 4.604 0 C-N-CA 126.168 1.787 . . . . 0.0 110.101 175.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.372 10.5 p -147.77 -26.14 0.36 Allowed 'General case' 1 N--CA 1.556 4.844 0 C-N-CA 127.453 2.301 . . . . 0.0 114.207 178.857 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.7 tmtt? -121.68 124.16 43.61 Favored 'General case' 1 C--N 1.476 6.082 0 CA-C-N 118.514 0.597 . . . . 0.0 111.371 178.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.638 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.275 42.5 mm -123.38 129.33 74.83 Favored 'Isoleucine or valine' 0 C--N 1.412 3.296 0 C-N-CA 127.101 2.16 . . . . 0.0 108.238 173.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.286 3.2 mp -85.67 129.7 53.79 Favored Pre-proline 1 CA--C 1.682 6.039 0 C-N-CA 126.239 1.816 . . . . 0.0 109.892 173.102 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.88 -20.69 72.01 Favored 'Trans proline' 3 C--N 1.537 10.477 0 C-N-CA 124.449 3.433 . . . . 0.0 118.002 -179.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -128.6 37.67 2.2 Favored Glycine 1 C--N 1.43 5.77 0 CA-C-O 117.889 -1.506 . . . . 0.0 116.581 179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.13 -179.01 40.11 Favored Glycine 3 C--N 1.443 6.519 0 C-N-CA 124.923 1.249 . . . . 0.0 116.01 172.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.11 -37.41 28.96 Favored 'General case' 0 N--CA 1.538 3.959 0 C-N-CA 128.732 2.813 . . . . 0.0 115.533 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.4 -23.03 37.86 Favored 'General case' 2 C--N 1.445 4.729 0 C-N-CA 127.368 2.267 . . . . 0.0 115.659 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.79 -42.45 14.18 Favored 'General case' 1 C--N 1.446 4.801 0 C-N-CA 127.359 2.264 . . . . 0.0 113.586 177.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -90.81 -55.51 3.54 Favored 'General case' 1 C--N 1.449 4.913 0 C-N-CA 127.136 2.174 . . . . 0.0 114.805 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.91 -32.24 16.08 Favored 'General case' 1 C--N 1.459 5.336 0 N-CA-C 117.363 2.357 . . . . 0.0 117.363 -174.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.46 -48.84 4.12 Favored Glycine 2 C--N 1.443 6.478 0 N-CA-C 117.642 1.817 . . . . 0.0 117.642 -174.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.538 79.0 mtp180 88.05 55.92 0.01 OUTLIER 'General case' 2 N--CA 1.579 5.997 0 C-N-CA 130.52 3.528 . . . . 0.0 116.043 -178.546 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 tp -110.78 132.8 53.89 Favored 'General case' 0 C--N 1.421 3.675 0 C-N-CA 127.978 2.511 . . . . 0.0 111.643 171.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . 0.267 40.8 ptt180 -112.21 164.62 12.99 Favored 'General case' 0 CA--C 1.613 3.391 0 C-N-CA 127.487 2.315 . . . . 0.0 112.49 172.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG13 HG12 ' A' ' 43' ' ' ILE 0.276 3.2 m -57.02 -30.5 34.19 Favored 'Isoleucine or valine' 1 N--CA 1.62 8.034 0 C-N-CA 127.208 2.203 . . . . 0.0 114.771 168.098 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -90.85 -0.91 57.85 Favored 'General case' 1 CA--C 1.664 5.338 0 C-N-CA 129.231 3.012 . . . . 0.0 111.669 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.279 1.5 m-20 -77.14 -39.12 50.4 Favored 'General case' 2 C--N 1.51 7.572 0 N-CA-C 116.323 1.971 . . . . 0.0 116.323 175.277 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.3 t 45.63 117.44 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.752 0 C-N-CA 129.362 3.065 . . . . 0.0 115.486 177.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.459 HG21 HG23 ' A' ' 64' ' ' VAL . 4.2 mt -85.57 128.29 39.31 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.175 0 C-N-CA 124.735 1.214 . . . . 0.0 110.488 -175.476 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.262 1.3 pt? -94.33 -43.03 8.6 Favored 'General case' 0 C--N 1.425 3.854 0 O-C-N 125.091 1.494 . . . . 0.0 112.913 169.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -131.44 120.37 22.92 Favored 'General case' 1 C--N 1.447 4.823 0 O-C-N 124.925 1.391 . . . . 0.0 112.97 -176.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.537 ' O ' HG22 ' A' ' 67' ' ' VAL 0.369 7.5 p -120.58 129.0 76.08 Favored 'Isoleucine or valine' 1 N--CA 1.567 5.384 0 O-C-N 123.724 0.64 . . . . 0.0 112.615 -176.21 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.2 t30 74.55 3.91 4.34 Favored 'General case' 3 N--CA 1.627 8.392 0 C-N-CA 128.903 2.881 . . . . 0.0 110.981 -170.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.325 21.2 tt0 82.13 19.67 0.32 Allowed 'General case' 3 CA--C 1.674 5.713 1 C-N-CA 131.891 4.076 . . . . 0.0 109.954 -162.57 . . . . . . . . 4 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.537 HG22 ' O ' ' A' ' 64' ' ' VAL 0.357 5.4 m -94.92 154.05 3.42 Favored 'Isoleucine or valine' 1 C--N 1.477 6.132 0 C-N-CA 126.266 1.827 . . . . 0.0 112.921 -178.523 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.435 4.4 p-10 -83.13 93.09 7.56 Favored 'General case' 0 C--N 1.406 3.061 0 O-C-N 126.152 2.157 . . . . 0.0 114.54 179.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.468 27.7 m -94.85 -3.49 10.61 Favored 'Isoleucine or valine' 1 N--CA 1.56 5.065 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 178.468 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -47.85 -27.66 2.2 Favored 'General case' 2 N--CA 1.595 6.807 0 C-N-CA 128.47 2.708 . . . . 0.0 116.341 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -150.87 81.7 1.33 Allowed 'General case' 1 C--N 1.452 5.05 0 C-N-CA 130.149 3.38 . . . . 0.0 109.305 176.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.578 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.271 22.1 m -141.94 169.03 14.22 Favored 'Isoleucine or valine' 1 N--CA 1.57 5.533 0 C-N-CA 126.316 1.846 . . . . 0.0 109.588 175.337 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.7 p -81.69 164.53 21.72 Favored 'General case' 1 N--CA 1.564 5.228 0 C-N-CA 127.957 2.503 . . . . 0.0 110.115 167.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.267 56.6 p-80 -53.02 -50.33 64.46 Favored 'General case' 3 N--CA 1.601 7.083 0 C-N-CA 125.102 1.361 . . . . 0.0 113.325 177.763 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.9 t -60.3 -31.3 70.14 Favored 'General case' 1 C--N 1.444 4.685 0 C-N-CA 127.639 2.375 . . . . 0.0 113.31 177.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.92 -20.05 50.29 Favored 'General case' 1 C--N 1.479 6.204 0 C-N-CA 126.885 2.074 . . . . 0.0 112.898 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.41 -33.41 19.1 Favored 'General case' 1 C--N 1.466 5.672 0 C-N-CA 126.71 2.004 . . . . 0.0 112.508 170.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -71.12 -39.28 73.82 Favored 'Isoleucine or valine' 3 N--CA 1.599 7.018 0 C-N-CA 127.725 2.41 . . . . 0.0 111.483 175.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -64.13 -13.77 50.35 Favored 'General case' 1 N--CA 1.592 6.67 0 C-N-CA 129.957 3.303 . . . . 0.0 115.347 175.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.99 -29.38 25.08 Favored 'General case' 0 CA--C 1.627 3.914 0 C-N-CA 126.79 2.036 . . . . 0.0 112.336 165.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.481 ' HA ' HG11 ' A' ' 88' ' ' VAL . 2.1 mt -92.37 -32.8 14.83 Favored 'General case' 2 C--N 1.462 5.48 0 N-CA-C 116.799 2.148 . . . . 0.0 116.799 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -90.35 -35.91 14.95 Favored 'General case' 1 N--CA 1.547 4.383 0 C-N-CA 126.958 2.103 . . . . 0.0 113.998 -174.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -78.88 -26.06 43.89 Favored 'General case' 2 CA--C 1.636 4.262 0 C-N-CA 128.414 2.685 . . . . 0.0 116.73 -178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.07 -23.21 64.93 Favored 'General case' 2 C--N 1.464 5.546 0 CA-C-N 119.491 1.041 . . . . 0.0 113.747 175.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 84.23 -34.69 3.03 Favored Glycine 1 C--N 1.426 5.551 0 N-CA-C 121.747 3.459 . . . . 0.0 121.747 168.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.6 t -153.93 -34.39 0.11 Allowed 'General case' 0 N--CA 1.532 3.642 0 C-N-CA 127.044 2.138 . . . . 0.0 111.996 -169.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.295 39.1 mm -128.99 110.0 19.94 Favored 'Isoleucine or valine' 2 C--N 1.442 4.608 0 C-N-CA 125.008 1.323 . . . . 0.0 109.555 -175.302 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.481 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.274 0.0 OUTLIER -119.98 126.21 75.05 Favored 'Isoleucine or valine' 0 N--CA 1.528 3.47 0 O-C-N 125.747 1.904 . . . . 0.0 113.569 -179.402 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.368 38.2 ptt180 -113.88 106.37 14.37 Favored 'General case' 1 N--CA 1.561 5.105 0 C-N-CA 126.143 1.777 . . . . 0.0 114.91 -176.587 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.8 140.54 34.94 Favored 'General case' 0 N--CA 1.533 3.687 0 C-N-CA 127.103 2.161 . . . . 0.0 114.389 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -120.87 111.16 17.19 Favored 'General case' 0 C--O 1.298 3.651 0 C-N-CA 126.587 1.955 . . . . 0.0 111.049 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 33.5 m -106.51 161.23 5.77 Favored 'Isoleucine or valine' 2 N--CA 1.57 5.535 0 O-C-N 126.659 2.474 . . . . 0.0 115.577 -175.038 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.277 19.0 ptp -120.78 122.06 39.53 Favored 'General case' 1 N--CA 1.57 5.556 0 C-N-CA 127.525 2.33 . . . . 0.0 114.087 -176.095 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -124.09 144.57 49.79 Favored 'General case' 0 N--CA 1.538 3.945 0 C-N-CA 127.659 2.384 . . . . 0.0 110.651 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -84.76 142.22 29.97 Favored 'General case' 1 N--CA 1.549 4.524 0 C-N-CA 127.07 2.148 . . . . 0.0 114.732 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.29 51.9 pttt -56.11 128.77 72.54 Favored Pre-proline 2 CA--C 1.674 5.743 0 C-N-CA 128.973 2.909 . . . . 0.0 117.098 -178.915 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -69.61 150.52 69.23 Favored 'Trans proline' 3 C--N 1.55 11.181 0 C-N-CA 124.044 3.162 . . . . 0.0 117.041 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -68.48 139.44 45.02 Favored 'Trans proline' 3 C--N 1.554 11.377 0 C-N-CA 124.008 3.139 . . . . 0.0 116.745 177.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.432 4.178 0 C-N-CA 126.551 1.94 . . . . 0.0 112.861 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.473 15.8 m . . . . . 0 N--CA 1.531 3.607 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.478 7.8 p -138.58 89.96 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.602 2.955 0 CA-C-N 112.423 -2.171 . . . . 0.0 109.732 167.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 75.7 m -91.94 41.73 1.08 Allowed 'General case' 2 N--CA 1.559 4.99 0 C-N-CA 128.205 2.602 . . . . 0.0 113.08 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -89.48 138.42 31.47 Favored 'General case' 1 C--N 1.43 4.109 0 C-N-CA 129.07 2.948 . . . . 0.0 113.905 -170.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.331 17.1 ptm180 -114.17 -37.47 4.41 Favored 'General case' 0 N--CA 1.532 3.644 0 C-N-CA 127.541 2.336 . . . . 0.0 111.608 167.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 1.598 ' CB ' ' CA ' ' B' ' 6' ' ' ILE 0.705 6.6 tp 59.7 -58.26 0.14 Allowed 'Isoleucine or valine' 2 N--CA 1.572 5.665 0 C-N-CA 130.771 3.628 . . . . 0.0 119.167 174.177 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.291 67.6 m -40.25 82.89 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.705 0 C-N-CA 128.615 2.766 . . . . 0.0 117.5 -172.621 . . . . . . . . 3 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.528 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 69.7 m -132.0 -161.75 1.16 Allowed 'General case' 1 CA--C 1.635 4.243 0 C-N-CA 128.781 2.832 . . . . 0.0 111.284 -174.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 C--N 1.445 4.725 0 C-N-CA 126.76 2.024 . . . . 0.0 108.5 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.49 0 CA-C-O 119.523 -0.598 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.34 143.87 39.93 Favored 'General case' 1 N--CA 1.539 4.005 0 C-N-CA 126.52 1.928 . . . . 0.0 113.581 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . 0.37 26.5 ptt? -102.42 165.25 11.21 Favored 'General case' 2 CA--C 1.634 4.197 0 C-N-CA 125.989 1.715 . . . . 0.0 113.319 173.768 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -120.2 177.75 4.9 Favored 'General case' 1 N--CA 1.552 4.629 0 C-N-CA 129.16 2.984 . . . . 0.0 111.107 -174.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.346 26.2 ptt? -71.79 157.8 37.25 Favored 'General case' 3 C--N 1.449 4.921 0 C-N-CA 126.906 2.082 . . . . 0.0 114.87 179.823 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.372 10.8 pt-20 -116.12 120.17 38.18 Favored 'General case' 1 N--CA 1.546 4.37 0 C-N-CA 126.171 1.788 . . . . 0.0 114.562 -169.277 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -104.03 141.24 36.54 Favored 'General case' 1 N--CA 1.542 4.146 0 C-N-CA 126.186 1.794 . . . . 0.0 112.833 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -126.79 127.35 44.89 Favored 'General case' 1 C--N 1.428 4.021 0 O-C-N 124.617 1.198 . . . . 