data_2rvf_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 2rvf _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.963 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -60.99 -30.44 89.85 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 121.841 1.694 . . . . 0.0 112.703 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -80.27 -6.1 57.33 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -90.43 129.48 36.61 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 121.165 1.802 . . . . 0.0 112.709 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -121.76 8.36 9.99 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.728 1.611 . . . . 0.0 114.113 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.62 -144.66 45.88 Favored Glycine 0 CA--C 1.541 1.668 0 O-C-N 120.565 -1.334 . . . . 0.0 113.722 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.32 55.61 4.7 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.599 3.533 . . . . 0.0 113.48 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 tp -76.79 138.96 40.2 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.847 1.259 . . . . 0.0 110.688 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -81.02 163.04 23.54 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.259 -0.901 . . . . 0.0 112.827 173.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -55.47 -48.16 74.98 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.647 -0.658 . . . . 0.0 112.323 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 m -59.95 -39.17 84.66 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.394 0.678 . . . . 0.0 112.051 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.9 -42.26 63.75 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.754 1.621 . . . . 0.0 111.962 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.64 89.28 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.018 0.527 . . . . 0.0 111.496 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -67.76 -40.7 84.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.427 1.091 . . . . 0.0 112.278 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -71.91 -21.03 61.69 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.9 m -80.73 -53.63 6.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.152 0.981 . . . . 0.0 111.27 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.16 -30.24 63.43 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 118.113 -0.946 . . . . 0.0 113.485 -173.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.45 -16.87 63.17 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.784 1.175 . . . . 0.0 112.963 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -95.35 -14.22 24.07 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.316 1.446 . . . . 0.0 113.118 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mmm -101.59 157.56 33.44 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.195 1.798 . . . . 0.0 110.614 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -68.11 163.48 35.8 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 121.901 1.734 . . . . 0.0 111.672 172.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.44 139.4 57.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.908 1.683 . . . . 0.0 113.517 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.96 10.59 78.4 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.727 1.156 . . . . 0.0 113.979 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -83.03 130.44 35.14 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.324 1.062 . . . . 0.0 108.679 169.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -135.61 160.16 39.37 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -174.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -145.12 159.23 43.31 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.132 1.373 . . . . 0.0 111.025 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.0 t -121.02 137.75 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.698 1.199 . . . . 0.0 109.541 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -138.62 161.09 37.99 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.722 1.609 . . . . 0.0 111.305 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.28 146.96 52.35 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.26 1.024 . . . . 0.0 111.12 168.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.466 0.326 0 O-C-N 121.228 -0.92 . . . . 0.0 113.178 -165.441 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.258 0.552 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -118.19 171.24 8.25 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.106 -0.996 . . . . 0.0 112.125 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.95 128.86 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.064 1.346 . . . . 0.0 109.743 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.79 127.95 35.02 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.816 1.646 . . . . 0.0 107.864 166.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.7 m -117.64 140.77 49.19 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.197 0.999 . . . . 0.0 109.64 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 143.26 41.99 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.136 1.374 . . . . 0.0 113.039 -170.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.9 p -87.36 112.6 22.27 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.403 -0.81 . . . . 0.0 109.705 165.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -147.64 138.05 23.12 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.457 1.103 . . . . 0.0 111.121 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 50.76 46.81 25.47 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.863 1.265 . . . . 0.0 112.931 173.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.03 9.86 54.86 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.946 1.26 . . . . 0.0 116.063 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -135.22 -167.19 1.96 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.855 1.662 . . . . 0.0 110.682 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.0 t -122.03 136.71 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.133 0.973 . . . . 0.0 110.255 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.8 p -114.65 161.42 18.13 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.316 2.246 . . . . 0.0 111.018 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -144.88 131.34 19.77 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.301 1.04 . . . . 0.0 111.133 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -131.87 136.18 47.24 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.479 1.511 . . . . 0.0 110.036 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -82.61 135.94 34.93 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.337 -0.852 . . . . 0.0 111.68 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.8 mt -109.9 81.62 1.47 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.711 2.404 . . . . 0.0 106.755 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.9 m -78.87 145.65 34.05 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.162 0.985 . . . . 0.0 111.591 -173.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.42 124.57 32.16 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -136.45 107.88 6.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.493 1.117 . . . . 0.0 109.73 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.253 36.8 mt-10 48.9 31.83 3.43 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -171.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.34 -4.28 84.22 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 120.818 -1.176 . . . . 0.0 114.87 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -94.78 174.85 6.9 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.613 1.965 . . . . 0.0 110.862 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.2 mm -112.28 115.73 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.204 1.402 . . . . 0.0 110.711 -171.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -98.11 130.07 44.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.528 1.531 . . . . 0.0 109.888 172.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tt -142.24 127.17 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.131 0.972 . . . . 0.0 110.557 173.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 t70 46.71 -115.12 0.57 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.24 0.616 . . . . 0.0 109.862 -160.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.7 p -93.68 -20.48 20.13 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.755 1.622 . . . . 0.0 113.223 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -77.13 146.67 37.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.579 1.552 . . . . 0.0 112.756 -171.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -124.97 124.68 42.53 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.344 1.058 . . . . 0.0 110.484 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -122.03 153.36 38.7 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.759 1.624 . . . . 0.0 110.815 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.04 -36.78 84.7 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -157.33 173.74 16.47 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.451 1.5 . . . . 0.0 110.932 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.04 -40.78 98.72 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.75 -33.54 74.09 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.904 0.774 . . . . 0.0 112.112 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.26 90.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.463 0.705 . . . . 0.0 112.804 169.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.32 80.72 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.677 0.671 . . . . 0.0 112.02 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.5 mm -62.71 -47.68 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.71 -0.619 . . . . 0.0 110.664 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.8 m -61.08 -39.54 90.31 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.462 0.705 . . . . 0.0 111.998 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -58.38 -45.14 88.89 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.151 0.887 . . . . 0.0 112.189 175.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -82.22 6.66 15.99 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.1 mtt -87.25 -41.44 13.69 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.04 -1.038 . . . . 0.0 111.258 160.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -73.89 -33.42 64.01 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.046 0.938 . . . . 0.0 112.551 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -122.65 156.98 33.21 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.279 1.432 . . . . 0.0 111.971 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -71.53 146.56 48.41 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.461 -0.774 . . . . 0.0 111.513 172.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.83 -55.79 3.49 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.414 1.086 . . . . 0.0 111.343 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -152.49 -46.49 0.1 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.248 1.419 . . . . 0.0 110.897 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -119.37 -20.11 7.99 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -160.02 174.96 13.56 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.873 1.269 . . . . 0.0 109.988 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.9 p -90.4 160.37 16.1 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.966 0.889 . . . . 0.0 112.333 166.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.5 mt -65.48 138.76 58.31 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.256 1.422 . . . . 0.0 110.612 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -126.08 -37.44 2.25 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -176.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -157.38 145.17 13.95 Favored Pre-proline 0 CA--C 1.546 0.806 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.1 140.7 34.88 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.964 2.443 . . . . 0.0 112.015 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 CA--C 1.539 0.544 0 O-C-N 121.609 -0.682 . . . . 0.0 110.797 169.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.859 0 CA-C-O 119.131 -0.462 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -63.79 -32.44 67.4 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 122.809 2.34 . . . . 0.0 113.15 -170.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -77.28 -10.71 59.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.377 1.471 . . . . 0.0 114.194 174.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -86.21 132.06 34.09 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.52 1.509 . . . . 0.0 111.741 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -121.72 3.7 10.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.836 1.655 . . . . 0.0 114.426 -176.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -137.41 32.31 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 120.796 -1.19 . . . . 0.0 113.597 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.72 50.21 3.17 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 124.713 3.609 . . . . 0.0 113.668 -173.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 tp -74.14 151.83 39.98 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.88 1.272 . . . . 0.0 110.726 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.7 m -106.86 162.74 13.54 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.003 1.321 . . . . 0.0 111.958 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -52.99 -47.17 68.44 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.824 0.849 . . . . 0.0 112.636 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.1 m -59.89 -38.58 82.67 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.811 0.844 . . . . 0.0 112.4 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.18 -39.5 65.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.039 0.936 . . . . 0.0 112.034 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.66 99.9 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.452 0.701 . . . . 0.0 111.892 173.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.78 -48.81 77.52 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.383 1.073 . . . . 0.0 111.893 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.78 -31.09 72.16 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.629 0.649 . . . . 0.0 112.541 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -71.01 -48.51 52.73 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.533 0.606 . . . . 0.0 112.096 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.41 -26.76 35.13 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -173.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.8 tp -63.8 -24.99 67.98 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.313 0.96 . . . . 0.0 112.373 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -88.73 -11.67 44.45 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.511 1.525 . . . . 0.0 113.744 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.1 mmm -100.36 161.45 24.03 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.591 1.557 . . . . 0.0 113.362 -176.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.53 164.77 24.99 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.448 2.765 . . . . 0.0 112.675 171.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.64 140.38 51.29 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.116 1.367 . . . . 0.0 112.756 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.64 11.46 85.24 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.202 0.906 . . . . 0.0 114.057 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.8 m -74.64 127.22 32.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.112 0.956 . . . . 0.0 109.004 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -132.81 160.07 37.96 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.55 159.42 43.14 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 125.037 1.335 . . . . 0.0 110.959 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -126.17 138.41 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 124.816 1.246 . . . . 0.0 109.727 170.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -136.74 160.4 38.96 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.131 1.372 . . . . 0.0 111.977 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.3 133.67 56.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.845 0.858 . . . . 0.0 110.439 169.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -169.001 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 . . . . . 0 CA--C 1.543 0.673 0 CA-C-O 121.297 0.57 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -127.82 170.3 12.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.166 1.386 . . . . 0.0 112.077 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -137.04 130.0 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.509 1.123 . . . . 0.0 110.111 176.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -90.73 131.93 36.11 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.992 1.717 . . . . 0.0 108.603 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -123.41 141.73 51.7 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.538 0.735 . . . . 0.0 110.536 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.4 t -142.59 145.84 33.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.017 0.927 . . . . 0.0 112.651 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 p -82.88 102.33 11.58 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 122.423 1.106 . . . . 0.0 110.574 173.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.39 141.31 49.84 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.683 1.193 . . . . 0.0 112.648 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.55 35.7 21.53 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.506 1.522 . . . . 0.0 113.539 170.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.48 9.22 77.6 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.37 0.908 . . . . 0.0 115.37 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -131.09 -169.17 2.12 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.209 2.204 . . . . 0.0 111.024 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.34 130.94 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.576 1.15 . . . . 0.0 110.069 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.0 p -106.27 158.36 16.92 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.198 1.799 . . . . 0.0 111.379 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -142.12 138.48 31.68 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.055 1.342 . . . . 0.0 111.585 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -142.42 129.01 20.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.386 1.474 . . . . 0.0 112.108 -175.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -76.93 129.87 36.75 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.573 -0.704 . . . . 0.0 111.437 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.55 104.98 15.43 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.952 2.101 . . . . 0.0 107.568 170.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -94.81 141.08 29.04 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.308 1.443 . . . . 0.0 111.962 -171.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.53 122.25 32.52 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.656 -0.653 . . . . 0.0 111.554 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -136.62 126.86 26.4 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.756 1.222 . . . . 0.0 110.509 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 51.93 28.76 5.41 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.257 1.423 . . . . 0.0 114.674 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.27 84.87 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.497 1.522 . . . . 0.0 115.273 -176.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.36 158.94 15.21 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.315 1.846 . . . . 0.0 111.848 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.2 mm -92.92 118.55 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 125.322 1.449 . . . . 0.0 109.932 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -103.4 148.33 26.03 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.911 1.684 . . . . 0.0 110.885 170.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.9 tt -149.35 116.8 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.386 1.074 . . . . 0.0 109.017 169.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.3 t0 52.55 -102.09 0.13 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.647 1.579 . . . . 0.0 112.73 -168.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.9 p -109.95 -0.98 17.96 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.928 1.691 . . . . 0.0 113.734 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -92.1 148.47 22.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.777 1.631 . . . . 0.0 110.676 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.7 tp -137.45 135.11 36.56 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.42 1.488 . . . . 0.0 111.283 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -140.47 156.88 46.21 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.366 1.867 . . . . 0.0 111.861 -173.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.13 -36.49 84.44 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.486 -0.759 . . . . 0.0 113.036 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -156.35 172.41 18.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.232 1.413 . . . . 0.0 112.386 -172.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.02 -42.32 99.76 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.08 0.952 . . . . 0.0 113.026 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.51 -35.58 80.93 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.828 0.74 . . . . 0.0 112.203 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.53 89.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.939 0.896 . . . . 0.0 112.628 172.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.98 90.42 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.202 0.601 . . . . 0.0 112.347 175.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.33 -50.31 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.28 1.032 . . . . 0.0 110.482 171.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.1 m -59.73 -38.85 82.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.73 1.212 . . . . 0.0 112.409 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.16 -43.02 87.2 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.068 -1.02 . . . . 0.0 111.998 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -80.64 6.22 13.29 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.1 mtt -96.93 -37.77 10.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.507 1.123 . . . . 0.0 109.846 166.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -74.52 -29.24 61.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.631 1.172 . . . . 0.0 113.024 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -129.28 159.41 36.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.231 1.812 . . . . 0.0 111.536 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -75.88 145.84 40.22 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.959 -1.088 . . . . 0.0 111.5 174.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.68 -64.82 1.09 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.762 1.225 . . . . 0.0 110.863 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -139.93 -51.52 0.5 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.47 1.108 . . . . 0.0 111.726 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -111.84 -34.51 5.99 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.104 1.362 . . . . 