0.0 111.353 -176.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.304 11.4 pt-20 -103.62 109.94 21.81 Favored 'General case' 0 C--N 1.42 3.654 0 C-N-CA 126.33 1.852 . . . . 0.0 112.514 174.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.4 mt -112.36 138.66 40.56 Favored 'Isoleucine or valine' 2 N--CA 1.551 4.602 0 C-N-CA 125.116 1.366 . . . . 0.0 109.424 -178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -119.53 123.68 44.57 Favored 'General case' 1 N--CA 1.54 4.041 0 C-N-CA 126.433 1.893 . . . . 0.0 108.811 176.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -113.77 148.99 35.53 Favored 'General case' 0 N--CA 1.523 3.21 0 C-N-CA 128.123 2.569 . . . . 0.0 113.783 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -106.29 125.59 51.18 Favored 'General case' 0 N--CA 1.535 3.803 0 C-N-CA 126.96 2.104 . . . . 0.0 106.645 168.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -50.97 114.75 1.26 Allowed 'General case' 1 N--CA 1.566 5.356 0 C-N-CA 129.39 3.076 . . . . 0.0 113.298 -175.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -61.29 169.03 10.64 Favored Glycine 3 N--CA 1.56 6.924 0 N-CA-C 118.587 2.195 . . . . 0.0 118.587 -176.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.53 -33.29 73.85 Favored 'General case' 1 N--CA 1.58 6.041 0 C-N-CA 127.381 2.272 . . . . 0.0 115.205 -178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.1 p -103.09 -16.82 15.65 Favored 'General case' 2 CA--C 1.631 4.065 0 C-N-CA 127.381 2.272 . . . . 0.0 113.796 174.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.24 60.61 0.44 Allowed Glycine 1 C--N 1.447 6.733 0 C-N-CA 126.29 1.9 . . . . 0.0 111.294 -176.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.482 2.7 mm? 66.34 -67.46 0.15 Allowed 'General case' 2 C--N 1.449 4.931 0 C-N-CA 130.31 3.444 . . . . 0.0 116.466 -174.31 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 150.23 -70.94 0.3 Allowed Glycine 1 C--N 1.429 5.723 0 C-N-CA 125.52 1.533 . . . . 0.0 111.434 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -58.96 167.01 1.76 Allowed 'General case' 1 N--CA 1.566 5.328 0 C-N-CA 131.7 4.0 . . . . 0.0 112.8 -165.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.579 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 69.3 m -129.94 136.28 49.29 Favored 'General case' 1 C--N 1.435 4.322 0 CA-C-N 119.312 0.96 . . . . 0.0 112.547 175.002 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.641 2.3 pp -116.59 124.72 73.04 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.084 0 N-CA-C 119.648 3.203 . . . . 0.0 119.648 -176.927 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.65 118.4 36.7 Favored 'General case' 1 C--N 1.435 4.325 0 CA-C-N 112.993 -1.912 . . . . 0.0 111.795 -177.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -146.85 163.1 28.6 Favored Glycine 0 C--O 1.29 3.648 0 CA-C-N 113.677 -1.601 . . . . 0.0 114.186 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.44 123.93 0.82 Allowed Glycine 1 C--N 1.412 4.762 0 N-CA-C 119.848 2.699 . . . . 0.0 119.848 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.265 11.8 p -99.9 -31.13 11.64 Favored 'General case' 1 N--CA 1.553 4.701 0 C-N-CA 125.579 1.551 . . . . 0.0 112.241 159.431 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -112.75 -36.08 5.28 Favored 'General case' 1 C--N 1.439 4.485 0 C-N-CA 125.405 1.482 . . . . 0.0 113.338 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -101.53 115.59 64.76 Favored Pre-proline 2 C--N 1.445 4.743 0 C-N-CA 126.785 2.034 . . . . 0.0 114.775 -175.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.511 ' HB3' ' H ' ' A' ' 34' ' ' ASP . 4.1 Cg_exo -73.75 166.67 29.16 Favored 'Trans proline' 3 C--N 1.546 10.921 0 C-N-CA 124.02 3.147 . . . . 0.0 116.989 174.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -125.53 -44.18 1.85 Allowed 'General case' 1 C--N 1.44 4.522 0 C-N-CA 126.891 2.076 . . . . 0.0 111.648 171.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.294 4.0 tp -113.92 -27.97 2.55 Favored 'Isoleucine or valine' 1 CA--C 1.653 4.927 0 C-N-CA 127.426 2.291 . . . . 0.0 112.902 -170.743 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.39 68.4 0.05 OUTLIER Glycine 0 C--N 1.391 3.61 0 C-N-CA 127.967 2.698 . . . . 0.0 112.633 -177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.511 ' H ' ' HB3' ' A' ' 30' ' ' PRO 0.467 8.5 m-20 65.34 76.77 0.32 Allowed 'General case' 2 N--CA 1.563 5.175 0 C-N-CA 130.563 3.545 . . . . 0.0 115.335 -177.805 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -100.11 121.8 52.6 Favored Pre-proline 1 CA--C 1.68 5.956 0 C-N-CA 126.914 2.086 . . . . 0.0 111.931 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -76.97 -32.97 2.99 Favored 'Trans proline' 3 C--N 1.552 11.253 0 C-N-CA 123.971 3.114 . . . . 0.0 118.732 178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 t -94.23 153.81 17.87 Favored 'General case' 2 C--N 1.443 4.657 0 C-N-CA 126.814 2.046 . . . . 0.0 112.785 -175.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.302 0.7 OUTLIER -92.85 116.07 33.12 Favored 'Isoleucine or valine' 3 C--N 1.451 4.985 0 C-N-CA 125.498 1.519 . . . . 0.0 109.799 -178.474 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -122.38 147.94 45.67 Favored 'General case' 0 N--CA 1.538 3.955 0 C-N-CA 129.742 3.217 . . . . 0.0 111.846 -169.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.2 mm -88.49 142.52 12.8 Favored 'Isoleucine or valine' 2 C--N 1.45 4.951 0 C-N-CA 125.517 1.527 . . . . 0.0 109.819 174.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.3 17.8 p -144.32 -27.15 0.51 Allowed 'General case' 1 N--CA 1.557 4.893 0 C-N-CA 127.182 2.193 . . . . 0.0 113.206 -178.867 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.579 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.292 48.4 tptt -122.68 123.7 41.72 Favored 'General case' 1 C--N 1.468 5.749 0 C-N-CA 123.968 0.907 . . . . 0.0 113.155 178.752 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.256 49.7 mm -128.66 129.56 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.62 3.669 0 C-N-CA 127.222 2.209 . . . . 0.0 108.154 172.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.533 ' CB ' ' CA ' ' A' ' 44' ' ' ILE 0.264 1.4 mp -84.96 131.99 47.19 Favored Pre-proline 2 CA--C 1.682 6.044 0 C-N-CA 128.752 2.821 . . . . 0.0 110.349 172.127 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.29 -19.46 62.06 Favored 'Trans proline' 3 C--N 1.541 10.672 0 C-N-CA 123.962 3.108 . . . . 0.0 117.32 176.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.84 36.51 2.33 Favored Glycine 1 C--N 1.431 5.81 0 CA-C-O 117.83 -1.539 . . . . 0.0 116.396 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.51 -178.56 42.57 Favored Glycine 3 C--N 1.447 6.729 0 C-N-CA 124.94 1.257 . . . . 0.0 115.813 173.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.0 -38.48 27.44 Favored 'General case' 1 N--CA 1.542 4.151 0 C-N-CA 128.292 2.637 . . . . 0.0 115.478 -177.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.33 -21.96 38.84 Favored 'General case' 2 C--N 1.446 4.802 0 C-N-CA 126.554 1.941 . . . . 0.0 115.879 176.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -86.46 -43.24 12.94 Favored 'General case' 1 C--N 1.445 4.728 0 C-N-CA 127.313 2.245 . . . . 0.0 113.65 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -90.69 -54.6 3.91 Favored 'General case' 2 C--N 1.45 4.946 0 C-N-CA 127.169 2.188 . . . . 0.0 114.852 178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -90.65 -31.24 16.71 Favored 'General case' 1 C--N 1.458 5.313 0 N-CA-C 117.224 2.305 . . . . 0.0 117.224 -174.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.56 -52.61 2.79 Favored Glycine 2 C--N 1.444 6.534 0 N-CA-C 117.069 1.588 . . . . 0.0 117.069 -175.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.577 63.7 mtp180 91.53 55.91 0.0 OUTLIER 'General case' 2 N--CA 1.574 5.755 0 C-N-CA 130.866 3.666 . . . . 0.0 116.505 -178.832 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.76 131.89 54.66 Favored 'General case' 0 C--N 1.418 3.545 0 C-N-CA 128.06 2.544 . . . . 0.0 111.169 170.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -111.2 152.82 26.64 Favored 'General case' 0 N--CA 1.528 3.446 0 C-N-CA 127.347 2.259 . . . . 0.0 110.581 171.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.7 p -55.4 -28.79 22.8 Favored 'Isoleucine or valine' 2 N--CA 1.563 5.206 0 C-N-CA 128.938 2.895 . . . . 0.0 116.06 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.291 3.3 p-10 -91.51 8.62 35.6 Favored 'General case' 1 CA--C 1.655 5.007 0 C-N-CA 128.663 2.785 . . . . 0.0 113.829 178.099 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.263 1.6 m-20 -86.18 -31.44 21.76 Favored 'General case' 2 C--N 1.49 6.716 0 N-CA-C 116.238 1.94 . . . . 0.0 116.238 -179.22 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.3 m 45.89 119.74 0.0 OUTLIER 'General case' 2 N--CA 1.594 6.735 0 C-N-CA 128.801 2.84 . . . . 0.0 116.451 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.517 HG21 HG13 ' A' ' 64' ' ' VAL 0.252 14.9 mt -84.46 129.78 37.09 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.871 0 C-N-CA 124.869 1.268 . . . . 0.0 110.718 -175.498 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.266 1.6 pt? -95.98 -46.23 6.6 Favored 'General case' 1 C--N 1.431 4.143 0 O-C-N 125.12 1.512 . . . . 0.0 112.327 168.566 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -132.21 136.15 46.82 Favored 'General case' 1 C--N 1.446 4.789 0 O-C-N 124.986 1.429 . . . . 0.0 113.035 -176.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.517 HG13 HG21 ' A' ' 61' ' ' ILE 0.459 1.4 m -121.29 139.45 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.532 3.638 0 C-N-CA 124.382 1.073 . . . . 0.0 111.958 172.433 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 70.13 -1.4 2.44 Favored 'General case' 2 N--CA 1.594 6.731 0 C-N-CA 128.216 2.607 . . . . 0.0 115.191 177.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.418 46.2 mt-10 89.11 8.2 0.11 Allowed 'General case' 3 N--CA 1.586 6.355 0 C-N-CA 131.135 3.774 . . . . 0.0 112.44 -161.012 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.383 30.1 m -97.24 152.33 4.03 Favored 'Isoleucine or valine' 2 C--N 1.458 5.308 0 C-N-CA 127.993 2.517 . . . . 0.0 113.92 179.08 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.473 4.4 p30 -81.85 97.99 8.29 Favored 'General case' 0 C--N 1.412 3.305 0 C-N-CA 127.415 2.286 . . . . 0.0 115.684 -173.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.373 0.9 OUTLIER -106.61 9.2 9.47 Favored 'Isoleucine or valine' 1 CA--C 1.633 4.138 0 C-N-CA 128.252 2.621 . . . . 0.0 113.197 -178.611 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -65.1 -23.66 67.21 Favored 'General case' 1 N--CA 1.574 5.757 0 C-N-CA 127.318 2.247 . . . . 0.0 113.843 173.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -154.61 84.95 1.11 Allowed 'General case' 1 C--N 1.458 5.302 0 C-N-CA 129.348 3.059 . . . . 0.0 110.052 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.537 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.267 32.6 m -143.68 171.4 8.23 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.212 0 C-N-CA 126.54 1.936 . . . . 0.0 109.236 174.413 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -82.3 162.78 22.15 Favored 'General case' 1 N--CA 1.563 5.224 0 C-N-CA 127.755 2.422 . . . . 0.0 109.634 167.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.281 50.7 p-80 -51.64 -50.67 59.85 Favored 'General case' 4 N--CA 1.605 7.306 0 C-N-CA 124.637 1.175 . . . . 0.0 113.489 178.103 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.1 m -59.13 -31.26 68.79 Favored 'General case' 2 C--N 1.442 4.603 0 C-N-CA 127.814 2.446 . . . . 0.0 114.209 177.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.12 -21.86 49.74 Favored 'General case' 1 C--N 1.475 6.044 0 C-N-CA 126.824 2.049 . . . . 0.0 113.178 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.61 -29.71 17.62 Favored 'General case' 1 C--N 1.469 5.778 0 C-N-CA 126.037 1.735 . . . . 0.0 113.32 171.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 44.5 t -73.09 -40.19 58.1 Favored 'Isoleucine or valine' 3 N--CA 1.597 6.903 0 C-N-CA 126.877 2.071 . . . . 0.0 111.18 174.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -67.34 -17.6 64.82 Favored 'General case' 1 N--CA 1.596 6.84 0 C-N-CA 128.544 2.737 . . . . 0.0 115.479 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.29 -28.81 47.62 Favored 'General case' 0 CA--C 1.62 3.655 0 C-N-CA 126.845 2.058 . . . . 0.0 111.207 166.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.468 ' HA ' HG21 ' A' ' 88' ' ' VAL 0.346 15.8 mt -92.84 -31.37 15.02 Favored 'General case' 1 C--N 1.471 5.881 0 N-CA-C 117.962 2.578 . . . . 0.0 117.962 -179.739 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -87.7 -34.54 18.36 Favored 'General case' 1 N--CA 1.541 4.123 0 C-N-CA 127.642 2.377 . . . . 0.0 114.037 175.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.292 39.4 mt-10 -86.41 -24.35 25.76 Favored 'General case' 2 N--CA 1.594 6.741 0 N-CA-C 119.965 3.321 . . . . 0.0 119.965 -177.934 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.442 ' HB3' HG23 ' A' ' 88' ' ' VAL . . . -57.7 -23.32 51.1 Favored 'General case' 3 N--CA 1.594 6.725 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.31 -34.81 5.47 Favored Glycine 1 C--N 1.423 5.382 0 N-CA-C 119.804 2.681 . . . . 0.0 119.804 166.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.4 m -169.8 -34.86 0.02 OUTLIER 'General case' 1 N--CA 1.557 4.908 0 C-N-CA 128.625 2.77 . . . . 0.0 112.439 -171.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.286 24.1 mm -121.52 108.65 22.8 Favored 'Isoleucine or valine' 1 C--N 1.441 4.578 0 C-N-CA 125.86 1.664 . . . . 0.0 108.865 -174.159 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 81' ' ' LEU 0.315 0.3 OUTLIER -118.93 119.68 61.69 Favored 'Isoleucine or valine' 0 CA--C 1.592 2.561 0 CA-C-N 112.32 -2.218 . . . . 0.0 113.369 -176.46 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.415 34.2 ptt180 -107.96 131.0 55.01 Favored 'General case' 1 N--CA 1.554 4.774 0 C-N-CA 126.524 1.93 . . . . 0.0 114.822 -178.629 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.5 pp -125.88 141.53 51.94 Favored 'General case' 0 N--CA 1.535 3.803 0 C-N-CA 128.464 2.706 . . . . 0.0 113.731 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -121.98 112.08 17.85 Favored 'General case' 1 C--O 1.315 4.544 0 C-N-CA 126.982 2.113 . . . . 0.0 110.818 177.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 30.1 m -106.59 159.85 6.27 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.382 0 O-C-N 126.818 2.574 . . . . 0.0 114.765 -176.407 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.292 25.7 ptt? -126.17 115.35 19.64 Favored 'General case' 1 N--CA 1.568 5.433 0 C-N-CA 127.734 2.413 . . . . 0.0 114.007 -176.467 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.334 16.7 ptm180 -125.9 125.38 42.7 Favored 'General case' 1 N--CA 1.546 4.337 0 C-N-CA 126.923 2.089 . . . . 0.0 112.271 178.411 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -71.36 150.89 44.62 Favored 'General case' 1 N--CA 1.56 5.04 0 N-CA-C 117.303 2.334 . . . . 0.0 117.303 -175.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -61.51 139.27 95.03 Favored Pre-proline 2 CA--C 1.675 5.77 0 C-N-CA 129.722 3.209 . . . . 0.0 115.979 -179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.94 -41.7 66.03 Favored 'Trans proline' 3 C--N 1.553 11.298 0 C-N-CA 124.435 3.424 . . . . 0.0 119.357 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -68.12 140.27 48.98 Favored 'Trans proline' 3 C--N 1.564 11.904 0 C-N-CA 123.614 2.876 . . . . 0.0 116.934 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.433 4.201 0 C-N-CA 126.643 1.977 . . . . 0.0 112.875 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.495 12.7 m . . . . . 0 N--CA 1.526 3.351 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.27 4.7 m -110.87 -6.27 11.39 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.314 0 C-N-CA 128.21 2.604 . . . . 0.0 112.309 174.827 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p -142.13 12.9 2.02 Favored 'General case' 2 N--CA 1.562 5.157 0 C-N-CA 127.014 2.126 . . . . 0.0 114.865 -169.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -80.28 134.32 36.07 Favored 'General case' 1 C--N 1.44 4.51 0 C-N-CA 127.46 2.304 . . . . 0.0 115.171 -171.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -137.56 80.03 1.78 Allowed 'General case' 0 C--O 1.297 3.568 0 C-N-CA 128.53 2.732 . . . . 0.0 106.86 163.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.59 1.4 tt -100.83 72.22 0.44 Allowed 'Isoleucine or valine' 2 C--N 1.452 5.041 0 CA-C-O 122.893 1.33 . . . . 0.0 113.892 -179.517 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 17.3 t -107.37 29.94 6.69 Favored 'General case' 2 CA--C 1.662 5.288 0 CA-C-N 111.619 -2.537 . . . . 0.0 110.801 173.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.2 m -98.63 171.64 8.0 Favored 'General case' 1 C--N 1.429 4.037 0 C-N-CA 128.092 2.557 . . . . 0.0 114.911 -171.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 t . . . . . 2 N--CA 1.546 4.335 0 C-N-CA 128.077 2.551 . . . . 0.0 104.787 176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.547 0 CA-C-O 119.356 -0.691 . . . . 0.0 112.909 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -109.5 135.19 50.9 Favored 'General case' 0 C--N 1.424 3.82 0 C-N-CA 126.664 1.986 . . . . 0.0 112.908 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -103.39 136.57 42.9 Favored 'General case' 2 N--CA 1.545 4.295 0 C-N-CA 126.137 1.775 . . . . 0.0 113.895 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.381 10.9 pt-20 -114.06 154.83 27.04 Favored 'General case' 0 N--CA 1.537 3.878 0 C-N-CA 126.78 2.032 . . . . 0.0 115.684 -175.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.314 22.3 ptp -74.79 166.42 23.64 Favored 'General case' 2 N--CA 1.551 4.614 0 C-N-CA 127.832 2.453 . . . . 0.0 115.553 -177.679 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.319 10.1 pt-20 -119.86 123.45 43.65 Favored 'General case' 1 N--CA 1.544 4.241 0 C-N-CA 127.425 2.29 . . . . 0.0 112.868 -175.223 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -103.4 143.49 32.63 Favored 'General case' 1 N--CA 1.546 4.343 0 C-N-CA 125.902 1.681 . . . . 0.0 113.656 -176.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -122.74 134.52 54.44 Favored 'General case' 1 N--CA 1.551 4.586 0 C-N-CA 126.041 1.736 . . . . 0.0 113.33 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.309 12.3 pt-20 -110.42 109.72 20.21 Favored 'General case' 0 C--N 1.425 3.869 0 C-N-CA 125.829 1.652 . . . . 0.0 112.131 173.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -112.07 138.22 41.79 Favored 'Isoleucine or valine' 1 N--CA 1.556 4.828 0 C-N-CA 125.165 1.386 . . . . 0.0 109.59 -178.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.445 HG23 ' HB3' ' A' ' 89' ' ' ARG . 2.0 m -116.76 118.88 33.75 Favored 'General case' 0 C--N 1.418 3.577 0 C-N-CA 125.838 1.655 . . . . 0.0 108.434 174.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -108.25 145.93 33.61 Favored 'General case' 0 N--CA 1.521 3.106 0 C-N-CA 127.608 2.363 . . . . 0.0 112.896 178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -102.94 125.0 49.52 Favored 'General case' 0 C--N 1.421 3.677 0 C-N-CA 125.769 1.628 . . . . 0.0 107.365 168.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.16 114.64 2.72 Favored 'General case' 1 N--CA 1.561 5.118 0 C-N-CA 128.119 2.568 . . . . 0.0 113.933 -170.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.408 ' H ' HD13 ' A' ' 19' ' ' LEU . . . -69.17 156.9 53.57 Favored Glycine 2 N--CA 1.549 6.221 0 CA-C-N 113.009 -1.905 . . . . 0.0 117.585 -177.667 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.28 30.3 p30 -66.18 -31.92 73.04 Favored 'General case' 1 N--CA 1.576 5.873 0 C-N-CA 127.561 2.344 . . . . 0.0 116.249 -179.223 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.2 m -96.21 -19.55 19.24 Favored 'General case' 0 N--CA 1.537 3.913 0 C-N-CA 127.475 2.31 . . . . 0.0 113.324 174.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.81 60.5 0.43 Allowed Glycine 1 C--N 1.453 7.073 0 C-N-CA 125.992 1.758 . . . . 0.0 111.532 -178.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.408 HD13 ' H ' ' A' ' 15' ' ' GLY 0.528 2.8 mm? 66.82 -89.64 0.03 OUTLIER 'General case' 1 C--N 1.447 4.828 0 C-N-CA 129.999 3.32 . . . . 0.0 115.591 -173.44 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.442 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . 151.81 39.76 0.03 OUTLIER Glycine 1 C--N 1.401 4.173 0 C-N-CA 125.633 1.587 . . . . 0.0 114.224 -178.524 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -154.43 168.56 26.28 Favored 'General case' 2 C--N 1.438 4.449 0 C-N-CA 129.124 2.97 . . . . 0.0 108.533 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.558 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 66.1 m -135.17 146.28 48.58 Favored 'General case' 2 C--N 1.444 4.686 0 C-N-CA 123.993 0.917 . . . . 0.0 111.251 166.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.487 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.557 2.2 pp -118.84 123.58 71.74 Favored 'Isoleucine or valine' 2 N--CA 1.558 4.945 0 N-CA-C 119.519 3.155 . . . . 0.0 119.519 -175.223 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.502 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -102.71 116.69 33.07 Favored 'General case' 1 C--N 1.438 4.453 0 CA-C-N 113.204 -1.816 . . . . 0.0 110.28 -179.71 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.78 154.9 24.97 Favored Glycine 1 N--CA 1.518 4.161 0 C-N-CA 125.718 1.628 . . . . 0.0 113.284 -173.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.02 149.93 7.53 Favored Glycine 2 N--CA 1.521 4.331 0 N-CA-C 118.263 2.065 . . . . 0.0 118.263 -170.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.251 8.5 p -104.74 -44.66 4.8 Favored 'General case' 1 N--CA 1.561 5.093 0 C-N-CA 126.003 1.721 . . . . 0.0 113.424 165.991 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -99.47 -31.99 11.36 Favored 'General case' 2 C--N 1.432 4.16 0 C-N-CA 126.556 1.943 . . . . 0.0 113.145 177.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -100.28 113.98 65.56 Favored Pre-proline 2 C--N 1.447 4.814 0 C-N-CA 127.102 2.161 . . . . 0.0 112.3 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -72.98 162.99 39.57 Favored 'Trans proline' 3 C--N 1.545 10.869 0 C-N-CA 123.841 3.027 . . . . 0.0 117.107 177.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 47.7 t60 -108.23 -57.36 2.13 Favored 'General case' 0 C--N 1.423 3.765 0 C-N-CA 126.765 2.026 . . . . 0.0 111.244 169.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.317 3.6 tp -119.58 7.0 6.56 Favored 'Isoleucine or valine' 1 CA--C 1.671 5.631 0 C-N-CA 126.646 1.979 . . . . 0.0 114.429 -167.55 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 151.66 -65.34 0.36 Allowed Glycine 0 C--N 1.394 3.797 0 C-N-CA 126.864 2.173 . . . . 0.0 111.694 -175.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -163.49 84.91 0.49 Allowed 'General case' 1 N--CA 1.542 4.164 1 C-N-CA 131.934 4.094 . . . . 0.0 107.52 176.392 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -100.83 116.51 64.02 Favored Pre-proline 2 CA--C 1.675 5.777 0 C-N-CA 125.525 1.53 . . . . 0.0 112.277 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -77.89 -30.83 3.44 Favored 'Trans proline' 3 C--N 1.549 11.088 0 C-N-CA 123.993 3.129 . . . . 0.0 118.405 177.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 78.0 p -92.89 153.88 18.54 Favored 'General case' 2 N--CA 1.552 4.654 0 C-N-CA 126.916 2.086 . . . . 0.0 114.502 -176.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.302 0.6 OUTLIER -94.5 111.78 25.99 Favored 'Isoleucine or valine' 3 C--N 1.451 4.991 0 C-N-CA 125.413 1.485 . . . . 0.0 109.594 -177.974 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -119.76 147.0 45.15 Favored 'General case' 1 N--CA 1.54 4.038 0 C-N-CA 129.886 3.274 . . . . 0.0 111.94 -171.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -86.72 138.58 18.79 Favored 'Isoleucine or valine' 2 C--N 1.448 4.852 0 C-N-CA 125.755 1.622 . . . . 0.0 109.886 175.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -141.72 -33.99 0.49 Allowed 'General case' 0 CA--C 1.624 3.807 0 C-N-CA 127.53 2.332 . . . . 0.0 109.443 -171.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.558 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.275 51.3 tptt -121.84 128.09 51.25 Favored 'General case' 1 C--N 1.464 5.561 0 C-N-CA 124.344 1.058 . . . . 0.0 113.163 179.721 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.649 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 46.1 mm -127.87 124.3 62.68 Favored 'Isoleucine or valine' 0 C--N 1.414 3.411 0 C-N-CA 127.425 2.29 . . . . 0.0 108.094 172.27 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.291 2.9 mp -82.39 131.24 56.28 Favored Pre-proline 2 CA--C 1.678 5.893 0 C-N-CA 127.158 2.183 . . . . 0.0 110.562 173.407 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.91 -19.28 63.97 Favored 'Trans proline' 3 C--N 1.539 10.564 0 C-N-CA 124.197 3.265 . . . . 0.0 117.485 179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -130.86 39.16 1.82 Allowed Glycine 1 C--N 1.429 5.731 0 CA-C-O 117.989 -1.451 . . . . 0.0 115.885 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -94.78 -177.69 38.11 Favored Glycine 2 C--N 1.443 6.499 0 C-N-CA 125.34 1.447 . . . . 0.0 116.569 174.752 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.84 -38.07 28.88 Favored 'General case' 1 N--CA 1.54 4.044 0 C-N-CA 128.748 2.819 . . . . 0.0 115.384 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.5 -24.08 36.92 Favored 'General case' 2 N--CA 1.555 4.811 0 C-N-CA 126.774 2.03 . . . . 0.0 116.073 176.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.49 -41.68 16.32 Favored 'General case' 1 C--N 1.444 4.692 0 C-N-CA 127.344 2.257 . . . . 0.0 113.468 178.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -91.08 -56.58 3.11 Favored 'General case' 2 C--N 1.448 4.872 0 C-N-CA 127.241 2.216 . . . . 0.0 115.06 177.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.76 -32.7 16.02 Favored 'General case' 2 C--N 1.459 5.345 0 N-CA-C 117.609 2.448 . . . . 0.0 117.609 -173.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.23 -51.08 3.43 Favored Glycine 2 C--N 1.439 6.276 0 N-CA-C 117.627 1.811 . . . . 