0.0 111.622 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 t -154.19 -174.95 5.17 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.864 1.266 . . . . 0.0 112.063 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 61.6 p -85.81 169.29 13.5 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.524 1.529 . . . . 0.0 113.025 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.7 mt -76.07 134.43 40.06 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.412 1.485 . . . . 0.0 108.964 168.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -126.95 -37.81 2.08 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -169.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -152.37 146.44 18.38 Favored Pre-proline 0 N--CA 1.474 0.73 0 CA-C-N 118.933 0.788 . . . . 0.0 112.821 172.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.6 147.19 50.91 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.35 2.033 . . . . 0.0 111.341 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 tp . . . . . 0 CA--C 1.547 0.831 0 O-C-N 121.663 -0.648 . . . . 0.0 110.317 169.109 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.924 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -63.95 -28.18 66.66 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.961 2.441 . . . . 0.0 113.506 -173.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -74.73 -10.63 59.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.792 1.237 . . . . 0.0 114.282 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -85.77 131.73 34.26 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.392 1.451 . . . . 0.0 111.711 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -123.13 8.45 9.21 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.61 1.564 . . . . 0.0 114.409 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.08 -145.4 42.94 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 120.757 -1.214 . . . . 0.0 113.575 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.92 54.9 5.06 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 124.458 3.439 . . . . 0.0 113.159 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.55 143.35 48.33 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.687 1.195 . . . . 0.0 110.36 172.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -91.74 160.71 15.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.43 1.092 . . . . 0.0 111.941 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -50.72 -52.84 36.54 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.775 0.83 . . . . 0.0 112.688 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 m -58.18 -34.77 70.69 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -73.66 -42.39 61.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.396 1.078 . . . . 0.0 112.433 174.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.04 99.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.522 0.729 . . . . 0.0 111.971 174.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.29 -45.06 81.72 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.813 1.245 . . . . 0.0 111.811 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -64.52 -30.01 71.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.963 0.801 . . . . 0.0 112.935 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -73.67 -50.51 20.58 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.267 0.627 . . . . 0.0 111.583 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.3 -28.01 53.16 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -174.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.5 tp -64.77 -24.36 67.53 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.322 0.965 . . . . 0.0 112.331 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -91.04 -10.91 40.44 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.499 1.52 . . . . 0.0 113.812 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.5 mmm -97.35 161.68 25.23 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.525 1.53 . . . . 0.0 113.041 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.76 163.56 30.13 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.287 2.658 . . . . 0.0 112.382 170.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.32 143.96 51.7 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.602 1.161 . . . . 0.0 112.717 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.37 9.56 86.84 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.198 0.904 . . . . 0.0 114.431 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.6 m -77.17 128.75 34.94 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.405 1.103 . . . . 0.0 109.537 169.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -135.24 160.09 39.48 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -146.42 158.5 43.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.269 1.427 . . . . 0.0 110.602 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 t -123.8 137.68 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 124.565 1.146 . . . . 0.0 109.644 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -137.51 156.13 48.48 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.223 1.409 . . . . 0.0 111.73 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.07 134.5 55.07 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.12 0.568 . . . . 0.0 109.62 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -167.806 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 . . . . . 0 CA--C 1.54 0.594 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -126.51 167.66 15.32 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -169.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.07 128.29 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.865 1.266 . . . . 0.0 109.867 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.5 tp -88.66 122.72 32.4 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.482 1.513 . . . . 0.0 107.9 169.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 m -112.1 137.4 50.21 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.281 0.632 . . . . 0.0 109.756 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.5 t -139.88 143.23 36.61 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.047 0.939 . . . . 0.0 112.087 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 p -80.38 112.84 18.1 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.194 -0.941 . . . . 0.0 109.351 170.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.52 136.98 38.16 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.619 1.168 . . . . 0.0 112.656 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 55.32 33.08 19.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.368 1.467 . . . . 0.0 113.958 172.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.04 7.75 86.74 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.667 1.127 . . . . 0.0 115.194 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 -170.45 2.45 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.965 2.106 . . . . 0.0 111.094 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.6 t -119.7 135.95 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.115 0.966 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.1 p -117.22 158.1 24.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.577 1.951 . . . . 0.0 111.316 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -139.73 136.6 34.34 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.085 1.354 . . . . 0.0 111.243 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -138.19 124.26 20.23 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.167 1.387 . . . . 0.0 111.541 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -78.57 138.17 38.24 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.411 0.684 . . . . 0.0 112.533 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -118.93 100.81 7.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.495 2.318 . . . . 0.0 107.638 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.6 m -94.03 139.88 30.4 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.352 1.061 . . . . 0.0 111.71 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.07 122.21 29.77 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.689 -0.632 . . . . 0.0 111.824 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -131.23 119.79 22.32 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.136 1.374 . . . . 0.0 109.937 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 51.38 30.44 6.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.089 1.355 . . . . 0.0 113.675 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.74 0.38 87.83 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.709 1.623 . . . . 0.0 115.427 -176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -101.77 160.83 14.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.315 1.846 . . . . 0.0 111.562 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.4 mm -98.78 111.83 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.661 1.584 . . . . 0.0 111.678 -169.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -96.86 121.96 39.3 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.615 1.966 . . . . 0.0 110.281 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 tt -141.31 125.67 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.606 1.162 . . . . 0.0 110.355 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.1 t0 45.86 -112.57 0.36 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.478 1.511 . . . . 0.0 112.833 -172.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.5 p -97.5 -1.74 43.43 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.222 1.409 . . . . 0.0 114.108 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -95.95 168.3 10.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.905 1.682 . . . . 0.0 112.257 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 tp -145.79 128.36 16.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.576 1.55 . . . . 0.0 108.904 169.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -125.86 153.89 43.47 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.462 1.505 . . . . 0.0 111.366 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.97 -35.54 80.87 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -157.35 172.36 18.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.645 1.578 . . . . 0.0 111.516 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.48 -41.73 98.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.807 0.843 . . . . 0.0 112.985 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.87 -35.32 80.24 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.407 -0.808 . . . . 0.0 112.205 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.62 93.69 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.791 0.836 . . . . 0.0 112.59 171.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.01 82.82 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.166 0.586 . . . . 0.0 111.997 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.4 mm -57.78 -49.1 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.035 0.934 . . . . 0.0 110.558 173.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.1 m -60.72 -41.66 95.74 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.584 1.154 . . . . 0.0 112.168 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.43 -43.65 93.05 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.088 -1.007 . . . . 0.0 111.66 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -78.08 3.32 15.24 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.1 mtt -95.05 -38.64 10.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.503 1.121 . . . . 0.0 110.032 166.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -74.46 -28.79 61.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.562 1.145 . . . . 0.0 113.038 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -130.02 157.5 42.19 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.258 1.823 . . . . 0.0 111.289 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -74.38 144.49 44.37 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.061 -1.025 . . . . 0.0 111.592 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -82.6 -64.66 1.13 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.699 1.2 . . . . 0.0 110.867 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -139.72 -55.22 0.56 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.678 1.191 . . . . 0.0 111.588 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -104.64 -35.68 7.73 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.004 1.322 . . . . 0.0 111.569 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 t -153.83 178.4 9.95 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.499 1.119 . . . . 0.0 112.636 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.5 p -80.98 164.54 22.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.653 1.581 . . . . 0.0 112.995 171.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.4 mt -73.14 138.69 45.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.39 1.476 . . . . 0.0 109.439 168.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -130.78 -39.94 1.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -170.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -150.02 144.42 17.6 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 118.794 0.725 . . . . 0.0 112.938 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.46 149.23 55.84 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.405 2.07 . . . . 0.0 111.164 172.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.3 tp . . . . . 0 CA--C 1.546 0.82 0 O-C-N 121.556 -0.715 . . . . 0.0 110.522 169.391 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 CA-C-O 119.358 -0.353 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.83 -23.71 41.17 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.062 2.508 . . . . 0.0 113.336 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -86.91 -5.81 58.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.609 1.563 . . . . 0.0 114.406 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -89.13 130.49 35.56 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.553 1.524 . . . . 0.0 112.479 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -121.16 8.57 10.36 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.262 1.425 . . . . 0.0 114.284 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.74 -145.24 46.59 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 120.939 -1.1 . . . . 0.0 113.101 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -77.8 55.26 5.17 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 124.417 3.412 . . . . 0.0 113.047 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -72.83 141.72 48.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.633 1.173 . . . . 0.0 110.572 174.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.2 m -88.2 160.3 17.78 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.036 0.935 . . . . 0.0 112.367 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -50.8 -54.05 26.83 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.833 0.853 . . . . 0.0 112.559 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -58.42 -36.18 73.23 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -175.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -70.59 -43.73 68.77 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.125 0.97 . . . . 0.0 112.357 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.74 99.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.501 0.72 . . . . 0.0 112.072 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -67.3 -44.78 78.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.755 1.222 . . . . 0.0 111.99 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -65.93 -33.61 76.23 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.236 0.925 . . . . 0.0 112.35 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.2 m -67.43 -47.55 69.87 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.449 0.568 . . . . 0.0 111.917 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.01 -26.92 43.23 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -64.91 -27.13 68.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.505 1.048 . . . . 0.0 112.292 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -85.65 -11.94 52.59 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.099 1.359 . . . . 0.0 113.665 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.0 mmm -99.48 162.02 22.65 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 125.995 1.718 . . . . 0.0 112.508 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.97 163.03 39.94 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.778 2.319 . . . . 0.0 112.114 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.52 138.17 52.23 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.502 1.121 . . . . 0.0 112.253 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.42 4.24 77.22 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.777 1.18 . . . . 0.0 115.273 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.4 m -76.18 129.78 37.26 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.892 0.877 . . . . 0.0 109.291 169.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -134.29 162.6 31.72 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -175.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -148.16 159.3 44.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.373 1.469 . . . . 0.0 111.002 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -122.88 137.61 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.671 1.188 . . . . 0.0 109.856 170.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ptt85 -136.79 153.91 50.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.213 1.405 . . . . 0.0 111.671 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.67 134.79 53.99 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.323 0.649 . . . . 0.0 109.628 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 122.266 1.032 . . . . 0.0 113.592 -169.206 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -121.33 169.78 10.26 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.205 -0.934 . . . . 0.0 112.292 -175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.9 t -137.38 128.03 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.811 1.244 . . . . 0.0 109.92 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 tp -87.92 120.99 29.8 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.781 1.632 . . . . 0.0 108.014 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 m -112.43 136.15 52.27 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.688 0.795 . . . . 0.0 109.745 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 t -140.35 142.99 35.52 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.017 0.927 . . . . 0.0 111.848 -174.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 p -78.96 113.43 17.07 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.008 -1.058 . . . . 0.0 109.014 170.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -140.81 141.3 34.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.149 0.979 . . . . 0.0 112.471 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 56.58 34.48 24.5 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.929 1.292 . . . . 0.0 113.789 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.96 7.86 71.84 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.32 0.962 . . . . 0.0 115.044 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -130.68 -169.28 2.12 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.286 2.235 . . . . 0.0 110.887 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -121.57 133.99 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.412 1.085 . . . . 0.0 110.044 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.5 p -114.05 156.74 23.58 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.505 1.922 . . . . 0.0 111.082 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -138.71 136.06 35.41 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.895 1.278 . . . . 0.0 111.182 -177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -138.55 123.47 18.89 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.27 1.428 . . . . 0.0 110.727 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -81.4 136.0 35.68 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.34 -0.85 . . . . 0.0 112.25 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -108.39 94.3 4.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.679 2.391 . . . . 0.0 107.401 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.5 m -86.24 135.54 33.52 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 124.949 1.3 . . . . 0.0 111.544 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.43 122.86 25.12 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.398 0.679 . . . . 0.0 110.748 172.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -132.65 104.22 6.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.043 1.737 . . . . 0.0 109.081 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 51.54 31.75 8.02 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.992 1.317 . . . . 0.0 113.998 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.17 -1.82 87.61 Favored Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.922 1.725 . . . . 0.0 115.44 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -101.7 170.01 8.45 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.215 1.806 . . . . 0.0 111.367 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.0 mm -104.79 116.83 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.017 1.327 . . . . 0.0 111.272 -170.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -103.03 128.39 49.9 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.622 1.569 . . . . 0.0 109.995 171.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 tt -139.29 127.0 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.956 1.302 . . . . 0.0 110.302 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.6 t70 55.51 -88.98 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.001 1.72 . . . . 0.0 111.854 -167.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.7 p -126.71 -12.81 5.99 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.606 1.563 . . . . 0.0 113.167 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -81.17 137.47 35.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.767 1.627 . . . . 0.0 111.192 -174.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.9 tp -109.39 134.1 52.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.009 1.324 . . . . 0.0 111.18 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -133.49 155.42 49.59 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 126.591 1.956 . . . . 0.0 111.096 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.99 -35.84 81.67 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -156.65 172.41 18.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.537 1.535 . . . . 0.0 111.709 -173.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.22 -42.89 99.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.735 0.814 . . . . 0.0 112.897 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.08 -35.25 80.15 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.564 -0.71 . . . . 0.0 112.377 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.11 91.34 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.58 0.752 . . . . 0.0 112.707 171.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.91 86.05 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.125 0.57 . . . . 0.0 112.17 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.25 -50.29 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.918 0.887 . . . . 0.0 110.389 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.5 m -59.11 -39.0 80.94 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.797 1.239 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -60.52 -46.06 91.53 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.148 -0.97 . . . . 0.0 111.756 173.