0.0 117.627 -172.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.556 86.9 mtm180 90.74 52.62 0.0 OUTLIER 'General case' 2 N--CA 1.577 5.908 0 C-N-CA 130.666 3.586 . . . . 0.0 116.232 -178.479 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.14 130.23 55.69 Favored 'General case' 0 C--N 1.419 3.623 0 C-N-CA 127.909 2.484 . . . . 0.0 111.575 171.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -111.33 154.8 24.02 Favored 'General case' 0 N--CA 1.528 3.434 0 C-N-CA 127.673 2.389 . . . . 0.0 110.651 170.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . 0.252 4.2 p -56.26 -28.38 25.75 Favored 'Isoleucine or valine' 2 N--CA 1.559 5.002 0 C-N-CA 128.815 2.846 . . . . 0.0 116.302 -179.039 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -91.92 10.77 27.44 Favored 'General case' 1 CA--C 1.673 5.709 0 C-N-CA 128.627 2.771 . . . . 0.0 112.305 178.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.251 2.1 m-20 -89.22 -33.04 17.14 Favored 'General case' 2 C--N 1.486 6.514 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 179.652 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 49.2 m 44.37 118.77 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.812 0 C-N-CA 129.401 3.08 . . . . 0.0 116.751 177.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.4 mt -84.28 126.01 40.23 Favored 'Isoleucine or valine' 1 N--CA 1.563 5.176 0 C-N-CA 124.7 1.2 . . . . 0.0 110.192 -175.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.264 1.5 pt? -91.44 -44.19 9.27 Favored 'General case' 1 C--N 1.431 4.115 0 C-N-CA 125.098 1.359 . . . . 0.0 112.027 171.124 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -129.68 125.81 36.86 Favored 'General case' 1 C--N 1.449 4.916 0 O-C-N 125.252 1.595 . . . . 0.0 113.406 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 37.9 t -112.02 130.06 66.35 Favored 'Isoleucine or valine' 1 N--CA 1.586 6.345 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 -178.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.4 m120 71.77 -1.98 2.64 Favored 'General case' 3 N--CA 1.63 8.572 0 C-N-CA 128.577 2.751 . . . . 0.0 114.89 -176.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.395 47.4 mt-10 87.92 8.72 0.16 Allowed 'General case' 3 N--CA 1.583 6.182 0 C-N-CA 130.772 3.629 . . . . 0.0 111.73 -160.571 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.405 24.4 m -95.82 154.94 3.44 Favored 'Isoleucine or valine' 1 C--N 1.465 5.619 0 C-N-CA 127.191 2.196 . . . . 0.0 113.747 179.176 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.433 4.5 p-10 -81.88 98.56 8.58 Favored 'General case' 0 C--N 1.411 3.27 0 C-N-CA 127.177 2.191 . . . . 0.0 115.228 -173.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.423 28.1 m -94.63 -13.97 8.19 Favored 'Isoleucine or valine' 1 N--CA 1.549 4.514 0 CA-C-N 113.084 -1.871 . . . . 0.0 115.246 176.767 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.33 38.8 ptt180 -47.96 -21.89 0.51 Allowed 'General case' 2 N--CA 1.584 6.249 0 N-CA-C 118.383 2.734 . . . . 0.0 118.383 179.791 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -150.95 74.77 1.17 Allowed 'General case' 1 C--N 1.436 4.36 0 C-N-CA 128.644 2.777 . . . . 0.0 107.242 177.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.293 18.6 m -140.91 160.7 23.47 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.649 0 C-N-CA 127.158 2.183 . . . . 0.0 110.783 177.529 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -77.25 162.71 27.14 Favored 'General case' 1 N--CA 1.561 5.08 0 C-N-CA 126.737 2.015 . . . . 0.0 112.3 166.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -47.25 -57.98 4.6 Favored 'General case' 3 N--CA 1.575 5.814 0 C-N-CA 129.189 2.996 . . . . 0.0 112.676 174.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.1 m -61.0 -34.01 74.14 Favored 'General case' 2 C--N 1.453 5.101 0 C-N-CA 126.576 1.95 . . . . 0.0 113.543 177.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.63 -22.44 62.52 Favored 'General case' 2 C--N 1.456 5.227 0 C-N-CA 128.365 2.666 . . . . 0.0 114.384 175.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.31 -35.42 15.26 Favored 'General case' 1 C--N 1.463 5.507 0 C-N-CA 126.393 1.877 . . . . 0.0 112.712 174.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 65.5 t -73.15 -41.95 58.66 Favored 'Isoleucine or valine' 3 N--CA 1.596 6.833 0 C-N-CA 127.298 2.239 . . . . 0.0 111.5 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -59.15 -29.62 67.56 Favored 'General case' 2 N--CA 1.564 5.243 0 C-N-CA 128.719 2.808 . . . . 0.0 114.722 178.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.61 -28.23 65.76 Favored 'General case' 2 C--N 1.446 4.778 0 C-N-CA 127.252 2.221 . . . . 0.0 112.616 171.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.42 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.8 mt -91.11 -31.91 16.05 Favored 'General case' 2 C--N 1.452 5.05 0 C-N-CA 127.008 2.123 . . . . 0.0 113.6 178.764 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 61.7 mttm -83.46 -29.05 28.33 Favored 'General case' 0 C--N 1.427 3.942 0 C-N-CA 127.695 2.398 . . . . 0.0 113.832 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.387 10.1 pt-20 -70.36 -44.11 68.79 Favored 'General case' 2 N--CA 1.584 6.235 0 N-CA-C 118.437 2.755 . . . . 0.0 118.437 177.323 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.33 -20.77 66.55 Favored 'General case' 2 C--N 1.45 4.967 0 C-N-CA 125.843 1.657 . . . . 0.0 114.651 -176.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 71.23 -34.18 0.54 Allowed Glycine 1 C--N 1.425 5.475 0 N-CA-C 122.783 3.873 . . . . 0.0 122.783 169.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 m -143.41 -36.35 0.37 Allowed 'General case' 0 N--CA 1.516 2.831 0 C-N-CA 128.334 2.654 . . . . 0.0 112.703 -168.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.271 31.5 mm -133.38 109.49 13.69 Favored 'Isoleucine or valine' 2 C--N 1.446 4.798 0 C-N-CA 125.491 1.517 . . . . 0.0 109.246 -175.015 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.299 0.0 OUTLIER -118.41 115.72 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.526 3.354 0 O-C-N 125.694 1.871 . . . . 0.0 113.297 -179.374 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.445 ' HB3' HG23 ' A' ' 11' ' ' THR 0.393 38.0 ptt180 -107.29 105.13 14.94 Favored 'General case' 1 N--CA 1.562 5.155 0 C-N-CA 126.25 1.82 . . . . 0.0 115.182 -176.236 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.5 pp -102.84 143.47 32.41 Favored 'General case' 0 N--CA 1.533 3.694 0 C-N-CA 127.536 2.334 . . . . 0.0 114.224 -176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -121.88 111.83 17.58 Favored 'General case' 0 C--N 1.417 3.523 0 C-N-CA 126.722 2.009 . . . . 0.0 111.153 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.274 33.3 m -106.8 159.62 6.47 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.475 0 O-C-N 126.326 2.266 . . . . 0.0 115.147 -175.105 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.343 0.0 OUTLIER -126.82 112.2 15.09 Favored 'General case' 2 N--CA 1.554 4.757 0 C-N-CA 127.459 2.303 . . . . 0.0 113.68 -176.23 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . 0.355 15.4 ptm180 -119.38 127.91 53.57 Favored 'General case' 0 N--CA 1.534 3.747 0 C-N-CA 126.379 1.872 . . . . 0.0 112.789 179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -71.95 140.23 49.06 Favored 'General case' 1 N--CA 1.554 4.737 0 C-N-CA 127.384 2.274 . . . . 0.0 115.897 -177.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.293 0.6 OUTLIER -54.39 126.8 55.93 Favored Pre-proline 2 CA--C 1.67 5.59 0 C-N-CA 129.972 3.309 . . . . 0.0 116.414 -178.214 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -65.92 138.69 53.79 Favored 'Trans proline' 3 C--N 1.55 11.136 0 C-N-CA 124.187 3.258 . . . . 0.0 118.29 -174.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -71.95 -32.33 11.33 Favored 'Trans proline' 3 C--N 1.552 11.275 0 C-N-CA 123.956 3.104 . . . . 0.0 117.24 175.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.449 4.904 0 C-N-CA 126.673 1.989 . . . . 0.0 112.769 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.287 6.3 t . . . . . 0 N--CA 1.529 3.505 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.318 6.3 m -65.57 -26.41 39.05 Favored 'Isoleucine or valine' 1 N--CA 1.573 5.678 0 C-N-CA 129.729 3.212 . . . . 0.0 118.094 -175.007 . . . . . . . . 3 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 34.3 p -129.38 4.65 5.17 Favored 'General case' 2 N--CA 1.566 5.353 0 N-CA-C 115.611 1.708 . . . . 0.0 115.611 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.19 134.7 35.32 Favored 'General case' 1 C--N 1.431 4.139 0 C-N-CA 127.402 2.281 . . . . 0.0 115.081 -171.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -130.45 92.22 3.23 Favored 'General case' 0 C--N 1.41 3.22 0 C-N-CA 128.274 2.63 . . . . 0.0 107.42 166.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' A' ' 24' ' ' ALA 0.506 9.5 tp -107.62 42.97 0.21 Allowed 'Isoleucine or valine' 2 CA--C 1.637 4.301 0 CA-C-N 114.32 -1.309 . . . . 0.0 114.102 -177.86 . . . . . . . . 4 3 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 70.5 m -109.32 73.9 0.87 Allowed 'General case' 1 N--CA 1.542 4.17 0 C-N-CA 127.08 2.152 . . . . 0.0 110.103 171.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.487 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 68.5 m -136.98 -174.67 3.8 Favored 'General case' 2 N--CA 1.552 4.649 0 C-N-CA 127.334 2.254 . . . . 0.0 112.998 -173.196 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 2 C--N 1.451 5.001 0 C-N-CA 126.871 2.068 . . . . 0.0 107.302 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.461 0 CA-C-O 119.515 -0.603 . . . . 0.0 112.847 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.73 132.92 53.48 Favored 'General case' 0 C--N 1.425 3.874 0 C-N-CA 126.633 1.973 . . . . 0.0 112.689 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 46.1 mtt -105.35 123.44 47.87 Favored 'General case' 2 N--CA 1.546 4.35 0 C-N-CA 126.039 1.736 . . . . 0.0 114.295 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . 0.305 9.7 pt-20 -119.53 157.21 28.81 Favored 'General case' 0 N--CA 1.536 3.858 0 C-N-CA 128.094 2.558 . . . . 0.0 114.076 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.359 25.0 ptt? -71.89 154.55 41.17 Favored 'General case' 2 N--CA 1.556 4.856 0 C-N-CA 127.03 2.132 . . . . 0.0 114.889 -179.839 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' HG3' ' HG3' ' A' ' 94' ' ' ARG 0.391 10.4 pt-20 -115.06 119.81 37.73 Favored 'General case' 1 N--CA 1.542 4.156 0 C-N-CA 125.799 1.64 . . . . 0.0 114.843 -168.141 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -108.52 145.61 34.49 Favored 'General case' 0 N--CA 1.538 3.964 0 C-N-CA 126.439 1.895 . . . . 0.0 113.225 -177.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -124.52 130.9 53.32 Favored 'General case' 1 N--CA 1.543 4.203 0 C-N-CA 125.848 1.659 . . . . 0.0 113.182 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.301 11.8 pt-20 -106.46 109.24 21.11 Favored 'General case' 0 C--N 1.423 3.799 0 C-N-CA 125.765 1.626 . . . . 0.0 111.952 172.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . 0.258 6.9 mt -109.74 139.28 33.55 Favored 'Isoleucine or valine' 1 N--CA 1.555 4.813 0 O-C-N 124.477 1.111 . . . . 0.0 110.257 -178.925 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . 0.254 0.2 OUTLIER -110.72 120.15 41.47 Favored 'General case' 0 N--CA 1.533 3.702 0 C-N-CA 126.455 1.902 . . . . 0.0 112.456 171.5 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.1 mt -117.69 144.81 44.9 Favored 'General case' 0 C--N 1.402 2.868 0 C-N-CA 127.076 2.15 . . . . 0.0 112.793 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -97.44 124.92 41.8 Favored 'General case' 1 N--CA 1.543 4.18 0 C-N-CA 126.352 1.861 . . . . 0.0 108.09 172.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -56.86 108.0 0.46 Allowed 'General case' 2 N--CA 1.56 5.065 0 C-N-CA 128.384 2.673 . . . . 0.0 112.924 -173.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.76 150.58 43.2 Favored Glycine 2 N--CA 1.541 5.633 0 N-CA-C 118.601 2.2 . . . . 0.0 118.601 -172.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -81.56 -26.89 34.64 Favored 'General case' 1 N--CA 1.566 5.326 0 C-N-CA 127.454 2.302 . . . . 0.0 113.919 177.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.6 m -88.73 -21.26 23.94 Favored 'General case' 2 C--N 1.441 4.578 0 C-N-CA 127.032 2.133 . . . . 0.0 112.862 172.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.05 51.82 0.55 Allowed Glycine 1 C--N 1.452 7.006 0 C-N-CA 125.824 1.678 . . . . 0.0 114.048 173.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.517 3.7 mm? 65.07 -41.42 0.3 Allowed 'General case' 2 C--N 1.451 5.02 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 -179.253 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.06 25.29 6.51 Favored Glycine 2 N--CA 1.523 4.485 0 C-N-CA 125.613 1.578 . . . . 0.0 115.975 178.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -154.64 169.02 24.86 Favored 'General case' 1 C--N 1.44 4.534 0 C-N-CA 128.528 2.731 . . . . 0.0 109.505 177.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.588 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 58.8 m -135.02 144.12 47.15 Favored 'General case' 1 C--N 1.448 4.89 0 C-N-CA 124.089 0.956 . . . . 0.0 110.948 166.221 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.413 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.494 2.0 pp -120.68 129.0 76.1 Favored 'Isoleucine or valine' 2 N--CA 1.565 5.276 0 N-CA-C 119.23 3.048 . . . . 0.0 119.23 -175.361 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -100.65 118.23 36.37 Favored 'General case' 1 C--N 1.438 4.429 0 CA-C-N 113.2 -1.818 . . . . 0.0 111.853 -179.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.91 159.04 24.47 Favored Glycine 0 N--CA 1.512 3.753 0 C-N-CA 126.226 1.869 . . . . 0.0 112.967 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.86 120.87 0.66 Allowed Glycine 1 C--N 1.414 4.868 0 N-CA-C 120.19 2.836 . . . . 0.0 120.19 -176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.294 12.0 p -104.44 -37.42 7.19 Favored 'General case' 1 N--CA 1.555 4.817 0 O-C-N 125.757 1.504 . . . . 0.0 113.397 161.336 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -106.36 -35.65 7.07 Favored 'General case' 2 C--N 1.435 4.314 0 C-N-CA 125.286 1.435 . . . . 0.0 113.34 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -101.44 118.99 58.78 Favored Pre-proline 2 C--N 1.441 4.568 0 C-N-CA 127.135 2.174 . . . . 0.0 113.624 -178.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.448 ' HB2' ' HB2' ' B' ' 3' ' ' SER . 14.9 Cg_exo -66.3 151.25 83.82 Favored 'Trans proline' 3 C--N 1.552 11.274 0 C-N-CA 123.919 3.079 . . . . 0.0 117.409 176.057 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -105.13 -49.66 3.42 Favored 'General case' 1 CA--C 1.629 4.017 0 C-N-CA 128.395 2.678 . . . . 0.0 113.148 176.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.518 ' HA ' HG12 ' B' ' 1' ' ' VAL 0.348 2.7 pp -131.26 -51.76 0.88 Allowed 'Isoleucine or valine' 1 N--CA 1.573 5.69 0 C-N-CA 126.167 1.787 . . . . 0.0 114.212 -165.45 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.93 33.34 0.3 Allowed Glycine 0 N--CA 1.497 2.744 0 C-N-CA 128.827 3.108 . . . . 0.0 112.972 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.41 12.1 t70 80.42 72.5 0.03 OUTLIER 'General case' 2 N--CA 1.571 5.593 0 C-N-CA 130.736 3.614 . . . . 0.0 110.432 -177.861 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.69 126.14 56.97 Favored Pre-proline 1 CA--C 1.677 5.863 0 CA-C-N 112.215 -2.266 . . . . 0.0 114.272 -176.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -76.8 -28.68 6.13 Favored 'Trans proline' 3 C--N 1.553 11.318 0 C-N-CA 124.187 3.258 . . . . 0.0 118.112 175.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.0 m -91.74 152.65 20.08 Favored 'General case' 2 N--CA 1.557 4.896 0 C-N-CA 127.06 2.144 . . . . 0.0 114.009 -176.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.592 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.291 0.6 OUTLIER -92.66 119.46 40.3 Favored 'Isoleucine or valine' 3 C--N 1.452 5.052 0 C-N-CA 125.529 1.532 . . . . 0.0 110.142 -177.709 . . . . . . . . 5 4 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -121.36 155.1 35.51 Favored 'General case' 1 N--CA 1.546 4.335 0 C-N-CA 127.686 2.395 . . . . 0.0 112.183 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mm -90.44 141.7 14.0 Favored 'Isoleucine or valine' 1 C--N 1.456 5.199 0 C-N-CA 125.938 1.695 . . . . 0.0 108.787 168.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.302 20.3 p -142.4 -28.16 0.6 Allowed 'General case' 1 N--CA 1.563 5.187 0 C-N-CA 127.065 2.146 . . . . 0.0 112.907 -179.626 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.588 ' HB3' ' HB2' ' A' ' 22' ' ' SER 0.287 51.9 tptt -119.8 126.39 50.89 Favored 'General case' 1 C--N 1.466 5.643 0 C-N-CA 124.103 0.961 . . . . 0.0 112.823 178.322 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.651 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.271 45.0 mm -127.43 124.39 63.67 Favored 'Isoleucine or valine' 0 C--N 1.411 3.266 0 C-N-CA 127.411 2.284 . . . . 0.0 107.951 172.28 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.299 3.0 mp -81.04 128.95 69.33 Favored Pre-proline 2 CA--C 1.68 5.97 0 C-N-CA 127.243 2.217 . . . . 0.0 110.913 173.455 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.63 -21.98 70.24 Favored 'Trans proline' 3 C--N 1.541 10.659 0 C-N-CA 124.315 3.343 . . . . 0.0 117.645 179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.14 37.44 2.2 Favored Glycine 1 C--N 1.43 5.758 0 CA-C-O 117.891 -1.505 . . . . 0.0 115.963 178.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.05 -178.05 39.07 Favored Glycine 2 C--N 1.445 6.632 0 C-N-CA 125.152 1.358 . . . . 0.0 116.149 174.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.03 -35.34 31.98 Favored 'General case' 0 N--CA 1.537 3.888 0 C-N-CA 128.384 2.674 . . . . 0.0 115.706 -177.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.64 -24.03 36.6 Favored 'General case' 2 N--CA 1.565 5.31 0 C-N-CA 126.945 2.098 . . . . 0.0 116.193 176.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.35 -41.65 16.55 Favored 'General case' 1 C--N 1.441 4.551 0 C-N-CA 127.266 2.226 . . . . 0.0 113.31 178.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -91.14 -56.7 3.06 Favored 'General case' 1 C--N 1.45 4.955 0 C-N-CA 127.251 2.22 . . . . 0.0 115.039 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -90.68 -32.96 15.99 Favored 'General case' 2 C--N 1.461 5.417 0 N-CA-C 117.805 2.52 . . . . 0.0 117.805 -173.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.32 -49.07 4.08 Favored Glycine 2 C--N 1.437 6.165 0 N-CA-C 117.573 1.789 . . . . 0.0 117.573 -172.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.577 84.3 mtm180 88.28 54.72 0.01 OUTLIER 'General case' 2 N--CA 1.575 5.793 0 C-N-CA 130.597 3.559 . . . . 0.0 116.809 -179.168 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 tp -111.15 132.33 54.39 Favored 'General case' 0 C--N 1.417 3.51 0 C-N-CA 127.609 2.364 . . . . 0.0 111.637 171.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -111.45 153.18 26.5 Favored 'General case' 0 N--CA 1.526 3.363 0 C-N-CA 127.66 2.384 . . . . 0.0 110.563 170.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -56.41 -27.69 25.08 Favored 'Isoleucine or valine' 2 N--CA 1.56 5.061 0 C-N-CA 129.008 2.923 . . . . 0.0 115.996 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -91.72 9.33 32.96 Favored 'General case' 1 CA--C 1.67 5.591 0 C-N-CA 128.748 2.819 . . . . 0.0 112.253 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . 0.25 1.8 m-20 -84.77 -31.91 23.69 Favored 'General case' 2 C--N 1.491 6.754 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 179.472 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.5 t 45.18 122.77 0.0 OUTLIER 'General case' 2 N--CA 1.593 6.677 0 C-N-CA 129.379 3.072 . . . . 0.0 115.978 176.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.45 HG21 HG13 ' A' ' 64' ' ' VAL 0.256 28.4 mt -84.04 130.98 34.98 Favored 'Isoleucine or valine' 1 N--CA 1.558 4.928 0 C-N-CA 125.283 1.433 . . . . 0.0 111.011 -176.529 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.5 pt? -97.75 -45.48 6.33 Favored 'General case' 1 C--N 1.432 4.189 0 O-C-N 125.218 1.574 . . . . 0.0 112.152 166.493 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -133.36 137.44 45.89 Favored 'General case' 1 C--N 1.448 4.888 0 O-C-N 124.981 1.426 . . . . 0.0 112.988 -176.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.45 HG13 HG21 ' A' ' 61' ' ' ILE 0.466 1.3 m -121.02 139.59 47.78 Favored 'Isoleucine or valine' 0 N--CA 1.535 3.789 0 C-N-CA 124.754 1.221 . . . . 0.0 112.112 171.66 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 69.24 -5.34 1.11 Allowed 'General case' 2 N--CA 1.598 6.946 0 C-N-CA 128.838 2.855 . . . . 0.0 115.673 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.416 11.8 mm-40 92.54 7.77 0.04 OUTLIER 'General case' 3 N--CA 1.58 6.053 0 C-N-CA 131.451 3.9 . . . . 0.0 111.994 -160.254 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.386 28.4 m -95.51 151.6 3.89 Favored 'Isoleucine or valine' 1 C--N 1.463 5.535 0 C-N-CA 127.931 2.493 . . . . 0.0 113.723 178.01 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.431 4.4 p30 -84.33 101.95 12.34 Favored 'General case' 0 C--N 1.404 2.945 0 C-N-CA 127.36 2.264 . . . . 0.0 115.455 -173.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.476 27.8 m -97.83 -3.72 9.85 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.229 0 CA-C-N 112.878 -1.965 . . . . 0.0 115.574 176.277 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -46.06 -28.47 1.19 Allowed 'General case' 3 N--CA 1.596 6.844 0 C-N-CA 128.62 2.768 . . . . 0.0 116.625 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -151.85 82.1 1.28 Allowed 'General case' 1 C--N 1.459 5.365 0 C-N-CA 129.651 3.181 . . . . 0.0 108.741 178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.561 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.293 17.6 m -141.89 163.81 19.21 Favored 'Isoleucine or valine' 1 N--CA 1.551 4.613 0 C-N-CA 126.616 1.966 . . . . 0.0 111.015 178.399 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.6 p -78.88 163.98 24.84 Favored 'General case' 1 N--CA 1.57 5.532 0 C-N-CA 126.729 2.012 . . . . 0.0 111.364 166.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.279 55.9 p-80 -54.07 -52.05 62.15 Favored 'General case' 2 N--CA 1.597 6.922 0 C-N-CA 125.518 1.527 . . . . 0.0 114.24 177.081 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 t -60.66 -33.73 73.25 Favored 'General case' 2 N--CA 1.556 4.867 0 C-N-CA 126.979 2.112 . . . . 0.0 112.958 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.26 -24.37 63.97 Favored 'General case' 2 C--N 1.452 5.037 0 C-N-CA 128.327 2.651 . . . . 0.0 114.145 174.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.67 -31.83 16.45 Favored 'General case' 1 C--N 1.461 5.429 0 C-N-CA 126.744 2.017 . . . . 0.0 113.192 174.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.0 t -74.55 -41.54 48.87 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.736 0 C-N-CA 127.589 2.356 . . . . 0.0 111.488 176.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.08 -20.3 66.12 Favored 'General case' 1 N--CA 1.597 6.892 0 C-N-CA 128.575 2.75 . . . . 0.0 115.224 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.73 -29.65 62.37 Favored 'General case' 1 C--N 1.431 4.131 0 C-N-CA 126.626 1.97 . . . . 0.0 111.321 166.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.431 ' HA ' HG11 ' A' ' 88' ' ' VAL 0.254 12.5 mt -93.04 -31.24 14.93 Favored 'General case' 1 C--N 1.456 5.23 0 C-N-CA 126.904 2.082 . . . . 0.0 116.107 -178.768 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -85.01 -38.54 19.1 Favored 'General case' 1 N--CA 1.544 4.257 0 C-N-CA 127.341 2.256 . . . . 0.0 113.104 176.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.268 39.2 mt-10 -90.0 -17.23 28.23 Favored 'General case' 2 N--CA 1.59 6.544 0 N-CA-C 120.011 3.337 . . . . 0.0 120.011 -175.809 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -57.49 -22.93 46.99 Favored 'General case' 3 N--CA 1.592 6.641 0 N-CA-C 115.645 1.72 . . . . 0.0 115.645 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 107.83 -35.12 5.2 Favored Glycine 1 C--N 1.423 5.379 0 N-CA-C 119.822 2.689 . . . . 0.0 119.822 165.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 t -173.42 -30.96 0.01 OUTLIER 'General case' 1 N--CA 1.566 5.365 0 C-N-CA 128.324 2.65 . . . . 0.0 111.016 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.276 23.4 mm -123.1 124.83 71.04 Favored 'Isoleucine or valine' 1 C--N 1.437 4.41 0 C-N-CA 125.545 1.538 . . . . 0.0 109.563 -178.96 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.371 23.3 m -124.57 121.54 61.7 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.758 0 C-N-CA 127.906 2.483 . . . . 0.0 111.945 178.551 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.406 37.0 ptt180 -113.46 99.69 7.95 Favored 'General case' 1 N--CA 1.556 4.829 0 C-N-CA 125.824 1.649 . . . . 0.0 115.302 -176.054 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.26 137.04 32.68 Favored 'General case' 0 N--CA 1.533 3.715 0 C-N-CA 127.321 2.248 . . . . 0.0 114.144 -179.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -118.6 110.38 17.28 Favored 'General case' 1 C--O 1.318 4.666 0 C-N-CA 126.694 1.998 . . . . 0.0 110.57 177.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.261 31.3 m -106.48 159.39 6.35 Favored 'Isoleucine or valine' 2 CA--C 1.659 5.144 0 O-C-N 127.106 2.754 . . . . 0.0 114.793 -176.398 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.286 25.8 ptt? -128.15 120.97 28.41 Favored 'General case' 1 N--CA 1.572 5.66 0 C-N-CA 127.467 2.307 . . . . 0.0 114.644 -175.21 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.413 ' HG3' ' HG3' ' A' ' 6' ' ' GLU 0.354 35.4 ptt180 -124.55 125.89 44.92 Favored 'General case' 1 N--CA 1.54 4.029 0 C-N-CA 127.007 2.123 . . . . 0.0 112.099 175.926 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -75.8 139.7 41.92 Favored 'General case' 1 N--CA 1.558 4.971 0 C-N-CA 127.265 2.226 . . . . 0.0 116.355 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . 0.288 2.0 pptp? -68.63 128.58 92.93 Favored Pre-proline 2 CA--C 1.666 5.422 0 C-N-CA 128.564 2.746 . . . . 