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -78.37 -5.32 51.93 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.4 mmt -78.86 -37.21 40.9 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.889 -1.132 . . . . 0.0 109.901 166.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -82.74 -37.89 24.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.018 1.327 . . . . 0.0 112.666 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -117.98 150.78 38.68 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.731 1.612 . . . . 0.0 111.952 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.48 138.4 55.19 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.081 -1.012 . . . . 0.0 111.505 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.82 -62.53 1.66 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.751 1.22 . . . . 0.0 110.651 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -142.95 -52.44 0.38 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.643 1.177 . . . . 0.0 111.54 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -110.08 -31.91 7.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.111 1.364 . . . . 0.0 111.857 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -152.49 173.97 14.48 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.757 1.223 . . . . 0.0 112.419 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.9 p -85.12 160.79 19.87 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.77 1.228 . . . . 0.0 111.618 169.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.61 138.0 58.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.357 1.063 . . . . 0.0 110.399 173.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -117.48 -45.18 2.72 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.893 0.877 . . . . 0.0 112.882 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -155.71 147.98 17.56 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 123.799 0.839 . . . . 0.0 113.256 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -70.31 148.03 60.6 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.446 2.097 . . . . 0.0 111.086 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.2 tp . . . . . 0 CA--C 1.542 0.655 0 O-C-N 121.619 -0.676 . . . . 0.0 110.232 169.761 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.958 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.16 -22.39 40.86 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.703 2.269 . . . . 0.0 112.893 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -94.69 -7.02 41.92 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.745 1.618 . . . . 0.0 114.776 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -89.08 132.83 34.61 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.42 1.464 . . . . 0.0 112.514 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -122.51 3.86 9.63 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.514 1.526 . . . . 0.0 114.422 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.74 -139.59 37.09 Favored Glycine 0 CA--C 1.538 1.516 0 CA-C-O 118.563 -1.132 . . . . 0.0 113.261 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -77.39 48.92 2.7 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 124.826 3.684 . . . . 0.0 113.809 -174.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.45 142.29 48.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.007 1.323 . . . . 0.0 110.457 174.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -95.06 169.53 10.05 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.722 0.809 . . . . 0.0 112.126 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -54.54 -52.27 62.59 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.76 0.824 . . . . 0.0 112.123 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 m -58.9 -36.31 74.49 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.358 0.526 . . . . 0.0 112.356 -175.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -71.75 -42.99 66.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.072 0.949 . . . . 0.0 112.162 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.08 99.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.611 0.764 . . . . 0.0 112.124 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.68 -47.71 80.1 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.378 1.471 . . . . 0.0 111.635 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.57 -33.2 75.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.874 0.761 . . . . 0.0 112.351 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -70.24 -48.61 56.15 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.462 0.574 . . . . 0.0 112.236 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mp -79.52 -25.91 41.63 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.63 -26.39 67.04 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.601 1.091 . . . . 0.0 112.208 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.49 -13.0 53.19 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.155 1.382 . . . . 0.0 113.467 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mmm -98.18 162.12 23.12 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 126.105 1.762 . . . . 0.0 112.522 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -71.4 163.93 37.42 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.884 2.389 . . . . 0.0 112.06 171.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.44 140.49 50.33 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.904 1.282 . . . . 0.0 112.255 174.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.11 2.54 80.45 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.077 1.322 . . . . 0.0 115.272 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.4 m -77.62 132.7 38.38 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.357 1.079 . . . . 0.0 110.061 169.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.72 161.94 34.56 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.45 160.61 42.39 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.272 1.429 . . . . 0.0 111.325 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.6 t -123.44 138.32 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.594 1.158 . . . . 0.0 110.037 170.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -137.76 155.01 49.51 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.348 1.459 . . . . 0.0 111.609 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.4 134.29 56.24 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.637 0.775 . . . . 0.0 109.641 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 122.46 1.124 . . . . 0.0 113.891 -168.881 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -127.77 167.76 16.06 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.174 -0.954 . . . . 0.0 112.622 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.2 t -136.42 129.64 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.809 1.244 . . . . 0.0 109.855 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.9 tp -90.4 124.73 35.19 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.048 1.739 . . . . 0.0 107.733 169.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.6 m -118.68 135.77 54.29 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.744 0.818 . . . . 0.0 110.267 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 65.6 m -138.83 138.41 37.49 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.35 1.06 . . . . 0.0 112.385 -170.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 p -78.26 106.77 10.4 Favored 'General case' 0 CA--C 1.527 0.071 0 C-N-CA 123.856 0.862 . . . . 0.0 108.968 169.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -143.17 149.41 37.99 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.05 0.94 . . . . 0.0 112.949 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 56.84 32.68 21.81 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.269 1.428 . . . . 0.0 113.832 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.92 11.22 78.43 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.604 1.097 . . . . 0.0 114.969 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -136.74 -170.13 2.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.317 2.247 . . . . 0.0 110.798 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.82 139.88 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.463 1.105 . . . . 0.0 109.718 171.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.9 p -127.98 156.91 41.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.818 1.647 . . . . 0.0 111.066 -172.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -137.6 140.71 41.11 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.755 1.222 . . . . 0.0 111.707 -174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -140.31 125.3 18.45 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.726 1.61 . . . . 0.0 110.415 -174.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -81.29 135.78 35.74 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.493 -0.754 . . . . 0.0 112.672 -173.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mt -111.79 95.99 5.81 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.249 2.219 . . . . 0.0 107.607 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.7 m -91.5 136.01 33.43 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.648 1.179 . . . . 0.0 111.726 -173.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.2 129.35 34.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.483 0.713 . . . . 0.0 112.338 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -133.15 107.72 8.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.368 1.467 . . . . 0.0 109.94 170.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 51.83 30.41 7.0 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.833 1.253 . . . . 0.0 114.111 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.0 -9.29 77.39 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 126.177 1.846 . . . . 0.0 115.383 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.11 159.52 22.07 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.876 1.338 . . . . 0.0 111.524 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mm -108.15 112.08 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 126.067 1.747 . . . . 0.0 110.575 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -96.54 127.96 43.02 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.031 1.732 . . . . 0.0 109.976 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.9 tt -144.22 127.81 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.151 0.98 . . . . 0.0 111.668 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 55.59 -75.23 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.777 2.431 . . . . 0.0 114.701 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 t -142.05 -2.75 1.13 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.52 1.928 . . . . 0.0 112.84 175.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -100.01 150.67 22.2 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.635 1.974 . . . . 0.0 110.934 -174.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.0 tp -128.03 131.68 49.16 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.439 1.496 . . . . 0.0 110.654 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -131.38 157.48 43.29 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.672 1.589 . . . . 0.0 112.19 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.28 -35.77 82.05 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -157.44 173.05 17.5 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.53 1.532 . . . . 0.0 112.206 -173.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.86 -43.52 98.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.143 0.977 . . . . 0.0 113.095 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.39 -34.99 78.94 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.392 -0.817 . . . . 0.0 112.337 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.48 89.97 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.831 0.853 . . . . 0.0 112.603 172.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.99 81.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.279 0.631 . . . . 0.0 112.088 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.8 mm -57.57 -50.57 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.13 0.972 . . . . 0.0 110.498 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.1 m -60.64 -42.02 96.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.583 1.153 . . . . 0.0 112.178 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -58.84 -43.23 90.68 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.177 -0.952 . . . . 0.0 111.706 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -77.87 4.37 12.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 55.2 mtt -96.71 -36.06 10.8 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.5 1.12 . . . . 0.0 110.188 166.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.61 -28.89 56.3 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.261 1.024 . . . . 0.0 113.076 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -131.1 159.48 37.5 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.37 1.868 . . . . 0.0 111.558 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -73.7 144.11 45.91 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.049 -1.032 . . . . 0.0 111.751 175.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tt -83.01 -63.41 1.37 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.675 1.19 . . . . 0.0 110.618 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -144.51 -65.57 0.35 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.317 1.447 . . . . 0.0 110.338 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -89.78 -35.11 15.9 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.273 1.029 . . . . 0.0 112.809 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -158.97 -176.59 5.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.811 1.644 . . . . 0.0 111.141 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 p -89.87 159.52 16.93 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.634 1.574 . . . . 0.0 112.143 169.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.8 mt -66.33 137.88 57.22 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.065 1.346 . . . . 0.0 110.92 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -113.88 -46.88 2.99 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -152.22 145.73 17.81 Favored Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.79 141.8 31.05 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.837 2.358 . . . . 0.0 111.56 173.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.0 tp . . . . . 0 CA--C 1.54 0.593 0 O-C-N 121.624 -0.673 . . . . 0.0 109.435 168.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.32 -22.65 52.68 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.18 2.587 . . . . 0.0 113.767 -171.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -83.51 -7.5 59.52 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.318 1.447 . . . . 0.0 114.461 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -88.62 131.0 35.15 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.62 1.555 . . . . 0.0 112.56 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -122.85 8.29 9.37 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.408 1.483 . . . . 0.0 114.618 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.82 -142.04 39.31 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 120.74 -1.225 . . . . 0.0 113.574 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -77.6 51.51 3.59 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 124.811 3.674 . . . . 0.0 113.415 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.36 141.16 48.76 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.056 1.343 . . . . 0.0 110.697 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.2 p -83.61 167.67 17.08 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.624 -0.672 . . . . 0.0 112.352 174.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -57.23 -50.92 71.36 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.758 -0.589 . . . . 0.0 110.797 168.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -57.87 -40.45 80.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.696 0.798 . . . . 0.0 112.371 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -67.85 -42.88 80.66 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.359 0.664 . . . . 0.0 112.17 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.18 99.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.517 0.727 . . . . 0.0 112.151 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.48 -45.08 85.05 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.496 1.118 . . . . 0.0 112.019 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -64.96 -33.1 75.23 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.94 0.791 . . . . 0.0 112.299 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -70.61 -50.45 36.92 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.239 0.616 . . . . 0.0 111.934 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.43 -21.73 52.58 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.1 tp -70.45 -28.29 64.9 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.399 1.0 . . . . 0.0 112.249 171.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -79.1 -32.98 44.81 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.304 1.042 . . . . 0.0 112.498 173.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.6 mmm -78.63 161.48 69.24 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 125.51 1.524 . . . . 0.0 113.117 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.67 162.29 40.0 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.217 2.611 . . . . 0.0 112.236 173.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -57.37 132.86 54.35 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.955 1.302 . . . . 0.0 112.14 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.31 0.19 59.77 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.426 1.489 . . . . 0.0 114.475 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 m -74.9 131.9 41.06 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.825 0.85 . . . . 0.0 109.33 169.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -136.56 162.16 33.88 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -148.79 158.75 44.38 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.943 1.297 . . . . 0.0 111.054 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.6 t -122.9 138.85 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.786 1.234 . . . . 0.0 109.915 170.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -139.27 155.86 47.45 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.215 1.406 . . . . 0.0 111.77 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.97 135.31 57.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.484 0.714 . . . . 0.0 109.699 169.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.466 0.331 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -168.632 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -126.74 167.97 15.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.104 0.961 . . . . 0.0 112.273 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -138.43 130.95 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.759 1.224 . . . . 0.0 110.03 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.6 tp -92.09 121.11 33.33 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.426 1.89 . . . . 0.0 108.31 170.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -113.08 134.98 54.28 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.677 0.791 . . . . 0.0 110.027 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 77.4 m -136.55 142.68 43.43 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.546 1.138 . . . . 0.0 112.481 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.9 p -81.8 112.39 18.9 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.304 -0.873 . . . . 0.0 108.784 169.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -138.53 134.86 34.44 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.131 0.973 . . . . 0.0 112.558 -174.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.5 t30 52.63 37.58 23.76 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.395 1.478 . . . . 0.0 113.851 170.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.5 7.16 78.43 Favored Glycine 0 CA--C 1.541 1.682 0 N-CA-C 115.565 0.986 . . . . 0.0 115.565 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -127.48 -172.26 2.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.041 2.137 . . . . 0.0 110.96 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -120.51 135.1 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.459 1.104 . . . . 0.0 110.066 173.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 p -117.88 157.77 26.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.622 1.969 . . . . 0.0 111.192 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -138.0 136.53 37.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.963 1.305 . . . . 0.0 111.1 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -136.7 126.26 25.27 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.446 1.498 . . . . 0.0 111.021 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.95 128.14 33.11 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.549 -0.719 . . . . 0.0 111.644 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.3 87.08 2.95 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.216 2.206 . . . . 0.0 107.286 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 m -82.65 139.41 33.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 125.12 1.368 . . . . 0.0 111.733 -174.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.2 127.9 32.95 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.176 0.591 . . . . 0.0 111.223 173.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -139.73 108.08 5.82 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.489 1.516 . . . . 0.0 109.726 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 53.26 30.65 10.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.888 1.275 . . . . 0.0 113.962 -175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.93 -0.53 89.65 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.954 1.74 . . . . 0.0 115.306 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -102.76 173.93 6.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.675 1.99 . . . . 0.0 111.143 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.4 mm -107.11 119.53 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.151 1.381 . . . . 0.0 111.239 -171.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -105.14 129.47 53.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.722 1.609 . . . . 0.0 109.941 171.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.19 125.51 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.006 1.322 . . . . 0.0 109.778 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 53.36 -101.58 0.12 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.011 1.324 . . . . 0.0 111.174 -167.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.0 p -109.96 -15.17 14.13 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.998 1.319 . . . . 0.0 113.783 170.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -80.94 134.23 35.68 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.546 1.538 . . . . 0.0 111.417 -172.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.7 tp -105.76 134.25 49.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.671 1.188 . . . . 0.0 110.806 170.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -131.92 154.67 49.02 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.736 2.014 . . . . 0.0 110.872 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.64 -36.08 82.67 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -156.42 172.16 18.99 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.506 1.522 . . . . 0.0 111.658 -173.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.34 -43.29 99.12 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.775 0.83 . . . . 