0.0 116.438 -178.674 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_exo -72.7 144.95 40.45 Favored 'Trans proline' 3 C--N 1.548 11.039 0 C-N-CA 123.563 2.842 . . . . 0.0 116.334 176.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -68.45 136.75 37.61 Favored 'Trans proline' 3 C--N 1.552 11.252 0 C-N-CA 123.821 3.014 . . . . 0.0 116.763 177.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.431 4.139 0 C-N-CA 126.491 1.916 . . . . 0.0 112.866 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 32' ' ' ILE 0.467 5.9 m . . . . . 0 N--CA 1.535 3.813 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.427 14.8 m -103.14 -38.41 5.31 Favored 'Isoleucine or valine' 1 N--CA 1.548 4.451 0 N-CA-C 116.658 2.095 . . . . 0.0 116.658 -176.021 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.448 ' HB2' ' HB2' ' A' ' 30' ' ' PRO 0.255 67.3 m -130.83 -53.12 1.06 Allowed 'General case' 2 C--N 1.454 5.111 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 -172.462 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.399 18.6 tt0 60.39 -78.48 0.02 OUTLIER 'General case' 2 C--N 1.465 5.601 0 C-N-CA 130.6 3.56 . . . . 0.0 114.556 -176.85 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.412 97.8 mtt180 45.31 65.2 1.17 Allowed 'General case' 2 N--CA 1.578 5.965 0 C-N-CA 128.708 2.803 . . . . 0.0 114.65 -173.199 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . 0.537 11.1 tt -90.9 -100.33 0.04 OUTLIER 'Isoleucine or valine' 2 CA--C 1.639 4.397 0 CA-C-N 113.178 -1.828 . . . . 0.0 113.101 -173.606 . . . . . . . . 3 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 67.9 m 47.48 24.65 0.51 Allowed 'General case' 3 N--CA 1.623 8.19 0 C-N-CA 128.414 2.686 . . . . 0.0 115.544 -175.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.413 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 71.2 m -80.89 -171.23 3.07 Favored 'General case' 2 CA--C 1.633 4.157 0 C-N-CA 129.303 3.041 . . . . 0.0 115.574 -168.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 1 C--N 1.433 4.213 0 C-N-CA 127.077 2.151 . . . . 0.0 109.513 -173.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.493 0 CA-C-O 119.437 -0.646 . . . . 0.0 112.985 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.42 133.9 53.39 Favored 'General case' 0 N--CA 1.536 3.852 0 C-N-CA 126.486 1.914 . . . . 0.0 113.283 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.2 mmt -111.93 144.79 40.68 Favored 'General case' 0 C--N 1.428 3.982 0 C-N-CA 126.243 1.817 . . . . 0.0 113.981 176.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -105.97 165.99 10.81 Favored 'General case' 1 N--CA 1.541 4.106 0 C-N-CA 126.75 2.02 . . . . 0.0 113.769 -177.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.268 17.5 ptt? -108.78 158.58 17.51 Favored 'General case' 0 CA--C 1.625 3.833 0 C-N-CA 128.91 2.884 . . . . 0.0 114.181 -178.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -127.75 124.79 38.62 Favored 'General case' 1 N--CA 1.558 4.934 0 C-N-CA 127.792 2.437 . . . . 0.0 111.65 -177.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -104.22 144.1 32.06 Favored 'General case' 1 N--CA 1.55 4.553 0 C-N-CA 126.495 1.918 . . . . 0.0 113.051 -177.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -130.62 133.07 45.84 Favored 'General case' 2 N--CA 1.552 4.664 0 C-N-CA 124.58 1.152 . . . . 0.0 111.578 -177.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.287 11.5 pt-20 -106.23 113.03 26.31 Favored 'General case' 2 N--CA 1.541 4.098 0 C-N-CA 126.501 1.92 . . . . 0.0 112.661 175.393 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -114.96 146.9 18.8 Favored 'Isoleucine or valine' 2 N--CA 1.561 5.1 0 C-N-CA 125.306 1.442 . . . . 0.0 110.634 -176.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.28 127.23 55.33 Favored 'General case' 2 N--CA 1.552 4.675 0 C-N-CA 127.246 2.218 . . . . 0.0 113.571 172.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.37 149.55 51.1 Favored 'General case' 0 N--CA 1.536 3.851 0 C-N-CA 126.798 2.039 . . . . 0.0 113.258 176.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -96.77 122.95 40.28 Favored 'General case' 2 N--CA 1.55 4.564 0 C-N-CA 126.796 2.039 . . . . 0.0 109.628 176.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -92.58 134.85 34.59 Favored 'General case' 0 N--CA 1.529 3.506 0 C-N-CA 127.542 2.337 . . . . 0.0 114.428 -174.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.39 -57.89 4.19 Favored Glycine 2 N--CA 1.547 6.083 0 O-C-N 126.104 2.128 . . . . 0.0 117.81 165.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -65.18 -25.16 67.6 Favored 'General case' 1 N--CA 1.571 5.591 0 C-N-CA 127.714 2.406 . . . . 0.0 115.23 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 72.9 p -102.24 -23.81 13.97 Favored 'General case' 1 C--N 1.445 4.743 0 C-N-CA 125.614 1.566 . . . . 0.0 114.352 174.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.19 61.98 1.61 Allowed Glycine 2 C--N 1.49 9.139 0 CA-C-O 118.273 -1.293 . . . . 0.0 114.069 172.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . 0.275 95.3 mt -41.54 121.69 1.75 Allowed 'General case' 2 N--CA 1.568 5.47 0 C-N-CA 128.403 2.681 . . . . 0.0 117.029 -172.286 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.573 ' HA3' ' HA3' ' A' ' 47' ' ' GLY . . . -104.17 60.82 0.43 Allowed Glycine 1 C--N 1.418 5.119 0 C-N-CA 126.436 1.969 . . . . 0.0 117.211 -167.273 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -158.95 165.05 34.99 Favored 'General case' 0 CA--C 1.624 3.796 0 C-N-CA 128.774 2.83 . . . . 0.0 108.561 167.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.58 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 75.7 m -131.31 139.25 49.52 Favored 'General case' 1 C--N 1.437 4.404 0 C-N-CA 125.645 1.578 . . . . 0.0 110.098 170.426 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.426 HD12 ' HB3' ' B' ' 8' ' ' SER 0.512 2.1 pp -113.97 122.74 68.68 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.256 0 N-CA-C 119.216 3.043 . . . . 0.0 119.216 -174.025 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.483 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -104.53 117.61 34.56 Favored 'General case' 0 C--N 1.427 3.953 0 CA-C-N 113.505 -1.68 . . . . 0.0 111.464 -176.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -175.72 153.26 14.54 Favored Glycine 0 C--N 1.382 3.133 0 CA-C-N 113.399 -1.728 . . . . 0.0 113.089 -174.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.05 147.66 6.32 Favored Glycine 0 N--CA 1.514 3.861 0 N-CA-C 117.794 1.877 . . . . 0.0 117.794 -169.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.253 6.1 p -96.78 -33.27 11.74 Favored 'General case' 1 N--CA 1.56 5.073 0 C-N-CA 126.433 1.893 . . . . 0.0 113.268 167.629 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.72 -38.56 7.02 Favored 'General case' 1 C--N 1.432 4.164 0 C-N-CA 125.915 1.686 . . . . 0.0 112.473 175.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -101.67 99.4 11.62 Favored Pre-proline 2 CA--C 1.689 6.296 0 C-N-CA 126.568 1.947 . . . . 0.0 110.552 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HB2' ' HB2' ' B' ' 3' ' ' SER . 23.1 Cg_exo -69.28 164.64 33.28 Favored 'Trans proline' 3 C--N 1.542 10.719 0 C-N-CA 124.269 3.313 . . . . 0.0 117.814 178.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -119.79 -41.81 2.65 Favored 'General case' 1 C--N 1.431 4.128 0 C-N-CA 127.309 2.244 . . . . 0.0 111.964 171.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.322 3.5 tp -113.29 16.15 8.12 Favored 'Isoleucine or valine' 1 CA--C 1.671 5.604 0 C-N-CA 126.513 1.925 . . . . 0.0 113.783 -168.866 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.88 -72.05 0.48 Allowed Glycine 1 C--N 1.406 4.434 0 C-N-CA 125.722 1.63 . . . . 0.0 113.328 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.27 4.6 p-10 -156.84 14.25 0.27 Allowed 'General case' 3 N--CA 1.575 5.804 0 C-N-CA 128.056 2.543 . . . . 0.0 114.997 -176.332 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -88.68 145.25 34.7 Favored Pre-proline 3 CA--C 1.655 5.013 0 N-CA-C 116.544 2.053 . . . . 0.0 116.544 -170.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.87 -13.24 26.58 Favored 'Trans proline' 3 C--N 1.562 11.812 0 C-N-CA 124.62 3.547 . . . . 0.0 120.064 -177.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.6 t -75.0 141.42 43.96 Favored 'General case' 3 N--CA 1.566 5.34 0 C-N-CA 126.712 2.005 . . . . 0.0 114.599 -173.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 1.605 ' CB ' ' CA ' ' A' ' 38' ' ' ILE 0.261 0.7 OUTLIER -98.18 129.09 48.92 Favored 'Isoleucine or valine' 3 C--N 1.444 4.677 0 C-N-CA 126.15 1.78 . . . . 0.0 109.835 -178.744 . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -134.99 158.94 43.05 Favored 'General case' 1 N--CA 1.557 4.88 0 C-N-CA 128.281 2.632 . . . . 0.0 111.312 -176.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.5 mm -90.31 144.43 9.13 Favored 'Isoleucine or valine' 2 C--N 1.462 5.459 0 C-N-CA 125.998 1.719 . . . . 0.0 109.766 172.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.432 14.0 t -145.52 -28.09 0.45 Allowed 'General case' 1 N--CA 1.555 4.782 0 C-N-CA 126.453 1.901 . . . . 0.0 113.627 179.632 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 11.3 tmtt? -122.96 125.62 45.64 Favored 'General case' 1 C--N 1.459 5.35 0 O-C-N 124.163 0.914 . . . . 0.0 110.702 -179.051 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.608 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.274 41.1 mm -122.15 128.67 75.61 Favored 'Isoleucine or valine' 0 CA--C 1.607 3.167 0 C-N-CA 127.119 2.168 . . . . 0.0 108.442 174.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.29 3.9 mp -83.58 130.24 56.73 Favored Pre-proline 1 CA--C 1.682 6.034 0 C-N-CA 125.689 1.596 . . . . 0.0 109.951 172.705 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.65 -22.02 70.13 Favored 'Trans proline' 3 C--N 1.536 10.408 0 C-N-CA 124.401 3.4 . . . . 0.0 117.706 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.57 46.06 1.09 Allowed Glycine 1 C--N 1.428 5.668 0 O-C-N 124.753 1.283 . . . . 0.0 115.292 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.573 ' HA3' ' HA3' ' A' ' 20' ' ' GLY . . . -99.24 -177.37 31.64 Favored Glycine 2 C--N 1.434 6.002 0 C-N-CA 125.832 1.682 . . . . 0.0 115.093 173.678 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.72 -39.09 27.63 Favored 'General case' 1 N--CA 1.546 4.332 0 C-N-CA 126.842 2.057 . . . . 0.0 116.445 -176.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.27 -24.72 37.1 Favored 'General case' 2 N--CA 1.557 4.895 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 178.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -84.19 -46.2 12.13 Favored 'General case' 1 C--N 1.45 4.947 0 C-N-CA 127.674 2.389 . . . . 0.0 113.785 178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -90.65 -53.04 4.59 Favored 'General case' 1 C--N 1.45 4.943 0 C-N-CA 127.649 2.38 . . . . 0.0 114.913 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -90.91 -35.7 14.59 Favored 'General case' 1 C--N 1.455 5.172 0 N-CA-C 117.947 2.573 . . . . 0.0 117.947 -172.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -89.3 -74.68 1.29 Allowed Glycine 2 C--N 1.463 7.616 0 N-CA-C 118.187 2.035 . . . . 0.0 118.187 -170.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 173.79 -25.87 0.0 OUTLIER 'General case' 2 N--CA 1.623 8.188 0 C-N-CA 129.217 3.007 . . . . 0.0 114.215 -177.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . 0.29 2.0 tt -77.92 128.78 34.47 Favored 'General case' 1 C--N 1.453 5.069 0 N-CA-C 117.439 2.385 . . . . 0.0 117.439 -161.996 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -111.32 155.4 23.11 Favored 'General case' 0 CA--C 1.612 3.36 0 C-N-CA 129.156 2.983 . . . . 0.0 110.57 170.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 p -54.23 -27.18 16.47 Favored 'Isoleucine or valine' 2 N--CA 1.567 5.41 0 C-N-CA 129.626 3.17 . . . . 0.0 116.138 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -91.32 8.9 33.8 Favored 'General case' 1 CA--C 1.668 5.483 0 C-N-CA 128.586 2.754 . . . . 0.0 112.395 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.98 -35.52 17.57 Favored 'General case' 2 C--N 1.484 6.43 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.271 70.3 m 44.74 118.47 0.0 OUTLIER 'General case' 2 N--CA 1.591 6.59 0 C-N-CA 129.557 3.143 . . . . 0.0 117.044 177.27 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mt -85.26 127.77 39.67 Favored 'Isoleucine or valine' 1 N--CA 1.565 5.296 0 C-N-CA 125.062 1.345 . . . . 0.0 110.376 -175.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.255 1.5 pt? -93.36 -43.36 8.82 Favored 'General case' 0 C--N 1.428 3.985 0 O-C-N 125.063 1.477 . . . . 0.0 112.652 170.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -129.82 127.32 40.04 Favored 'General case' 2 C--N 1.447 4.819 0 O-C-N 125.108 1.505 . . . . 0.0 113.517 -177.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.3 t -115.04 129.86 70.52 Favored 'Isoleucine or valine' 1 N--CA 1.593 6.694 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 -178.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 74.43 -4.95 2.2 Favored 'General case' 2 N--CA 1.629 8.504 0 C-N-CA 128.625 2.77 . . . . 0.0 114.597 -174.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.399 46.8 mt-10 89.12 7.9 0.11 Allowed 'General case' 3 N--CA 1.582 6.145 0 C-N-CA 130.976 3.711 . . . . 0.0 111.654 -159.621 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . 0.401 21.4 m -94.62 156.01 3.19 Favored 'Isoleucine or valine' 1 C--N 1.468 5.75 0 C-N-CA 126.74 2.016 . . . . 0.0 113.841 178.972 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.442 4.5 p-10 -82.02 98.0 8.4 Favored 'General case' 0 C--N 1.414 3.393 0 C-N-CA 127.095 2.158 . . . . 0.0 115.21 -173.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.422 26.4 m -91.61 -15.31 8.35 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.208 0 CA-C-N 112.741 -2.027 . . . . 0.0 115.124 176.548 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.307 17.0 ptm180 -44.66 -26.51 0.39 Allowed 'General case' 3 N--CA 1.583 6.179 0 C-N-CA 128.582 2.753 . . . . 0.0 118.173 -179.61 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -145.88 73.69 1.35 Allowed 'General case' 1 C--N 1.442 4.623 0 C-N-CA 129.443 3.097 . . . . 0.0 108.982 177.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 1.587 ' CB ' ' CA ' ' A' ' 72' ' ' VAL 0.293 16.7 m -142.78 159.99 18.52 Favored 'Isoleucine or valine' 1 N--CA 1.552 4.628 0 C-N-CA 126.756 2.022 . . . . 0.0 110.635 178.051 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 p -77.6 163.68 26.03 Favored 'General case' 1 N--CA 1.575 5.818 0 C-N-CA 126.59 1.956 . . . . 0.0 111.8 167.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.319 26.4 p-80 -51.0 -52.68 40.36 Favored 'General case' 2 N--CA 1.595 6.777 0 C-N-CA 125.933 1.693 . . . . 0.0 114.635 175.61 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.4 m -59.24 -35.94 74.56 Favored 'General case' 2 N--CA 1.567 5.394 0 C-N-CA 126.963 2.105 . . . . 0.0 113.538 176.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.38 -22.71 61.84 Favored 'General case' 2 C--N 1.452 5.031 0 C-N-CA 128.643 2.777 . . . . 0.0 114.303 174.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.6 -32.61 16.19 Favored 'General case' 1 C--N 1.46 5.386 0 C-N-CA 126.971 2.108 . . . . 0.0 112.78 175.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.0 t -75.23 -39.91 43.06 Favored 'Isoleucine or valine' 3 N--CA 1.588 6.428 0 C-N-CA 128.209 2.604 . . . . 0.0 110.721 175.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 40.8 mt-10 -65.56 -16.96 64.21 Favored 'General case' 2 N--CA 1.591 6.591 0 C-N-CA 128.019 2.528 . . . . 0.0 114.587 175.198 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.83 -28.02 55.36 Favored 'General case' 0 CA--C 1.629 3.999 0 C-N-CA 127.28 2.232 . . . . 0.0 111.748 166.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.507 ' HA ' HG11 ' A' ' 88' ' ' VAL . 1.3 mt -91.1 -45.89 8.43 Favored 'General case' 1 C--N 1.46 5.396 0 C-N-CA 126.091 1.756 . . . . 0.0 114.534 177.102 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -75.01 -32.83 61.72 Favored 'General case' 1 N--CA 1.547 4.4 0 C-N-CA 127.838 2.455 . . . . 0.0 114.333 -178.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' GLU 0.277 40.2 mt-10 -89.8 -17.67 27.72 Favored 'General case' 2 N--CA 1.587 6.413 0 N-CA-C 119.698 3.221 . . . . 0.0 119.698 -178.116 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.76 -24.77 64.33 Favored 'General case' 3 N--CA 1.597 6.918 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 176.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 112.9 -34.95 4.84 Favored Glycine 1 C--N 1.421 5.272 0 N-CA-C 119.02 2.368 . . . . 0.0 119.02 165.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.3 t -177.18 -30.11 0.01 OUTLIER 'General case' 2 N--CA 1.567 5.392 0 C-N-CA 128.596 2.758 . . . . 0.0 111.032 -175.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.285 21.8 mm -123.83 116.1 47.07 Favored 'Isoleucine or valine' 1 C--N 1.442 4.599 0 C-N-CA 125.846 1.658 . . . . 0.0 109.071 -175.588 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.507 HG11 ' HA ' ' A' ' 81' ' ' LEU 0.275 0.0 OUTLIER -119.8 122.71 69.36 Favored 'Isoleucine or valine' 0 CA--C 1.604 3.027 0 CA-C-N 111.99 -2.368 . . . . 0.0 113.362 -177.167 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.385 36.4 ptt180 -109.5 103.71 12.65 Favored 'General case' 1 N--CA 1.551 4.607 0 C-N-CA 126.958 2.103 . . . . 0.0 114.875 -178.079 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 pp -100.0 141.36 32.92 Favored 'General case' 0 N--CA 1.532 3.638 0 C-N-CA 127.69 2.396 . . . . 0.0 113.69 -178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -120.14 112.33 18.96 Favored 'General case' 0 C--O 1.3 3.717 0 C-N-CA 126.708 2.003 . . . . 0.0 111.525 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.254 33.4 m -105.3 160.12 5.45 Favored 'Isoleucine or valine' 2 N--CA 1.572 5.641 0 O-C-N 126.458 2.349 . . . . 0.0 115.25 -175.781 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.302 25.5 ptt? -127.13 116.77 21.18 Favored 'General case' 2 N--CA 1.563 5.198 0 C-N-CA 127.809 2.444 . . . . 0.0 114.017 -175.164 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -130.9 156.63 44.74 Favored 'General case' 0 CA--C 1.628 3.96 0 C-N-CA 126.999 2.119 . . . . 0.0 109.788 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -100.26 146.66 26.64 Favored 'General case' 1 N--CA 1.55 4.575 0 C-N-CA 127.316 2.246 . . . . 0.0 113.869 177.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -64.42 123.06 81.64 Favored Pre-proline 3 N--CA 1.571 5.603 0 C-N-CA 127.91 2.484 . . . . 0.0 115.417 -179.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -74.72 141.45 27.55 Favored 'Trans proline' 3 C--N 1.55 11.146 0 C-N-CA 123.62 2.88 . . . . 0.0 116.552 176.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -69.06 -32.42 21.54 Favored 'Trans proline' 3 C--N 1.548 11.027 0 C-N-CA 123.841 3.027 . . . . 0.0 117.538 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.449 4.904 0 C-N-CA 126.514 1.925 . . . . 0.0 112.688 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.367 7.6 p . . . . . 0 N--CA 1.513 2.705 0 CA-C-O 118.603 -0.713 . . . . 0.0 112.675 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.57 12.1 m -103.52 62.03 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.534 3.772 0 CA-C-O 123.302 1.525 . . . . 0.0 111.971 167.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.514 ' HB2' ' HB2' ' A' ' 30' ' ' PRO 0.35 74.7 m -57.16 8.72 0.01 OUTLIER 'General case' 2 N--CA 1.561 5.104 0 N-CA-C 121.588 3.922 . . . . 0.0 121.588 -177.463 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . 0.297 0.0 OUTLIER -108.82 156.41 19.67 Favored 'General case' 0 C--N 1.419 3.603 0 N-CA-C 116.734 2.124 . . . . 0.0 116.734 179.52 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -87.55 -30.45 20.53 Favored 'General case' 2 CA--C 1.64 4.413 0 C-N-CA 128.516 2.726 . . . . 0.0 113.452 171.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' A' ' 24' ' ' ALA 0.629 10.4 tp 56.66 76.57 0.08 OUTLIER 'Isoleucine or valine' 2 N--CA 1.575 5.821 0 C-N-CA 130.518 3.527 . . . . 0.0 115.56 -179.383 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 73.2 m -124.01 19.04 9.25 Favored 'General case' 2 N--CA 1.583 6.183 0 CA-C-N 112.082 -2.326 . . . . 0.0 115.046 -174.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.426 ' HB3' HD12 ' A' ' 23' ' ' ILE . 48.9 m -94.05 -178.53 4.67 Favored 'General case' 2 N--CA 1.549 4.509 0 C-N-CA 126.807 2.043 . . . . 0.0 116.035 -170.24 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 1.546 ' CA ' ' CB ' ' B' ' 9' ' ' VAL . 3.3 t . . . . . 3 C--N 1.461 5.416 0 C-N-CA 126.848 2.059 . . . . 0.0 107.596 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.58 0 CA-C-O 119.469 -0.628 . . . . 0.0 112.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.38 124.71 53.09 Favored 'General case' 0 C--N 1.426 3.914 0 C-N-CA 126.276 1.831 . . . . 0.0 112.874 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.3 mpp? -114.62 140.25 48.97 Favored 'General case' 1 N--CA 1.539 4.012 0 C-N-CA 126.343 1.857 . . . . 0.0 113.574 177.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -109.07 166.82 10.55 Favored 'General case' 1 N--CA 1.549 4.489 0 C-N-CA 126.777 2.031 . . . . 0.0 112.785 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . 0.274 18.1 ptt? -106.01 160.02 15.61 Favored 'General case' 0 N--CA 1.536 3.868 0 C-N-CA 128.72 2.808 . . . . 0.0 114.013 -179.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . 0.324 10.4 pt-20 -127.27 122.18 33.18 Favored 'General case' 1 N--CA 1.551 4.618 0 C-N-CA 127.206 2.202 . . . . 0.0 112.891 -176.576 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -102.19 142.73 32.96 Favored 'General case' 1 N--CA 1.549 4.501 0 C-N-CA 126.145 1.778 . . . . 0.0 113.043 -177.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -126.96 131.49 51.06 Favored 'General case' 1 C--N 1.434 4.251 0 C-N-CA 124.712 1.205 . . . . 0.0 110.884 -177.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.295 11.6 pt-20 -105.97 113.25 26.69 Favored 'General case' 0 C--N 1.422 3.728 0 C-N-CA 126.454 1.902 . . . . 0.0 112.407 175.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.9 mt -111.46 136.59 47.08 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.284 0 C-N-CA 124.742 1.217 . . . . 0.0 109.136 -178.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -121.95 116.19 23.9 Favored 'General case' 0 N--CA 1.528 3.448 0 C-N-CA 125.76 1.624 . . . . 0.0 107.694 173.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.12 145.59 44.77 Favored 'General case' 0 C--N 1.406 3.035 0 C-N-CA 126.949 2.1 . . . . 0.0 112.012 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -93.96 122.57 36.6 Favored 'General case' 1 N--CA 1.545 4.277 0 C-N-CA 126.571 1.948 . . . . 0.0 107.409 172.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . 0.338 53.4 mtp180 -55.18 114.24 1.7 Allowed 'General case' 1 N--CA 1.551 4.614 0 C-N-CA 128.514 2.726 . . . . 0.0 117.622 -172.013 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.498 ' H ' HD13 ' A' ' 19' ' ' LEU . . . -67.54 159.45 50.42 Favored Glycine 3 N--CA 1.552 6.426 0 CA-C-N 113.015 -1.902 . . . . 0.0 117.755 -177.773 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . 0.293 30.3 p30 -68.55 -30.17 68.89 Favored 'General case' 1 N--CA 1.575 5.789 0 C-N-CA 127.386 2.274 . . . . 0.0 116.232 -179.328 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.3 m -95.78 -19.68 19.44 Favored 'General case' 0 N--CA 1.538 3.957 0 C-N-CA 127.467 2.307 . . . . 0.0 113.249 174.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.81 60.45 0.43 Allowed Glycine 1 C--N 1.453 7.031 0 C-N-CA 126.199 1.857 . . . . 0.0 110.79 -177.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.498 HD13 ' H ' ' A' ' 15' ' ' GLY 0.516 2.6 mm? 70.5 -86.2 0.03 OUTLIER 'General case' 1 C--N 1.447 4.82 0 C-N-CA 130.258 3.423 . . . . 0.0 114.709 -171.952 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 154.43 38.03 0.02 OUTLIER Glycine 0 C--N 1.395 3.806 0 C-N-CA 126.066 1.793 . . . . 0.0 113.401 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -156.19 170.28 22.6 Favored 'General case' 1 C--N 1.449 4.918 0 C-N-CA 128.547 2.739 . . . . 0.0 109.133 177.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.464 ' HB2' ' HB3' ' A' ' 42' ' ' LYS . 67.3 m -137.13 145.28 43.64 Favored 'General case' 1 C--N 1.444 4.69 0 C-N-CA 125.057 1.343 . . . . 0.0 111.028 169.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.551 ' H ' ' HB2' ' B' ' 8' ' ' SER 0.545 2.3 pp -119.37 124.57 73.25 Favored 'Isoleucine or valine' 2 N--CA 1.57 5.533 0 N-CA-C 119.389 3.107 . . . . 0.0 119.389 -174.588 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' B' ' 6' ' ' ILE . . . -107.17 117.72 34.8 Favored 'General case' 1 C--N 1.44 4.518 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.006 -176.682 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.34 158.67 31.52 Favored Glycine 0 N--CA 1.512 3.709 0 C-N-CA 125.909 1.718 . . . . 0.0 113.229 -175.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.31 147.5 6.29 Favored Glycine 1 C--N 1.399 4.044 0 N-CA-C 118.366 2.106 . . . . 0.0 118.366 -171.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.251 8.5 p -101.87 -38.08 7.98 Favored 'General case' 1 N--CA 1.559 4.982 0 C-N-CA 126.342 1.857 . . . . 0.0 113.219 166.349 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -103.23 -36.29 8.14 Favored 'General case' 1 C--N 1.432 4.185 0 C-N-CA 125.885 1.674 . . . . 0.0 112.548 176.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . 0.254 45.7 m-80 -101.42 101.3 16.55 Favored Pre-proline 2 CA--C 1.655 4.999 0 C-N-CA 127.238 2.215 . . . . 0.0 112.641 179.651 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -72.66 160.46 46.37 Favored 'Trans proline' 3 C--N 1.548 11.06 0 C-N-CA 124.175 3.25 . . . . 0.0 118.223 -176.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . 0.282 71.7 t60 -112.51 -43.1 3.54 Favored 'General case' 1 C--N 1.444 4.683 0 C-N-CA 125.18 1.392 . . . . 0.0 113.193 167.989 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . 0.389 5.4 tp -126.09 23.43 3.21 Favored 'Isoleucine or valine' 1 CA--C 1.665 5.382 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -173.597 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.05 -70.2 0.41 Allowed Glycine 1 C--N 1.407 4.514 0 C-N-CA 125.554 1.55 . . . . 