0.0 112.949 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -63.82 -35.6 81.17 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.634 -0.666 . . . . 0.0 112.334 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.34 93.34 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.704 0.802 . . . . 0.0 112.602 172.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.53 87.41 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.237 0.615 . . . . 0.0 112.154 176.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.61 -49.08 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.09 0.956 . . . . 0.0 110.452 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.1 m -59.35 -41.16 88.55 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.433 1.093 . . . . 0.0 112.242 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.11 -43.98 91.96 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.118 -0.989 . . . . 0.0 111.789 175.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -79.57 2.34 22.62 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 51.7 mtt -92.14 -37.5 12.7 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.26 1.024 . . . . 0.0 109.895 166.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -76.55 -28.94 56.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.602 1.161 . . . . 0.0 113.115 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.85 156.54 44.2 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.09 1.756 . . . . 0.0 111.622 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.73 144.67 47.56 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.948 -1.095 . . . . 0.0 111.656 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tt -83.19 -62.55 1.56 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.755 1.222 . . . . 0.0 110.866 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -144.0 -54.57 0.36 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.234 1.014 . . . . 0.0 111.687 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.59 -30.92 7.17 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.507 1.523 . . . . 0.0 111.913 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -149.35 176.01 10.93 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.053 1.341 . . . . 0.0 112.26 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.3 p -89.92 167.44 12.81 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.235 1.414 . . . . 0.0 111.787 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 mt -72.66 124.37 25.15 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.324 1.05 . . . . 0.0 109.783 170.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -110.07 -42.55 4.16 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.087 0.955 . . . . 0.0 112.948 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -155.31 146.88 16.93 Favored Pre-proline 0 N--CA 1.472 0.669 0 C-N-CA 123.775 0.83 . . . . 0.0 113.102 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -70.48 145.93 54.36 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.472 2.115 . . . . 0.0 110.927 170.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 tp . . . . . 0 CA--C 1.542 0.642 0 O-C-N 121.559 -0.713 . . . . 0.0 110.381 169.805 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -67.22 -16.76 49.37 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.174 2.583 . . . . 0.0 113.667 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -96.59 -3.07 43.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.369 1.867 . . . . 0.0 114.195 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -90.48 130.68 36.51 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 120.273 1.397 . . . . 0.0 112.941 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -118.83 -0.0 11.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.406 1.483 . . . . 0.0 114.729 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.41 -139.44 35.53 Favored Glycine 0 CA--C 1.54 1.649 0 CA-C-O 118.308 -1.273 . . . . 0.0 113.419 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -65.21 32.48 0.1 Allowed 'Trans proline' 0 CA--C 1.552 1.375 1 C-N-CA 125.848 4.366 . . . . 0.0 117.947 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.13 137.95 56.7 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.161 1.385 . . . . 0.0 111.264 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -94.1 173.36 7.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.083 0.953 . . . . 0.0 112.371 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -54.5 -55.98 23.51 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.984 0.914 . . . . 0.0 111.88 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 m -59.37 -35.43 73.9 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -173.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -69.98 -41.03 74.98 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.9 0.88 . . . . 0.0 112.51 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.92 84.03 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.722 0.809 . . . . 0.0 112.034 173.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -64.68 -47.33 78.77 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.472 1.509 . . . . 0.0 111.763 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -66.79 -16.92 64.6 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.1 m -86.88 -54.37 4.39 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.178 0.991 . . . . 0.0 111.743 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.68 -24.08 61.77 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -175.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.0 -27.07 67.85 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.252 0.933 . . . . 0.0 112.584 172.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -86.14 -22.57 26.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.924 1.29 . . . . 0.0 112.823 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.0 mmm -86.13 161.19 50.19 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 125.985 1.714 . . . . 0.0 112.36 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.23 162.44 41.63 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 122.778 2.318 . . . . 0.0 111.817 172.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -54.4 141.43 30.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.734 1.214 . . . . 0.0 112.252 172.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.51 2.7 82.07 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.224 0.916 . . . . 0.0 114.859 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -79.5 131.17 35.97 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.375 1.087 . . . . 0.0 109.245 169.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -138.79 163.01 33.32 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -150.27 158.19 43.89 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.152 1.381 . . . . 0.0 110.995 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.0 t -122.78 138.41 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.496 1.119 . . . . 0.0 109.986 172.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -141.25 160.26 40.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.16 1.384 . . . . 0.0 112.05 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.99 139.52 58.41 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.379 1.071 . . . . 0.0 111.44 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -171.391 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 CA--C 1.544 0.713 0 CA-C-O 121.457 0.646 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -129.81 174.01 10.12 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.256 1.422 . . . . 0.0 111.785 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.37 127.96 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.808 1.243 . . . . 0.0 110.173 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.7 tp -89.6 123.33 33.57 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.651 1.58 . . . . 0.0 108.041 169.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -116.04 134.16 55.25 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.863 0.865 . . . . 0.0 110.062 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -137.41 144.15 42.25 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.399 1.08 . . . . 0.0 112.591 -170.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.5 p -81.79 115.1 20.85 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 168.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -143.03 136.22 28.19 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.693 1.197 . . . . 0.0 112.217 -174.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 t30 52.84 37.34 23.86 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.934 1.694 . . . . 0.0 113.989 172.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.1 7.93 72.71 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -130.03 -170.4 2.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.286 2.234 . . . . 0.0 110.791 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.15 136.81 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.541 1.136 . . . . 0.0 110.279 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.4 p -120.6 159.16 25.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.692 1.997 . . . . 0.0 111.371 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -140.21 138.13 34.87 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.977 1.311 . . . . 0.0 111.358 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -138.56 127.94 24.49 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.246 1.419 . . . . 0.0 111.895 -174.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -73.14 129.46 38.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.96 0.904 . . . . 0.0 111.431 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.48 97.24 7.1 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.526 1.931 . . . . 0.0 107.497 169.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.1 m -88.23 133.49 34.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.76 1.224 . . . . 0.0 111.359 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.92 125.22 28.94 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.794 -0.566 . . . . 0.0 110.59 172.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -137.24 108.32 6.76 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.636 1.574 . . . . 0.0 109.458 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.6 33.08 7.52 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.265 1.426 . . . . 0.0 114.699 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.86 88.58 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 125.965 1.745 . . . . 0.0 115.397 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -102.83 174.5 5.85 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.089 2.156 . . . . 0.0 111.103 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.3 mm -110.37 121.56 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.544 1.537 . . . . 0.0 111.056 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -105.33 130.49 53.44 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.959 1.704 . . . . 0.0 109.943 171.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.8 tt -139.28 126.8 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.745 1.218 . . . . 0.0 110.167 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.2 t70 55.37 -89.65 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.968 1.707 . . . . 0.0 111.878 -167.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.5 p -125.26 -13.43 6.7 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.442 1.497 . . . . 0.0 113.347 169.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -79.79 134.39 36.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.623 1.569 . . . . 0.0 111.041 -174.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.74 134.29 49.1 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.588 1.155 . . . . 0.0 111.103 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -132.39 155.33 48.65 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 127.065 2.146 . . . . 0.0 110.627 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.01 -35.2 79.91 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -156.74 172.66 18.22 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.347 1.459 . . . . 0.0 111.598 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.0 mt -60.77 -43.26 98.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.768 0.827 . . . . 0.0 112.733 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.01 -35.27 80.15 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.528 -0.733 . . . . 0.0 112.298 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.82 90.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.65 0.78 . . . . 0.0 112.627 172.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.53 85.18 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.493 0.588 . . . . 0.0 112.111 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.3 mm -59.04 -49.84 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.844 0.857 . . . . 0.0 110.292 172.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.6 m -59.25 -38.47 80.13 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.76 1.224 . . . . 0.0 112.422 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -61.45 -46.74 88.79 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.121 -0.987 . . . . 0.0 111.794 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.78 -6.33 51.82 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.4 mmt -75.86 -35.34 59.94 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.76 -1.212 . . . . 0.0 110.136 166.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -88.79 -29.02 20.07 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.996 1.318 . . . . 0.0 113.322 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.18 150.46 48.3 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.608 1.563 . . . . 0.0 112.002 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.53 138.66 55.33 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.006 -1.059 . . . . 0.0 111.503 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -79.79 -62.07 1.8 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.745 1.218 . . . . 0.0 110.579 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -144.25 -50.3 0.29 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.515 1.126 . . . . 0.0 111.543 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -111.48 -33.21 6.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.326 1.45 . . . . 0.0 111.658 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.0 t -152.53 175.03 13.19 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.813 1.245 . . . . 0.0 112.706 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.9 p -89.03 164.09 15.23 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.741 1.616 . . . . 0.0 112.381 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.8 mt -70.12 145.44 51.57 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.315 1.046 . . . . 0.0 110.75 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -128.65 -41.02 1.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -153.22 145.31 16.93 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.09 149.93 37.06 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.76 2.307 . . . . 0.0 111.709 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 166.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 CA-C-O 118.943 -0.551 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -59.76 -30.14 91.32 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.532 2.821 . . . . 0.0 114.413 -168.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -76.43 -9.34 58.57 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.717 1.376 . . . . 0.0 114.717 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -85.19 131.84 34.37 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.642 1.564 . . . . 0.0 112.527 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -122.66 7.92 9.47 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.382 1.473 . . . . 0.0 114.414 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.74 -145.92 46.03 Favored Glycine 0 CA--C 1.539 1.594 0 O-C-N 120.884 -1.135 . . . . 0.0 113.622 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -67.36 39.21 0.17 Allowed 'Trans proline' 0 CA--C 1.549 1.259 1 C-N-CA 125.598 4.199 . . . . 0.0 117.0 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.8 142.18 57.45 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.679 1.192 . . . . 0.0 111.15 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.3 m -96.23 163.71 12.98 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.49 1.116 . . . . 0.0 112.015 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -49.47 -55.72 12.24 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.102 0.961 . . . . 0.0 113.029 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -58.89 -34.37 71.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -72.01 -44.5 63.32 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.064 0.945 . . . . 0.0 112.122 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.3 99.12 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.696 0.798 . . . . 0.0 112.143 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.18 -41.74 94.3 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.657 1.183 . . . . 0.0 112.04 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -63.71 -31.71 72.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.335 0.971 . . . . 0.0 113.403 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.8 m -75.47 -53.79 8.09 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.923 0.783 . . . . 0.0 111.533 172.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -70.72 -24.18 62.6 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.9 tp -70.17 -26.74 64.05 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.133 0.879 . . . . 0.0 112.362 173.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -88.56 -25.29 22.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.006 1.322 . . . . 0.0 112.99 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.6 mmm -79.55 160.82 69.04 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.488 1.515 . . . . 0.0 112.924 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -72.04 163.3 39.21 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.291 2.661 . . . . 0.0 112.331 172.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.79 138.95 55.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.812 1.245 . . . . 0.0 112.509 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 2.13 76.81 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.734 1.159 . . . . 0.0 115.019 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.3 m -77.55 132.27 38.26 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.312 1.056 . . . . 0.0 109.333 169.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -139.38 161.63 36.99 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.6 158.93 44.22 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.973 1.309 . . . . 0.0 111.171 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.91 137.83 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.887 1.275 . . . . 0.0 109.751 172.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -136.26 154.02 51.02 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.239 1.416 . . . . 0.0 111.671 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.97 133.72 55.74 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 169.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.233 0.206 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -167.734 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -128.39 168.15 15.98 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.315 -0.865 . . . . 0.0 112.499 -175.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -137.49 129.85 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.856 1.263 . . . . 0.0 109.832 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.1 tp -90.63 124.2 34.87 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 126.034 1.734 . . . . 0.0 108.161 170.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 m -114.75 134.08 55.39 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.032 0.933 . . . . 0.0 109.719 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -137.15 140.07 41.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.421 1.089 . . . . 0.0 112.355 -172.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 p -81.69 107.97 14.87 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.666 0.786 . . . . 0.0 109.253 169.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -141.4 147.64 38.32 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.26 1.024 . . . . 0.0 112.72 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 57.05 33.3 23.13 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.233 1.413 . . . . 0.0 113.692 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.75 8.26 67.47 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.503 1.049 . . . . 0.0 114.89 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -130.82 -168.58 2.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.874 2.07 . . . . 0.0 111.068 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.21 136.59 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.627 1.171 . . . . 0.0 109.79 173.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.9 p -126.79 158.69 35.93 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.556 1.543 . . . . 0.0 111.599 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -134.44 140.08 45.99 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.108 1.363 . . . . 0.0 111.599 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -138.98 125.61 20.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.398 1.479 . . . . 0.0 110.826 -173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -78.79 130.07 35.33 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.463 -0.773 . . . . 0.0 111.81 -175.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 mt -104.54 91.31 3.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.306 2.243 . . . . 0.0 107.407 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -85.66 136.42 33.38 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.889 1.275 . . . . 0.0 111.575 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.51 126.91 31.65 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.294 0.638 . . . . 0.0 110.899 173.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -137.8 101.9 4.58 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.328 1.451 . . . . 0.0 109.794 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 53.34 30.83 10.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.787 1.235 . . . . 0.0 113.876 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.64 -6.02 84.08 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 126.141 1.829 . . . . 0.0 115.384 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.22 168.47 11.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.899 1.68 . . . . 0.0 111.657 171.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.4 mm -106.29 117.46 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.786 1.634 . . . . 0.0 110.307 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -102.51 128.9 48.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.827 1.651 . . . . 0.0 109.921 172.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.4 tt -139.31 126.19 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.718 1.207 . . . . 0.0 110.202 175.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t70 54.89 -89.13 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.99 1.716 . . . . 0.0 112.055 -167.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.2 p -125.13 -13.59 6.74 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.549 1.539 . . . . 0.0 113.438 169.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -80.44 139.01 36.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.718 1.607 . . . . 0.0 111.102 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.5 tp -114.23 133.83 55.35 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.317 1.447 . . . . 