0.0 113.612 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -161.34 17.99 0.11 Allowed 'General case' 2 N--CA 1.572 5.67 0 C-N-CA 129.418 3.087 . . . . 0.0 113.36 -178.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.38 131.46 88.38 Favored Pre-proline 3 CA--C 1.656 5.046 0 N-CA-C 117.645 2.461 . . . . 0.0 117.645 -170.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -73.93 -18.76 21.34 Favored 'Trans proline' 3 C--N 1.559 11.618 0 C-N-CA 124.442 3.428 . . . . 0.0 119.345 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.2 t -80.5 142.1 34.53 Favored 'General case' 2 N--CA 1.556 4.864 0 C-N-CA 126.792 2.037 . . . . 0.0 113.708 -175.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.278 0.7 OUTLIER -97.87 120.72 47.57 Favored 'Isoleucine or valine' 3 C--N 1.442 4.589 0 C-N-CA 125.844 1.658 . . . . 0.0 109.716 -177.401 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -126.83 149.25 49.8 Favored 'General case' 1 N--CA 1.54 4.068 0 C-N-CA 129.467 3.107 . . . . 0.0 112.002 -170.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.1 mm -88.14 141.12 14.75 Favored 'Isoleucine or valine' 2 C--N 1.453 5.101 0 C-N-CA 125.93 1.692 . . . . 0.0 109.967 175.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . 0.315 9.6 p -143.44 -29.43 0.52 Allowed 'General case' 1 N--CA 1.554 4.766 0 C-N-CA 127.363 2.265 . . . . 0.0 114.0 -177.837 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HB3' ' HB2' ' A' ' 22' ' ' SER . 8.9 tmtt? -121.38 125.05 46.01 Favored 'General case' 1 C--N 1.466 5.659 0 O-C-N 123.917 0.76 . . . . 0.0 111.206 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 1.63 ' CB ' ' CA ' ' A' ' 43' ' ' ILE 0.27 43.4 mm -123.87 127.71 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.606 3.1 0 C-N-CA 126.988 2.115 . . . . 0.0 108.012 174.195 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . 0.292 3.1 mp -83.74 124.1 75.43 Favored Pre-proline 1 CA--C 1.679 5.921 0 C-N-CA 126.163 1.785 . . . . 0.0 109.672 173.698 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -61.28 -19.96 66.11 Favored 'Trans proline' 3 C--N 1.54 10.612 0 C-N-CA 124.509 3.473 . . . . 0.0 117.779 -178.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -131.97 41.23 1.53 Allowed Glycine 1 C--N 1.425 5.515 0 CA-C-O 118.272 -1.293 . . . . 0.0 115.601 176.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.71 -178.02 39.56 Favored Glycine 2 C--N 1.443 6.526 0 C-N-CA 125.333 1.444 . . . . 0.0 115.436 173.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.0 -38.58 27.29 Favored 'General case' 1 N--CA 1.543 4.218 0 C-N-CA 127.932 2.493 . . . . 0.0 116.104 -177.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.44 -25.36 36.19 Favored 'General case' 2 N--CA 1.556 4.855 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 177.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.23 -45.85 11.6 Favored 'General case' 1 C--N 1.453 5.087 0 C-N-CA 127.81 2.444 . . . . 0.0 114.036 179.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -90.33 -51.45 5.42 Favored 'General case' 1 C--N 1.451 4.999 0 C-N-CA 127.584 2.354 . . . . 0.0 114.938 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -90.73 -31.37 16.59 Favored 'General case' 1 C--N 1.455 5.165 0 N-CA-C 117.071 2.248 . . . . 0.0 117.071 -174.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -88.64 -74.16 1.28 Allowed Glycine 2 C--N 1.468 7.892 0 CA-C-O 117.412 -1.771 . . . . 0.0 117.199 -175.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . 0.251 43.8 mtp180 166.25 -23.06 0.0 OUTLIER 'General case' 2 N--CA 1.621 8.086 0 C-N-CA 130.437 3.495 . . . . 0.0 114.019 178.686 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.64 128.5 36.47 Favored 'General case' 1 C--N 1.458 5.301 0 N-CA-C 117.325 2.343 . . . . 0.0 117.325 -163.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -111.64 153.43 26.38 Favored 'General case' 0 N--CA 1.523 3.196 0 C-N-CA 128.939 2.896 . . . . 0.0 111.068 171.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.56 -25.63 18.21 Favored 'Isoleucine or valine' 2 N--CA 1.568 5.452 0 C-N-CA 129.794 3.237 . . . . 0.0 116.112 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -91.61 8.47 36.59 Favored 'General case' 1 CA--C 1.664 5.354 0 C-N-CA 128.783 2.833 . . . . 0.0 112.382 179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.19 -36.41 24.7 Favored 'General case' 2 C--N 1.488 6.588 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . 0.251 50.7 m 45.44 118.71 0.0 OUTLIER 'General case' 2 N--CA 1.595 6.798 0 C-N-CA 129.279 3.032 . . . . 0.0 116.619 178.45 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 64' ' ' VAL . 6.7 mt -85.53 128.94 38.72 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.267 0 C-N-CA 124.845 1.258 . . . . 0.0 110.716 -174.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.25 1.5 pt? -95.92 -42.84 8.1 Favored 'General case' 0 C--N 1.425 3.877 0 O-C-N 125.162 1.539 . . . . 0.0 112.767 169.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -132.35 123.39 26.7 Favored 'General case' 1 C--N 1.451 4.987 0 O-C-N 124.867 1.354 . . . . 0.0 113.125 -176.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.506 ' O ' HG22 ' A' ' 67' ' ' VAL 0.375 2.8 p -120.9 129.71 75.4 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.26 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.348 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t30 74.87 0.53 3.57 Favored 'General case' 2 N--CA 1.627 8.417 0 C-N-CA 128.752 2.821 . . . . 0.0 111.089 -171.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.389 11.8 mm-40 86.57 15.33 0.11 Allowed 'General case' 3 N--CA 1.571 5.591 0 C-N-CA 131.452 3.901 . . . . 0.0 111.845 -161.115 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 64' ' ' VAL 0.353 5.0 m -93.15 155.12 3.16 Favored 'Isoleucine or valine' 1 C--N 1.477 6.12 0 C-N-CA 126.498 1.919 . . . . 0.0 113.05 -177.822 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . 0.438 4.4 p30 -83.75 92.71 7.79 Favored 'General case' 0 C--N 1.403 2.909 0 O-C-N 126.063 2.102 . . . . 0.0 114.544 -179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.486 30.2 m -89.84 -7.32 10.82 Favored 'Isoleucine or valine' 1 N--CA 1.564 5.273 0 N-CA-C 116.011 1.856 . . . . 0.0 116.011 177.251 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . 0.292 17.0 ptm180 -46.97 -25.94 0.9 Allowed 'General case' 2 N--CA 1.582 6.137 0 C-N-CA 128.521 2.728 . . . . 0.0 118.192 178.294 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -154.12 77.13 1.07 Allowed 'General case' 1 C--N 1.445 4.754 0 C-N-CA 128.562 2.745 . . . . 0.0 107.325 179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . 0.278 18.8 m -142.56 162.68 18.37 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.902 0 C-N-CA 127.166 2.186 . . . . 0.0 110.935 178.586 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 p -78.66 165.23 23.88 Favored 'General case' 1 N--CA 1.572 5.654 0 C-N-CA 126.966 2.106 . . . . 0.0 111.822 166.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . 0.269 54.3 p-80 -51.25 -53.23 37.39 Favored 'General case' 2 N--CA 1.6 7.06 0 C-N-CA 126.371 1.868 . . . . 0.0 114.218 175.532 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 p -57.71 -38.12 74.7 Favored 'General case' 2 N--CA 1.563 5.199 0 C-N-CA 127.028 2.131 . . . . 0.0 114.084 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.32 -23.0 63.73 Favored 'General case' 1 C--N 1.445 4.74 0 C-N-CA 129.039 2.935 . . . . 0.0 114.39 175.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -90.62 -33.99 15.63 Favored 'General case' 1 C--N 1.461 5.449 0 C-N-CA 126.75 2.02 . . . . 0.0 113.164 174.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.81 -42.8 53.96 Favored 'Isoleucine or valine' 3 N--CA 1.594 6.728 0 C-N-CA 127.512 2.325 . . . . 0.0 111.549 177.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -65.87 -19.12 65.77 Favored 'General case' 1 N--CA 1.571 5.605 0 C-N-CA 128.931 2.892 . . . . 0.0 115.069 178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.81 -27.67 60.4 Favored 'General case' 1 C--N 1.435 4.298 0 C-N-CA 127.789 2.436 . . . . 0.0 112.356 168.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mt -91.42 -34.89 14.67 Favored 'General case' 2 C--N 1.458 5.317 0 C-N-CA 127.285 2.234 . . . . 0.0 113.261 176.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -78.76 -24.89 44.46 Favored 'General case' 1 C--N 1.431 4.141 0 C-N-CA 127.805 2.442 . . . . 0.0 113.294 177.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . 0.358 11.1 pt-20 -70.09 -43.0 71.98 Favored 'General case' 2 N--CA 1.575 5.794 0 N-CA-C 118.335 2.717 . . . . 0.0 118.335 174.132 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.48 ' HB3' HG23 ' A' ' 88' ' ' VAL . . . -63.01 -23.12 67.3 Favored 'General case' 1 C--N 1.454 5.13 0 C-N-CA 126.051 1.74 . . . . 0.0 114.898 -176.519 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 78.03 -34.31 1.7 Allowed Glycine 1 C--N 1.423 5.416 0 N-CA-C 121.788 3.475 . . . . 0.0 121.788 170.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -156.67 -30.83 0.09 Allowed 'General case' 0 N--CA 1.535 3.81 0 C-N-CA 127.473 2.309 . . . . 0.0 111.886 -169.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . 0.276 30.3 mm -130.88 99.91 4.42 Favored 'Isoleucine or valine' 2 C--N 1.44 4.516 0 C-N-CA 125.781 1.632 . . . . 0.0 108.236 -173.983 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.48 HG23 ' HB3' ' A' ' 84' ' ' ALA 0.313 0.8 OUTLIER -107.0 126.54 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.612 3.353 0 O-C-N 125.941 2.026 . . . . 0.0 114.123 -177.23 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . 0.398 37.9 ptt180 -115.51 99.65 7.51 Favored 'General case' 1 N--CA 1.557 4.922 0 C-N-CA 125.997 1.719 . . . . 0.0 115.134 -176.797 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.59 141.01 31.96 Favored 'General case' 0 N--CA 1.529 3.49 0 C-N-CA 128.044 2.538 . . . . 0.0 113.588 179.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -120.96 113.0 19.47 Favored 'General case' 0 C--O 1.298 3.612 0 C-N-CA 126.81 2.044 . . . . 0.0 111.142 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.271 33.1 m -107.32 159.36 6.95 Favored 'Isoleucine or valine' 2 N--CA 1.564 5.27 0 O-C-N 126.684 2.49 . . . . 0.0 115.131 -174.546 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . 0.36 0.0 OUTLIER -124.67 119.21 28.34 Favored 'General case' 2 N--CA 1.562 5.154 0 C-N-CA 127.1 2.16 . . . . 0.0 114.748 -176.498 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -126.51 158.61 35.7 Favored 'General case' 0 N--CA 1.538 3.938 0 C-N-CA 128.477 2.711 . . . . 0.0 110.926 179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -100.29 152.81 19.87 Favored 'General case' 1 N--CA 1.543 4.223 0 C-N-CA 126.99 2.116 . . . . 0.0 113.918 174.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -84.64 125.37 71.51 Favored Pre-proline 2 CA--C 1.648 4.734 0 C-N-CA 127.014 2.126 . . . . 0.0 114.036 -177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -74.06 139.81 27.42 Favored 'Trans proline' 3 C--N 1.552 11.253 0 C-N-CA 123.611 2.874 . . . . 0.0 116.408 176.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -71.14 137.08 30.75 Favored 'Trans proline' 3 C--N 1.55 11.166 0 C-N-CA 123.779 2.986 . . . . 0.0 116.568 176.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . . . . . . 1 C--N 1.432 4.178 0 C-N-CA 126.41 1.884 . . . . 0.0 112.801 179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . 0.376 9.3 p . . . . . 0 CA--C 1.614 3.406 0 CA-C-O 121.36 0.6 . . . . 0.0 112.482 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . 0.301 6.3 m -67.69 -20.97 26.84 Favored 'Isoleucine or valine' 2 N--CA 1.582 6.161 0 C-N-CA 129.05 2.94 . . . . 0.0 116.591 -179.68 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 14.8 p -136.87 94.9 3.03 Favored 'General case' 1 C--N 1.432 4.182 0 C-N-CA 127.959 2.504 . . . . 0.0 109.935 -174.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -143.92 115.44 8.11 Favored 'General case' 2 C--N 1.44 4.536 0 C-N-CA 124.455 1.102 . . . . 0.0 112.674 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . 0.255 98.1 mtt180 -130.53 86.67 2.41 Favored 'General case' 0 N--CA 1.527 3.406 0 C-N-CA 127.494 2.317 . . . . 0.0 107.691 164.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 1.622 ' CB ' ' CA ' ' B' ' 6' ' ' ILE 0.483 10.8 tp -100.36 -112.02 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.628 3.961 0 CA-C-N 112.879 -1.964 . . . . 0.0 112.036 -174.555 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.29 79.9 p 42.98 20.65 0.02 OUTLIER 'General case' 3 N--CA 1.621 8.117 0 C-N-CA 128.851 2.86 . . . . 0.0 117.716 -179.021 . . . . . . . . 3 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.551 ' HB2' ' H ' ' A' ' 23' ' ' ILE . 72.4 m -84.48 -165.82 1.28 Allowed 'General case' 2 CA--C 1.642 4.489 0 C-N-CA 129.029 2.931 . . . . 0.0 115.087 -170.773 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 1.538 ' CA ' ' CB ' ' B' ' 9' ' ' VAL 0.262 3.2 t . . . . . 2 C--N 1.449 4.926 0 C-N-CA 126.492 1.917 . . . . 0.0 108.611 -174.767 . . . . . . . . 3 2 . 1 stop_ save_