0.0 111.174 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -133.36 156.34 47.81 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.09 1.756 . . . . 0.0 111.753 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -64.4 -36.66 84.87 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -157.05 173.0 17.68 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.404 1.481 . . . . 0.0 111.867 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -62.06 -43.6 98.48 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.921 0.888 . . . . 0.0 113.131 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.72 -34.67 78.4 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.464 -0.772 . . . . 0.0 112.241 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.04 89.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.87 0.868 . . . . 0.0 112.534 172.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.03 87.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.268 0.627 . . . . 0.0 112.128 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.6 mm -59.56 -50.61 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.993 0.917 . . . . 0.0 110.35 171.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.5 m -58.82 -38.9 79.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.924 1.289 . . . . 0.0 112.385 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -59.61 -45.02 93.17 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.177 -0.952 . . . . 0.0 111.77 173.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -78.99 -5.74 54.61 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.9 mmt -77.59 -37.14 51.08 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.843 -1.161 . . . . 0.0 109.905 166.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -85.97 -28.82 23.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.924 1.29 . . . . 0.0 113.476 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -128.48 146.72 50.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.441 1.496 . . . . 0.0 111.877 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.21 136.28 55.67 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.485 -0.76 . . . . 0.0 111.419 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 tt -78.36 -60.46 2.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.37 1.068 . . . . 0.0 110.96 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.05 -50.13 0.43 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.547 1.139 . . . . 0.0 111.317 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -116.39 -32.34 5.3 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.957 1.703 . . . . 0.0 111.799 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -154.56 175.41 13.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.925 1.29 . . . . 0.0 112.995 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.9 m -84.86 158.01 20.75 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.183 1.393 . . . . 0.0 112.048 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.38 146.57 50.94 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.644 1.177 . . . . 0.0 110.907 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -131.95 -41.29 1.03 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -153.8 143.67 15.34 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.58 142.93 41.23 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.615 2.21 . . . . 0.0 110.899 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 CA--C 1.545 0.754 0 O-C-N 121.584 -0.697 . . . . 0.0 109.822 168.727 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -63.5 -25.36 70.23 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 122.612 2.208 . . . . 0.0 112.985 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 -90.58 -9.26 47.75 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.664 1.586 . . . . 0.0 114.933 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -89.47 117.62 28.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.513 1.506 . . . . 0.0 112.563 -175.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -105.18 0.59 27.47 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.811 1.645 . . . . 0.0 113.978 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.25 -132.87 33.33 Favored Glycine 0 CA--C 1.537 1.417 0 CA-C-O 118.286 -1.285 . . . . 0.0 113.542 175.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -76.78 44.68 1.48 Allowed 'Trans proline' 0 CA--C 1.547 1.134 0 C-N-CA 124.757 3.638 . . . . 0.0 113.966 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.45 143.44 44.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.877 1.271 . . . . 0.0 110.616 173.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.6 m -96.19 162.27 13.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.747 1.219 . . . . 0.0 111.792 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -50.2 -52.97 31.25 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.816 0.846 . . . . 0.0 112.776 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 m -58.61 -34.54 71.24 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -175.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -74.07 -41.97 60.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.424 1.09 . . . . 0.0 112.451 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.61 98.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.591 0.756 . . . . 0.0 111.775 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.91 -44.4 80.82 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.897 1.279 . . . . 0.0 111.884 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -63.78 -28.8 70.12 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.108 0.867 . . . . 0.0 113.12 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 m -76.09 -53.68 7.96 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.34 0.656 . . . . 0.0 111.639 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 mp -74.06 -23.49 59.38 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 tp -70.7 -26.96 63.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.338 0.972 . . . . 0.0 112.408 172.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -86.85 -26.72 23.88 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.811 1.244 . . . . 0.0 112.953 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mmm -77.7 160.74 73.9 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.158 1.383 . . . . 0.0 112.767 174.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -70.97 164.43 35.76 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.154 2.569 . . . . 0.0 112.289 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.41 141.1 48.5 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.197 1.399 . . . . 0.0 112.64 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.85 2.88 86.16 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.159 1.361 . . . . 0.0 115.22 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -77.15 130.14 36.92 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.355 1.078 . . . . 0.0 109.974 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -135.04 161.77 34.37 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.58 160.63 42.43 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.295 1.438 . . . . 0.0 111.006 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.6 t -123.31 137.37 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.752 1.221 . . . . 0.0 109.796 171.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.0 ptt85 -136.88 160.39 39.03 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.94 1.296 . . . . 0.0 112.031 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.14 134.71 56.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.254 1.021 . . . . 0.0 110.556 169.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.469 0.486 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -169.16 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 . . . . . 0 CA--C 1.543 0.68 0 CA-C-O 121.267 0.556 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -126.77 169.92 12.7 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.175 1.39 . . . . 0.0 112.117 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.3 t -137.19 129.56 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.67 1.188 . . . . 0.0 109.885 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.3 tp -90.36 125.09 35.42 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 125.609 1.563 . . . . 0.0 107.676 169.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 m -115.17 139.03 50.27 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.563 0.745 . . . . 0.0 109.818 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 t -142.86 137.72 29.77 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.785 0.834 . . . . 0.0 111.826 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -76.52 109.27 10.12 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 124.035 0.934 . . . . 0.0 109.084 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -143.34 144.32 32.04 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.9 t30 54.43 39.57 31.11 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.101 1.76 . . . . 0.0 113.687 171.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.22 8.81 75.7 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.525 1.059 . . . . 0.0 115.255 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -135.13 -172.1 2.97 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.855 2.062 . . . . 0.0 111.203 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.9 t -116.28 138.15 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.562 1.145 . . . . 0.0 109.452 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.5 p -123.34 153.49 40.23 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.629 1.572 . . . . 0.0 110.88 -173.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -138.35 139.93 39.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.74 1.216 . . . . 0.0 111.647 -173.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -141.6 124.21 15.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.412 1.485 . . . . 0.0 110.751 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -78.24 135.68 37.63 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.266 -0.897 . . . . 0.0 112.17 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.6 mt -112.76 95.15 5.26 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.589 2.356 . . . . 0.0 107.502 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.1 m -91.14 144.05 26.04 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.396 1.079 . . . . 0.0 112.102 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.65 124.16 28.3 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.794 -0.566 . . . . 0.0 111.243 173.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -136.49 109.51 7.69 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.652 1.581 . . . . 0.0 109.441 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 52.96 30.3 9.14 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.02 1.328 . . . . 0.0 113.796 -171.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.91 -0.03 87.64 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.796 1.665 . . . . 0.0 115.267 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -101.07 167.1 10.45 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.321 1.848 . . . . 0.0 111.258 175.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.3 mm -97.0 108.4 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.165 1.386 . . . . 0.0 110.977 -170.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -96.85 128.64 44.01 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.932 1.693 . . . . 0.0 110.333 175.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 tt -143.86 114.28 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.303 1.041 . . . . 0.0 110.142 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 t0 49.0 -118.09 1.03 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.099 1.359 . . . . 0.0 112.483 -170.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 42.5 p -87.1 -2.51 58.68 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.176 1.391 . . . . 0.0 113.995 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -100.4 145.66 27.94 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.454 1.502 . . . . 0.0 111.547 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.4 tp -128.88 128.54 44.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.634 1.574 . . . . 0.0 109.604 170.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -125.62 153.79 43.26 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.125 1.77 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.53 -36.05 82.66 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -156.14 171.8 19.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.614 1.565 . . . . 0.0 111.627 -174.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.03 -41.98 99.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.85 0.86 . . . . 0.0 112.976 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.4 -36.04 82.4 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.586 -0.696 . . . . 0.0 112.239 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.4 93.88 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.842 0.857 . . . . 0.0 112.58 172.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.57 76.81 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.326 0.651 . . . . 0.0 111.917 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.3 mm -56.91 -49.43 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.144 0.978 . . . . 0.0 110.58 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.6 m -60.87 -42.72 98.46 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.759 1.223 . . . . 0.0 112.116 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -59.71 -43.76 93.99 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.233 -0.917 . . . . 0.0 111.522 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -76.95 -0.01 22.73 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.6 mtt -92.47 -37.75 12.35 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.533 1.133 . . . . 0.0 110.399 166.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.93 -33.66 59.86 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.7 1.2 . . . . 0.0 112.52 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -128.64 153.5 47.22 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.284 1.834 . . . . 0.0 111.457 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.4 140.45 57.17 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.41 -0.806 . . . . 0.0 111.647 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tt -79.25 -62.11 1.8 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.68 1.192 . . . . 0.0 110.506 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.03 -63.32 0.32 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.299 1.439 . . . . 0.0 110.644 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -92.31 -34.07 14.36 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.411 1.084 . . . . 0.0 112.79 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -160.05 -175.49 5.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.001 1.72 . . . . 0.0 111.056 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.4 m -86.62 155.39 20.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.585 1.554 . . . . 0.0 112.04 170.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.98 140.73 58.32 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.654 1.182 . . . . 0.0 110.682 169.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -118.29 -46.68 2.59 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -151.61 144.49 16.96 Favored Pre-proline 0 N--CA 1.475 0.793 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -73.9 140.89 29.36 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.999 2.466 . . . . 0.0 111.54 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.1 tp . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 123.548 0.739 . . . . 0.0 111.009 170.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.927 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -66.21 -23.42 52.45 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.998 2.465 . . . . 0.0 113.644 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -84.72 -7.16 59.32 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.335 1.454 . . . . 0.0 114.315 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -89.58 129.56 36.02 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.617 1.553 . . . . 0.0 112.284 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -122.74 9.89 9.57 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.091 1.356 . . . . 0.0 114.301 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.76 -142.47 43.72 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-O 118.66 -1.078 . . . . 0.0 113.288 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -77.64 54.89 4.97 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.429 3.42 . . . . 0.0 113.23 -176.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.88 136.7 43.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.632 1.173 . . . . 0.0 110.586 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.4 m -82.63 159.94 22.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.783 0.833 . . . . 0.0 112.051 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -50.94 -53.82 29.56 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.589 0.756 . . . . 0.0 112.388 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -58.2 -36.28 72.87 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.23 -43.8 69.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.143 0.977 . . . . 0.0 112.287 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.9 99.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.414 0.686 . . . . 0.0 112.017 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.97 -43.55 78.72 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.728 1.211 . . . . 0.0 112.358 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -65.77 -34.45 78.2 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.366 0.984 . . . . 0.0 112.107 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -67.52 -50.47 58.6 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.029 0.531 . . . . 0.0 111.794 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.68 -22.94 53.29 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -72.45 -28.15 62.75 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.301 0.955 . . . . 0.0 112.248 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -78.54 -33.09 48.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.348 1.059 . . . . 0.0 112.455 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.6 mmm -77.09 161.66 72.5 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.29 1.436 . . . . 0.0 113.103 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.46 164.16 36.43 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.207 2.605 . . . . 0.0 112.651 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -54.53 132.34 44.67 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.486 1.514 . . . . 0.0 112.266 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.41 3.32 65.01 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.413 1.482 . . . . 0.0 114.912 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.7 m -75.67 131.81 40.15 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.794 0.838 . . . . 0.0 109.736 169.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -133.93 161.84 33.67 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -148.24 160.73 42.65 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.975 1.31 . . . . 0.0 111.394 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.82 138.22 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 124.901 1.281 . . . . 0.0 109.988 171.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -138.67 155.3 48.39 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.501 1.52 . . . . 0.0 111.572 -176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.7 135.08 56.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.483 0.713 . . . . 0.0 109.808 169.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 122.184 0.992 . . . . 0.0 113.613 -168.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 120.985 0.421 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -122.82 167.7 13.19 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.493 1.117 . . . . 0.0 111.972 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.27 129.96 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.928 1.291 . . . . 0.0 109.825 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.7 tp -91.03 125.35 35.8 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 126.229 1.812 . . . . 0.0 108.058 169.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -115.15 138.91 50.37 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.919 0.887 . . . . 0.0 109.897 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.5 t -144.43 139.22 28.23 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.884 0.873 . . . . 0.0 112.402 -175.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 p -79.7 100.99 8.15 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.376 1.07 . . . . 0.0 110.494 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -138.56 154.16 48.72 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -177.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 56.65 30.45 17.47 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.46 1.504 . . . . 0.0 113.844 172.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.22 12.31 79.64 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.189 0.899 . . . . 0.0 114.77 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -136.13 -166.65 1.91 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.848 2.459 . . . . 0.0 110.255 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.76 138.77 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.363 1.065 . . . . 0.0 109.312 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.1 p -122.43 154.59 37.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.829 1.652 . . . . 0.0 111.115 -173.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -137.05 140.46 42.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.78 1.232 . . . . 0.0 111.726 -175.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -141.45 128.9 21.27 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.642 1.577 . . . . 0.0 110.476 -174.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -76.63 131.26 38.76 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.206 -0.934 . . . . 0.0 112.408 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 mt -103.92 89.82 3.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.246 2.218 . . . . 0.0 107.256 170.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.9 m -85.26 136.98 33.27 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.668 1.587 . . . . 0.0 111.937 -172.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.14 128.49 33.81 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.53 -0.731 . . . . 0.0 111.329 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -142.48 110.42 5.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.114 1.366 . . . . 0.0 110.141 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.62 32.56 6.95 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.254 1.422 . . . . 0.0 114.748 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.28 -2.64 88.05 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 126.033 1.778 . . . . 0.0 115.354 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.18 167.15 11.05 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.696 1.999 . . . . 0.0 111.792 173.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.7 mm -104.82 116.45 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.967 1.707 . . . . 0.0 110.307 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -98.18 139.38 34.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.582 1.553 . . . . 0.0 110.999 170.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 tt -152.59 129.36 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.979 0.912 . . . . 0.0 111.366 174.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 55.48 -75.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.69 2.396 . . . . 0.0 114.533 -172.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.7 t -140.81 -4.85 1.19 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.491 1.916 . . . . 0.0 112.957 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -96.3 157.28 15.97 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.619 1.968 . . . . 0.0 111.41 -174.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.8 tp -133.1 134.22 43.97 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.639 1.576 . . . . 0.0 110.688 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -135.14 156.37 49.11 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.017 1.727 . . . . 0.0 112.136 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.94 -36.37 83.74 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -156.7 172.83 17.91 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.379 1.472 . . . . 0.0 112.179 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.63 -43.15 99.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.134 0.974 . . . . 0.0 113.167 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.88 -35.02 79.28 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.531 -0.73 . . . . 0.0 112.401 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.87 91.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.826 0.85 . . . . 0.0 112.608 172.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.94 83.98 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.342 0.657 . . . . 0.0 112.164 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.56 -51.06 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.197 0.999 . . . . 0.0 110.484 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -60.07 -42.01 93.63 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.593 1.157 . . . . 0.0 112.172 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -58.0 -43.76 86.84 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.199 -0.938 . . . . 0.0 111.713 173.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -78.19 2.31 18.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.2 mtt -93.5 -35.65 12.83 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.25 1.02 . . . . 0.0 110.247 166.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.33 -28.8 47.37 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.348 1.059 . . . . 0.0 113.237 175.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -131.87 151.76 51.48 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.972 1.709 . . . . 0.0 111.638 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.87 140.2 56.54 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.535 -0.728 . . . . 0.0 111.669 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tt -81.27 -61.82 1.84 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.471 1.108 . . . . 0.0 110.731 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.4 -70.23 0.36 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.246 1.418 . . . . 0.0 110.322 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -90.61 -31.4 16.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.135 0.974 . . . . 0.0 113.135 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 t -158.23 -178.11 7.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.465 1.506 . . . . 0.0 111.578 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.7 m -85.84 157.06 20.31 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.592 1.557 . . . . 0.0 111.89 170.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.6 138.87 58.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.399 1.08 . . . . 0.0 110.647 169.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -114.46 -49.71 2.82 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -152.26 147.4 19.57 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -70.37 150.0 63.85 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.374 2.05 . . . . 0.0 111.175 171.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.9 tp . . . . . 0 CA--C 1.542 0.65 0 O-C-N 121.494 -0.754 . . . . 0.0 109.589 169.235 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -65.29 -23.01 59.75 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.097 2.532 . . . . 0.0 113.545 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -86.61 -5.93 59.0 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.655 1.582 . . . . 0.0 114.379 174.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -90.57 131.48 36.27 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.605 1.548 . . . . 0.0 112.673 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -124.19 10.75 8.74 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.384 1.474 . . . . 0.0 114.589 -175.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.1 -146.02 45.57 Favored Glycine 0 CA--C 1.539 1.558 0 O-C-N 120.682 -1.261 . . . . 0.0 113.944 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -66.99 37.32 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.207 1 C-N-CA 125.71 4.273 . . . . 0.0 117.095 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 tp -65.05 140.78 58.87 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.986 1.314 . . . . 0.0 110.961 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -93.86 170.61 9.43 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.854 0.862 . . . . 0.0 112.03 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -54.07 -53.82 47.92 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.913 0.885 . . . . 0.0 111.928 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -58.74 -37.18 75.62 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.087 0.555 . . . . 0.0 112.467 -173.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -69.57 -43.63 72.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.105 0.962 . . . . 0.0 112.239 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.71 97.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.535 0.734 . . . . 0.0 112.086 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -64.72 -45.58 85.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.14 1.376 . . . . 0.0 111.763 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.93 -34.12 77.39 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.036 0.835 . . . . 0.0 112.225 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.9 m -69.2 -49.12 59.5 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.081 0.552 . . . . 0.0 112.048 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.96 -23.35 44.63 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.9 tp -70.56 -27.1 63.88 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.482 1.037 . . . . 0.0 112.167 171.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -78.53 -33.04 48.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.504 1.121 . . . . 0.0 112.611 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.4 mmm -78.06 161.73 69.78 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.45 1.5 . . . . 0.0 113.114 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.83 163.57 38.05 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.259 2.639 . . . . 0.0 112.531 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -54.46 132.77 45.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.372 1.469 . . . . 0.0 112.08 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.31 2.24 64.01 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.088 1.328 . . . . 0.0 114.937 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.6 m -75.65 134.23 40.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.835 0.854 . . . . 0.0 109.597 169.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -137.25 162.62 33.02 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -148.26 159.53 43.89 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.074 1.35 . . . . 0.0 111.341 174.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.0 139.72 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 124.776 1.231 . . . . 0.0 109.936 170.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -139.46 154.71 47.8 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.311 1.444 . . . . 0.0 111.718 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.72 133.94 55.56 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 168.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--O 1.234 0.274 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 -167.441 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -126.87 165.96 18.37 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.179 -0.951 . . . . 0.0 112.681 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -137.47 130.33 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.977 1.311 . . . . 0.0 109.818 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.8 tp -92.16 124.23 36.09 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 126.076 1.75 . . . . 0.0 108.142 170.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -116.18 135.78 53.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.88 0.872 . . . . 0.0 109.972 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.0 m -137.99 141.64 40.45 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.32 1.048 . . . . 0.0 112.509 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.0 p -82.61 101.98 11.14 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.093 0.957 . . . . 0.0 110.027 172.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -139.93 151.86 45.92 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 56.57 30.68 17.72 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.194 1.398 . . . . 0.0 113.84 170.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.41 12.5 80.08 Favored Glycine 0 CA--C 1.54 1.641 0 C-N-CA 124.391 0.996 . . . . 0.0 114.913 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -137.46 -167.28 2.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.722 2.409 . . . . 0.0 110.512 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.61 135.61 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.399 1.08 . . . . 0.0 109.469 170.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.0 p -121.84 158.98 27.72 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.42 1.488 . . . . 0.0 111.53 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -133.91 141.14 47.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.155 1.382 . . . . 0.0 111.307 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -138.34 126.92 23.41 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.576 1.55 . . . . 0.0 110.73 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -74.53 127.95 34.35 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.534 -0.729 . . . . 0.0 111.869 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.3 mt -105.61 80.44 1.56 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.038 2.135 . . . . 0.0 107.231 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.9 m -78.71 141.43 37.91 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.102 1.361 . . . . 0.0 111.816 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.16 129.22 34.23 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.773 -0.579 . . . . 0.0 111.34 174.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -141.51 112.09 7.07 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.442 1.497 . . . . 0.0 109.754 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 52.35 31.16 9.06 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.028 1.331 . . . . 0.0 114.429 -176.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.21 2.02 90.5 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.685 1.612 . . . . 0.0 115.196 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -109.15 174.43 5.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.118 2.167 . . . . 0.0 111.117 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.4 mm -105.6 119.97 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.114 1.366 . . . . 0.0 111.19 -171.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -105.29 128.36 53.42 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.874 1.669 . . . . 0.0 109.909 171.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.3 tt -139.18 122.08 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.166 1.386 . . . . 0.0 109.508 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.4 t70 51.88 -113.97 0.78 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.32 1.048 . . . . 0.0 110.367 -167.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.3 p -93.66 -18.59 21.98 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.654 1.116 . . . . 0.0 113.904 171.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -79.41 134.95 36.57 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.37 1.468 . . . . 0.0 111.778 -170.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.9 tp -108.62 132.96 53.37 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.837 1.255 . . . . 0.0 110.48 169.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -130.25 153.81 48.23 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 126.662 1.985 . . . . 0.0 110.846 177.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -65.31 -36.25 83.48 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -156.4 172.48 18.44 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.545 1.538 . . . . 0.0 111.617 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.21 -42.4 99.27 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.735 0.814 . . . . 0.0 113.087 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.27 -35.52 81.11 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.623 -0.673 . . . . 0.0 112.196 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.28 93.36 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.71 0.804 . . . . 0.0 112.642 172.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.37 80.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.239 0.615 . . . . 0.0 112.085 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -58.27 -49.13 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.893 0.877 . . . . 0.0 110.548 173.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.7 m -60.02 -40.6 89.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.683 1.193 . . . . 0.0 112.184 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.96 -45.3 95.31 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.183 -0.948 . . . . 0.0 111.599 173.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -77.27 -4.87 47.11 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 177.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.9 mmt -80.23 -38.19 31.55 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.849 -1.157 . . . . 0.0 110.06 166.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.37 -29.06 26.55 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.894 1.278 . . . . 0.0 113.481 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -128.51 155.17 45.28 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.95 1.7 . . . . 0.0 111.715 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.25 138.99 52.1 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.086 -1.009 . . . . 0.0 111.675 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 tt -80.35 -61.13 2.07 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.799 1.24 . . . . 0.0 110.468 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -146.32 -62.72 0.31 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.322 1.449 . . . . 0.0 110.609 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -92.61 -34.92 13.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.336 1.054 . . . . 0.0 112.878 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -158.42 -176.86 6.14 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.693 1.597 . . . . 0.0 111.016 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 p -89.82 161.07 16.18 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.771 1.628 . . . . 0.0 112.228 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.87 146.26 55.16 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.837 1.255 . . . . 0.0 111.21 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -121.51 -48.53 2.17 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -153.39 146.99 18.24 Favored Pre-proline 0 CA--C 1.544 0.732 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.65 147.6 57.48 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.599 2.2 . . . . 0.0 111.082 171.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.9 tp . . . . . 0 CA--C 1.544 0.727 0 O-C-N 121.691 -0.631 . . . . 0.0 110.554 169.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.938 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -64.01 -25.86 66.35 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.199 2.6 . . . . 0.0 113.917 -169.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -78.25 -10.04 59.48 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.896 1.278 . . . . 0.0 114.296 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -92.86 128.37 38.7 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 120.563 1.529 . . . . 0.0 112.612 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -119.46 1.82 11.22 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.192 1.397 . . . . 0.0 114.581 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.78 -133.92 37.74 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.739 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -77.8 49.94 3.1 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 124.551 3.5 . . . . 0.0 113.815 -173.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 tp -73.42 152.07 40.93 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.873 1.269 . . . . 0.0 110.776 171.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.4 m -103.56 161.87 13.52 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.958 1.303 . . . . 0.0 112.039 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -54.67 -45.77 73.94 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.55 -0.718 . . . . 0.0 112.459 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 m -58.93 -38.43 78.96 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.786 0.834 . . . . 0.0 112.548 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.49 -41.11 69.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.913 0.885 . . . . 0.0 111.964 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.2 98.48 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.229 0.612 . . . . 0.0 112.134 174.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.96 -49.89 74.29 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.885 1.274 . . . . 0.0 111.735 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -65.19 -29.71 70.55 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.547 0.612 . . . . 0.0 112.511 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.3 m -74.3 -47.62 33.55 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.26 0.624 . . . . 0.0 112.506 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -81.22 -25.82 36.39 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -66.0 -24.13 66.71 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.644 1.111 . . . . 0.0 112.182 173.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -80.14 -20.56 44.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.176 1.39 . . . . 0.0 113.12 172.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.2 mmm -98.32 160.41 28.26 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 125.843 1.657 . . . . 0.0 113.088 -174.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -72.01 160.29 47.94 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.174 2.583 . . . . 0.0 112.263 174.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -57.0 134.08 55.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.202 1.401 . . . . 0.0 112.866 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.73 2.58 67.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.658 1.123 . . . . 0.0 114.951 -174.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.3 m -77.39 128.48 34.33 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.517 1.159 . . . . 0.0 109.199 168.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -135.93 162.08 33.85 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 pp -145.67 161.26 40.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.208 1.403 . . . . 0.0 111.314 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.06 139.46 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.221 1.408 . . . . 0.0 109.568 171.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 ptt85 -137.27 160.83 37.9 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.091 1.356 . . . . 0.0 111.805 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.58 133.92 53.28 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.501 1.12 . . . . 0.0 110.241 169.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 t . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -169.529 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 121.136 0.493 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -122.85 171.07 9.47 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.192 0.997 . . . . 0.0 111.397 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.0 t -134.66 126.29 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.253 1.021 . . . . 0.0 109.671 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.5 tp -87.03 123.22 31.89 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.282 1.433 . . . . 0.0 107.7 169.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -115.17 136.24 53.32 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.515 0.726 . . . . 0.0 109.893 172.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.5 t -139.52 144.12 37.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.944 0.898 . . . . 0.0 112.052 -174.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.4 p -78.59 114.14 17.24 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.256 -0.903 . . . . 0.0 108.873 170.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -142.02 136.29 30.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.437 1.095 . . . . 0.0 112.4 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 t30 52.64 37.53 23.64 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.055 1.742 . . . . 0.0 114.01 173.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 8.43 74.73 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.24 0.924 . . . . 0.0 115.376 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -130.39 -170.3 2.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.328 2.251 . . . . 0.0 110.692 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -122.54 134.31 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.341 1.057 . . . . 0.0 110.245 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.7 p -113.26 159.47 19.31 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.462 1.905 . . . . 0.0 111.46 -177.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -140.92 136.92 32.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.195 1.398 . . . . 0.0 111.054 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -140.35 128.0 21.65 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.191 1.396 . . . . 0.0 111.412 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.53 134.82 48.05 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.935 0.789 . . . . 0.0 112.223 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.08 81.07 1.44 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.946 2.498 . . . . 0.0 105.829 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.6 m -77.77 139.92 39.4 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 124.958 1.303 . . . . 0.0 111.623 -172.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.5 127.94 32.87 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.106 0.563 . . . . 0.0 111.293 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -139.8 106.78 5.43 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.682 1.593 . . . . 0.0 109.55 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 51.88 31.5 8.49 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.917 1.287 . . . . 0.0 114.222 -174.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.01 -0.87 89.32 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.749 1.643 . . . . 0.0 115.33 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -103.03 172.61 6.72 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.667 1.987 . . . . 0.0 111.237 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.4 mm -107.96 118.63 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.072 1.349 . . . . 0.0 111.368 -169.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -104.99 127.92 53.06 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.023 1.729 . . . . 0.0 110.159 173.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.5 tt -139.21 127.33 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.768 1.227 . . . . 0.0 110.687 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 55.88 -83.43 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.381 1.873 . . . . 0.0 112.35 -168.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.5 p -134.37 -12.27 2.42 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.734 2.013 . . . . 0.0 113.009 171.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -81.51 136.99 35.63 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.706 1.602 . . . . 0.0 110.972 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.0 tp -106.94 133.21 51.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.717 1.207 . . . . 0.0 110.882 171.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.39 153.25 48.92 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 126.469 1.908 . . . . 0.0 111.138 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.49 -35.58 81.31 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -155.96 172.52 18.24 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.645 1.578 . . . . 0.0 111.252 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -47.85 84.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.875 0.87 . . . . 0.0 112.159 -177.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -64.12 -32.05 73.47 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.948 0.899 . . . . 0.0 112.753 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.19 86.77 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.57 -0.707 . . . . 0.0 112.578 171.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.59 81.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.123 0.569 . . . . 0.0 112.002 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.2 mm -57.88 -51.67 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-O 121.514 0.673 . . . . 0.0 109.897 171.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.0 m -59.2 -40.7 86.6 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.264 1.426 . . . . 0.0 112.265 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -60.24 -45.08 94.47 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.323 -0.861 . . . . 0.0 111.927 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -80.22 -3.84 50.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.6 mmt -80.37 -38.8 29.7 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.955 -1.091 . . . . 0.0 109.654 166.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -82.1 -29.66 31.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.867 1.267 . . . . 0.0 113.472 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -127.29 152.99 46.72 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.596 1.558 . . . . 0.0 111.803 -177.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -69.43 140.4 54.11 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.009 -1.057 . . . . 0.0 111.442 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.36 -62.89 1.55 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.903 1.281 . . . . 0.0 110.883 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.82 -48.76 0.29 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.605 1.162 . . . . 0.0 111.318 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -112.64 -33.92 5.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.653 1.581 . . . . 0.0 111.558 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -152.94 174.27 14.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.708 1.203 . . . . 0.0 112.906 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.8 p -88.53 159.13 18.07 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.755 1.622 . . . . 0.0 112.824 174.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.9 mt -67.32 143.35 56.44 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.504 1.122 . . . . 0.0 110.111 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -134.1 -38.97 0.86 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -154.58 146.56 17.17 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.58 147.55 57.86 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 122.366 2.044 . . . . 0.0 110.75 169.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.7 tp . . . . . 0 CA--C 1.542 0.662 0 O-C-N 121.525 -0.734 . . . . 0.0 109.53 168.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.915 0 CA-C-O 119.058 -0.496 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.59 -26.83 53.79 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.848 2.365 . . . . 0.0 113.586 -171.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -79.35 -8.25 58.94 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.357 1.463 . . . . 0.0 114.392 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -83.43 133.27 34.93 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.444 1.475 . . . . 0.0 112.012 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -123.8 7.63 8.75 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.475 1.51 . . . . 0.0 114.203 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -147.81 48.72 Favored Glycine 0 CA--C 1.539 1.555 0 O-C-N 120.964 -1.085 . . . . 0.0 113.604 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -68.64 42.58 0.28 Allowed 'Trans proline' 0 CA--C 1.548 1.192 1 C-N-CA 125.459 4.106 . . . . 0.0 116.513 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.32 140.08 58.08 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.681 1.192 . . . . 0.0 110.953 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 m -88.47 161.32 17.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.174 0.989 . . . . 0.0 112.296 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -50.49 -53.9 26.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.857 0.863 . . . . 0.0 112.629 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -58.26 -36.69 73.61 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.12 -43.45 70.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.192 0.997 . . . . 0.0 112.234 174.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.2 99.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.549 0.74 . . . . 0.0 111.946 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.44 -45.19 76.76 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.647 1.179 . . . . 0.0 112.19 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -65.61 -32.38 73.93 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.167 0.894 . . . . 0.0 112.284 176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -69.8 -50.75 40.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.979 0.512 . . . . 0.0 111.97 175.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.21 -24.23 51.35 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -175.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.4 tp -70.6 -27.29 63.99 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.486 1.039 . . . . 0.0 112.261 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -78.19 -32.99 50.34 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.543 1.137 . . . . 0.0 112.475 172.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mmm -78.79 161.3 69.54 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.604 1.562 . . . . 0.0 113.254 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -71.18 160.87 47.7 Favored 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 123.102 2.534 . . . . 0.0 112.236 172.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -57.35 133.43 55.13 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.088 1.355 . . . . 0.0 112.192 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.56 1.94 61.88 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.192 1.377 . . . . 0.0 114.553 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.4 m -76.64 130.03 37.23 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.818 0.847 . . . . 0.0 108.99 168.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -136.39 162.5 32.85 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -176.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -147.29 158.61 44.02 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.08 1.352 . . . . 0.0 110.774 175.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -122.56 136.2 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 124.596 1.158 . . . . 0.0 109.526 171.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -134.9 154.46 51.67 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.995 1.318 . . . . 0.0 111.493 -175.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.75 133.17 51.49 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.335 0.654 . . . . 0.0 109.477 169.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -168.773 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 N--CA 1.472 0.654 0 CA-C-O 121.256 0.551 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -114.68 169.63 8.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.865 1.266 . . . . 0.0 111.401 173.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.63 129.97 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.85 1.26 . . . . 0.0 110.002 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.7 tp -89.43 124.99 34.98 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 125.977 1.711 . . . . 0.0 108.071 169.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -114.96 136.6 52.94 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.631 0.772 . . . . 0.0 109.749 171.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 19.3 t -139.84 142.8 36.58 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.018 0.927 . . . . 0.0 111.887 -174.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.3 p -79.99 111.63 16.51 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 122.046 0.927 . . . . 0.0 109.369 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -134.57 133.0 39.77 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.313 1.045 . . . . 0.0 112.84 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 52.42 37.35 22.42 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.526 1.53 . . . . 0.0 113.731 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.58 7.06 82.7 Favored Glycine 0 CA--C 1.54 1.595 0 N-CA-C 115.582 0.993 . . . . 0.0 115.582 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 -170.02 2.24 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.881 2.073 . . . . 0.0 110.909 174.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.03 136.49 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.986 0.914 . . . . 0.0 110.953 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -117.18 158.19 24.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.543 1.937 . . . . 0.0 111.416 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -138.66 136.96 36.41 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.014 1.326 . . . . 0.0 111.285 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -139.24 129.6 25.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.643 1.577 . . . . 0.0 111.144 -175.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -70.24 137.65 51.0 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.25 -0.906 . . . . 0.0 112.502 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.4 mt -111.64 81.12 1.4 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.474 2.31 . . . . 0.0 105.962 168.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.3 m -80.2 143.07 34.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.897 1.279 . . . . 0.0 112.131 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.17 129.48 35.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.435 0.694 . . . . 0.0 112.111 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -133.64 105.51 6.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.413 1.485 . . . . 0.0 109.785 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 51.68 31.89 8.54 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.993 1.317 . . . . 0.0 114.075 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.56 -9.13 78.2 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.983 1.754 . . . . 0.0 115.375 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -85.1 162.08 19.42 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.274 1.43 . . . . 0.0 111.495 170.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.9 mm -109.98 119.58 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.851 1.66 . . . . 0.0 110.652 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -103.22 129.23 50.11 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.306 1.842 . . . . 0.0 110.235 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.3 tt -139.49 129.77 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.301 1.04 . . . . 0.0 110.827 172.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.43 -85.46 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.411 1.884 . . . . 0.0 112.336 -168.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -131.27 -11.5 3.63 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.49 1.916 . . . . 0.0 112.867 171.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -86.85 139.58 30.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.919 2.087 . . . . 0.0 111.18 -171.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.7 tp -115.29 135.75 53.83 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.082 1.353 . . . . 0.0 111.723 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -134.25 156.99 47.43 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.362 1.865 . . . . 0.0 111.931 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.05 -34.9 79.53 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -156.85 171.94 19.52 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.194 1.397 . . . . 0.0 112.557 -172.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.07 -41.51 99.45 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.192 0.997 . . . . 0.0 113.227 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.42 -35.08 79.75 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.428 -0.795 . . . . 0.0 112.38 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.2 90.12 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.807 0.843 . . . . 0.0 112.489 171.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.7 80.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.494 0.718 . . . . 0.0 112.738 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.81 -51.39 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.32 1.048 . . . . 0.0 110.189 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.2 m -57.44 -37.5 72.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.855 1.262 . . . . 0.0 112.964 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.58 -44.77 73.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.867 0.867 . . . . 0.0 112.304 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -87.38 1.39 53.49 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.9 mmt -83.63 -34.6 25.03 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.032 -1.042 . . . . 0.0 109.916 166.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.86 -33.46 62.1 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.925 1.29 . . . . 0.0 112.862 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -145.22 168.58 20.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.875 1.27 . . . . 0.0 112.607 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -63.64 146.19 54.26 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.178 0.991 . . . . 0.0 112.516 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 tt -84.36 -61.39 1.82 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.712 1.605 . . . . 0.0 110.672 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -141.31 -50.97 0.43 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.733 1.213 . . . . 0.0 111.112 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.21 -36.38 5.61 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.834 1.653 . . . . 0.0 111.449 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -150.58 169.96 20.29 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.692 1.197 . . . . 0.0 112.702 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.3 p -87.92 164.84 15.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.212 1.405 . . . . 0.0 112.549 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.5 mt -71.62 136.37 47.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.479 0.712 . . . . 0.0 109.359 169.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -125.76 -42.5 1.91 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.963 0.905 . . . . 0.0 112.988 -176.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -153.48 145.19 16.68 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 123.608 0.763 . . . . 0.0 113.009 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -69.71 152.2 69.5 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.439 2.092 . . . . 0.0 110.735 169.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.6 tp . . . . . 0 CA--C 1.546 0.822 0 C-N-CA 123.814 0.846 . . . . 0.0 111.346 169.318 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -60.08 -29.84 90.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.904 3.07 . . . . 0.0 114.797 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -71.65 -12.64 61.44 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -83.36 121.64 27.42 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.472 1.487 . . . . 0.0 111.7 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -114.36 0.81 14.23 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.262 1.425 . . . . 0.0 113.693 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.48 -129.59 42.7 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-O 118.378 -1.234 . . . . 0.0 113.359 174.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -77.14 49.74 2.91 Favored 'Trans proline' 0 CA--C 1.548 1.192 0 C-N-CA 124.475 3.45 . . . . 0.0 113.752 -173.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 tp -74.84 148.28 40.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.966 1.306 . . . . 0.0 109.817 172.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 p -84.7 163.11 19.4 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.195 -0.941 . . . . 0.0 112.038 170.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -61.3 -41.22 96.62 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.481 -0.762 . . . . 0.0 111.18 170.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.6 m -61.09 -42.25 98.15 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.528 1.131 . . . . 0.0 112.12 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -69.12 -38.6 78.96 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.558 -0.714 . . . . 0.0 112.105 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.56 98.51 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.151 0.58 . . . . 0.0 111.934 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.47 -46.91 86.35 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.657 0.783 . . . . 0.0 112.137 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.64 -31.14 72.0 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.677 -0.639 . . . . 0.0 112.54 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -71.36 -46.72 59.77 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.354 0.662 . . . . 0.0 112.068 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.91 -26.82 33.77 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -174.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.83 -24.64 67.87 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.289 0.949 . . . . 0.0 112.381 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -88.15 -11.69 46.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.512 1.525 . . . . 0.0 113.864 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.1 mmm -101.71 160.98 24.93 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.604 1.562 . . . . 0.0 113.593 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -65.71 164.97 24.69 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.597 2.864 . . . . 0.0 112.794 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.55 139.89 58.81 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.576 1.15 . . . . 0.0 112.671 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' HA3' ' HE2' ' A' ' 92' ' ' LYS . . . 78.23 14.25 82.43 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.923 1.725 . . . . 0.0 114.979 -173.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.4 m -75.18 130.53 39.33 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.62 1.21 . . . . 0.0 109.405 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -134.81 159.31 41.78 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -175.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.93 157.96 43.88 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.531 1.533 . . . . 0.0 111.077 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.14 138.24 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.182 1.393 . . . . 0.0 109.751 172.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -147.19 164.89 31.71 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.145 1.378 . . . . 0.0 111.968 -170.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.44 139.08 58.27 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.13 1.372 . . . . 0.0 111.916 173.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -176.338 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 121.45 0.643 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -124.4 169.67 11.6 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.05 1.34 . . . . 0.0 111.744 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.2 t -134.48 128.4 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.534 1.534 . . . . 0.0 109.445 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -91.47 129.49 37.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 125.935 1.694 . . . . 0.0 107.497 169.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -120.07 138.85 53.3 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.761 172.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.9 p -143.2 146.41 33.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.5 p -80.6 102.97 10.13 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 124.906 1.282 . . . . 0.0 109.544 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -141.01 149.01 41.19 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.5 t30 51.9 38.88 24.69 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.253 1.821 . . . . 0.0 113.377 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.26 9.67 72.89 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.575 1.083 . . . . 0.0 115.602 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -133.53 -173.1 3.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.907 2.083 . . . . 0.0 111.203 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.06 138.96 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.587 1.155 . . . . 0.0 109.367 169.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.5 p -129.21 156.46 43.92 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.359 1.464 . . . . 0.0 111.158 -173.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -134.8 144.88 47.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.914 1.286 . . . . 0.0 111.975 -175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -142.57 133.62 25.85 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.895 1.678 . . . . 0.0 110.778 -175.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -75.19 129.89 38.25 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.246 -0.909 . . . . 0.0 112.145 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 mt -108.89 78.09 1.12 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.549 1.94 . . . . 0.0 106.798 168.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.4 m -77.17 142.34 39.7 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.814 1.245 . . . . 0.0 111.877 -173.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.58 128.73 34.59 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.237 0.615 . . . . 0.0 111.359 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -140.87 110.09 6.22 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.465 1.506 . . . . 0.0 109.796 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 51.89 31.36 8.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.047 1.339 . . . . 0.0 114.264 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.21 1.21 90.47 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.669 1.604 . . . . 0.0 115.292 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -107.82 173.79 6.17 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.871 2.068 . . . . 0.0 111.19 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.8 mm -105.83 120.49 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.099 1.36 . . . . 0.0 111.323 -170.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -106.91 128.02 53.95 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.919 1.688 . . . . 0.0 110.003 172.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.4 tt -139.33 126.53 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.865 1.266 . . . . 0.0 110.405 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.7 t70 54.6 -91.28 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.884 1.674 . . . . 0.0 111.913 -167.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.5 p -123.0 -12.71 7.94 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.467 1.507 . . . . 0.0 113.399 169.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -81.56 136.44 35.58 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.665 1.586 . . . . 0.0 111.204 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.1 tp -106.77 133.91 50.71 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.754 1.222 . . . . 0.0 110.832 171.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -131.89 154.04 49.62 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.61 1.964 . . . . 0.0 111.022 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.57 -36.09 82.76 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -155.9 171.91 19.27 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.392 1.477 . . . . 0.0 111.795 -173.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 mt -62.21 -42.97 99.79 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.89 0.876 . . . . 0.0 113.0 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -63.42 -36.51 83.97 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.608 -0.683 . . . . 0.0 112.252 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.59 93.89 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.785 0.834 . . . . 0.0 112.635 172.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.61 82.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.284 0.634 . . . . 0.0 112.082 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.37 -49.32 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.014 0.926 . . . . 0.0 110.498 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.5 m -60.98 -41.88 97.29 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.691 1.196 . . . . 0.0 112.189 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -58.84 -44.08 90.86 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.301 -0.875 . . . . 0.0 111.44 174.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -78.12 5.02 10.98 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 175.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.5 mtt -96.31 -38.54 10.04 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.538 1.135 . . . . 0.0 109.977 166.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.83 -28.8 60.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.476 1.11 . . . . 0.0 113.041 175.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -130.09 160.07 34.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.456 1.903 . . . . 0.0 111.424 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.14 144.19 44.97 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.014 -1.054 . . . . 0.0 111.709 175.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tt -83.24 -62.64 1.54 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.519 1.128 . . . . 0.0 110.481 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -143.37 -65.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.128 1.371 . . . . 0.0 110.644 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -91.57 -33.81 14.99 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.393 1.077 . . . . 0.0 112.745 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.2 t -159.16 -174.24 4.62 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.524 1.929 . . . . 0.0 110.045 174.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -85.64 164.84 17.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.637 1.575 . . . . 0.0 112.497 169.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 71.1 mt -69.02 131.56 45.24 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.109 1.364 . . . . 0.0 109.41 169.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.43 ' HE2' ' HA3' ' A' ' 28' ' ' GLY . 36.0 mtmm -121.66 -34.06 3.48 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -171.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -153.38 144.11 15.89 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-N 119.484 1.038 . . . . 0.0 113.015 170.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.46 148.57 43.07 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.306 2.004 . . . . 0.0 111.376 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.2 tp . . . . . 0 CA--C 1.546 0.794 0 C-N-CA 123.33 0.652 . . . . 0.0 110.7 169.61 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.85 -21.22 57.94 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.92 2.413 . . . . 0.0 113.353 -175.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -96.03 -5.18 41.64 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.364 1.866 . . . . 0.0 114.609 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -90.79 131.35 36.51 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.324 1.42 . . . . 0.0 112.487 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -118.54 -1.41 11.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.639 1.576 . . . . 0.0 114.32 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.01 -146.18 47.67 Favored Glycine 0 CA--C 1.54 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 113.234 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -68.69 52.21 0.67 Allowed 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 125.29 3.993 . . . . 0.0 116.072 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 tp -70.98 149.6 46.49 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.962 -1.086 . . . . 0.0 110.173 172.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.7 m -89.89 156.14 18.66 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.691 0.796 . . . . 0.0 111.439 171.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -52.65 -48.51 66.38 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.714 -0.616 . . . . 0.0 112.411 174.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.6 m -56.34 -37.75 70.42 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.591 0.757 . . . . 0.0 112.528 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.5 -38.33 65.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.087 0.955 . . . . 0.0 112.622 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.21 96.76 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.385 0.674 . . . . 0.0 111.817 172.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.92 -46.99 76.23 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.54 1.136 . . . . 0.0 111.986 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -69.67 -12.71 61.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -85.52 -54.72 4.39 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.138 0.881 . . . . 0.0 111.369 169.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.94 -26.14 61.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -174.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.26 -24.82 67.42 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.459 1.027 . . . . 0.0 112.598 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -90.77 -13.45 33.93 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.222 1.409 . . . . 0.0 113.747 173.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 94.5 mmm -92.39 159.73 36.38 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.241 1.416 . . . . 0.0 112.535 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.47 161.55 45.62 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 122.988 2.459 . . . . 0.0 111.887 173.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -56.63 138.27 52.67 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.565 1.146 . . . . 0.0 112.555 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.84 3.89 79.67 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.67 1.129 . . . . 0.0 114.981 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.5 m -74.8 129.52 37.83 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.42 1.11 . . . . 0.0 108.83 168.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -136.55 161.17 36.63 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.64 155.69 42.64 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.996 1.318 . . . . 0.0 111.109 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.01 138.56 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.624 1.17 . . . . 0.0 109.933 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -142.63 157.44 44.68 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.433 1.493 . . . . 0.0 111.423 -172.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.43 135.99 53.99 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.048 0.939 . . . . 0.0 110.632 172.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -169.823 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 . . . . . 0 CA--C 1.543 0.698 0 CA-C-O 121.15 0.5 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -120.68 169.71 10.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.271 1.429 . . . . 0.0 111.556 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.7 t -135.74 129.55 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.84 1.256 . . . . 0.0 109.884 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.53 122.62 33.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.977 1.711 . . . . 0.0 107.844 169.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -115.39 135.16 54.42 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.614 0.766 . . . . 0.0 110.114 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 70.9 m -136.59 143.07 43.39 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.316 1.046 . . . . 0.0 112.079 -172.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.1 p -80.65 114.43 19.54 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 168.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -142.91 140.83 31.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.305 1.042 . . . . 0.0 111.851 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 56.74 31.13 18.85 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.147 1.379 . . . . 0.0 113.994 170.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.01 10.63 81.12 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 124.385 0.993 . . . . 0.0 114.879 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -133.71 -169.49 2.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 127.907 2.483 . . . . 0.0 110.441 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.16 134.48 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.257 1.023 . . . . 0.0 110.325 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -116.57 157.03 25.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.65 1.98 . . . . 0.0 111.218 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -138.96 137.27 36.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.996 1.318 . . . . 0.0 111.231 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -139.09 130.67 27.27 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.254 1.422 . . . . 0.0 111.38 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -77.05 126.31 30.76 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.408 -0.807 . . . . 0.0 111.811 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.3 mt -100.27 90.66 4.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.245 1.818 . . . . 0.0 107.216 169.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 m -87.93 144.99 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 125.362 1.465 . . . . 0.0 112.048 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.26 120.53 33.65 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.423 -0.798 . . . . 0.0 111.479 173.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -137.16 135.39 37.3 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.965 1.306 . . . . 0.0 110.53 170.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 50.59 30.05 4.54 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.549 1.54 . . . . 0.0 114.832 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.03 9.54 86.71 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.314 1.435 . . . . 0.0 115.202 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -122.06 163.88 18.66 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.668 1.987 . . . . 0.0 111.944 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.9 mm -91.69 118.1 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.012 1.325 . . . . 0.0 110.854 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -101.69 147.47 26.41 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.952 1.701 . . . . 0.0 110.748 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -148.86 117.43 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.148 0.979 . . . . 0.0 109.191 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.43 -101.29 0.11 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.784 1.633 . . . . 0.0 112.801 -168.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.4 p -111.48 -0.19 16.3 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.792 1.637 . . . . 0.0 113.635 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -91.73 149.9 21.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.633 1.573 . . . . 0.0 110.809 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.4 tp -134.09 135.41 43.22 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.368 1.467 . . . . 0.0 110.901 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -139.03 155.87 47.63 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.828 2.051 . . . . 0.0 111.25 -175.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.27 -36.01 81.88 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -156.29 172.22 18.85 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.441 1.496 . . . . 0.0 111.779 -173.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.95 -42.1 98.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.64 0.776 . . . . 0.0 112.895 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.88 -35.58 81.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.613 -0.68 . . . . 0.0 112.234 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.21 90.03 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.664 0.785 . . . . 0.0 112.661 172.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.71 88.01 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.232 0.613 . . . . 0.0 112.385 175.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.7 mm -60.63 -50.26 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.06 0.944 . . . . 0.0 110.447 171.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.9 m -58.82 -38.65 79.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.816 1.246 . . . . 0.0 112.367 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -58.82 -45.07 90.81 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.197 -0.94 . . . . 0.0 111.986 173.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -79.14 -3.72 46.92 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.2 mmt -80.15 -37.62 33.06 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.865 -1.147 . . . . 0.0 109.698 166.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -83.37 -29.65 28.04 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.853 1.261 . . . . 0.0 113.416 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -126.81 152.14 47.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.616 1.566 . . . . 0.0 111.94 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.88 139.56 55.16 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.05 -1.031 . . . . 0.0 111.64 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.37 -63.08 1.5 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.417 1.087 . . . . 0.0 110.695 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -144.06 -50.82 0.3 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.575 1.15 . . . . 0.0 111.515 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -110.28 -32.1 7.08 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.282 1.433 . . . . 0.0 111.674 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 t -153.03 169.7 22.27 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.942 1.297 . . . . 0.0 112.5 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 56.0 p -82.89 160.62 22.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.88 1.272 . . . . 0.0 111.662 169.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.85 142.52 58.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.177 0.991 . . . . 0.0 110.901 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -122.33 -45.06 2.23 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.466 1.107 . . . . 0.0 112.814 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -155.51 146.97 16.83 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.4 145.26 37.85 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.887 2.392 . . . . 0.0 111.597 171.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.0 tp . . . . . 0 CA--C 1.542 0.668 0 O-C-N 121.429 -0.795 . . . . 0.0 109.727 168.17 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.902 0 CA-C-O 118.989 -0.529 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -63.29 -27.84 72.1 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.365 2.71 . . . . 0.0 114.428 -168.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -80.52 -8.32 59.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.425 1.49 . . . . 0.0 114.386 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -85.14 132.47 34.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.151 1.342 . . . . 0.0 112.314 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -122.05 0.84 9.73 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.622 1.569 . . . . 0.0 113.851 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.66 -136.17 41.59 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-O 118.591 -1.116 . . . . 0.0 113.242 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.57 57.57 6.03 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 124.312 3.341 . . . . 0.0 113.061 -176.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.64 148.15 38.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.276 1.031 . . . . 0.0 109.873 171.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.8 m -90.54 156.51 18.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.748 0.819 . . . . 0.0 111.335 171.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -52.54 -50.12 63.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.205 0.602 . . . . 0.0 112.587 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 m -57.67 -36.21 71.6 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -71.16 -42.62 68.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.049 0.94 . . . . 0.0 112.326 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.97 98.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.551 0.74 . . . . 0.0 111.889 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -67.99 -43.83 78.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.846 1.258 . . . . 0.0 112.234 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -65.57 -35.11 79.87 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.327 0.967 . . . . 0.0 112.116 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -67.35 -51.44 52.25 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.07 0.548 . . . . 0.0 111.792 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.57 -22.76 56.7 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.89 -28.41 62.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.383 0.992 . . . . 0.0 112.368 171.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -78.84 -33.03 46.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.285 1.034 . . . . 0.0 112.526 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.8 mmm -76.82 161.29 74.38 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.215 1.406 . . . . 0.0 113.152 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.02 163.72 37.9 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.296 2.664 . . . . 0.0 112.594 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -54.89 132.32 46.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.303 1.441 . . . . 0.0 112.122 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.76 2.11 63.17 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.134 1.35 . . . . 0.0 115.007 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -74.89 133.59 41.79 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.717 0.807 . . . . 0.0 109.55 169.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -136.47 161.32 36.18 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.48 157.75 43.8 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.873 1.269 . . . . 0.0 111.497 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.38 137.98 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.857 1.263 . . . . 0.0 110.069 169.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -142.83 160.51 40.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.56 1.544 . . . . 0.0 111.534 -173.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.87 137.17 58.19 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.32 1.048 . . . . 0.0 111.087 170.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.471 0.583 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 . . . . . 0 CA--C 1.541 0.623 0 CA-C-O 121.298 0.57 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -124.36 170.04 11.22 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.87 1.268 . . . . 0.0 111.668 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.6 t -136.15 129.84 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.044 1.338 . . . . 0.0 109.617 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 tp -91.76 123.32 35.07 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.805 1.642 . . . . 0.0 107.86 169.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -115.05 137.46 51.99 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.442 0.697 . . . . 0.0 110.086 175.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.8 m -139.12 138.95 37.48 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.426 1.09 . . . . 0.0 112.207 -173.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 p -80.46 100.5 8.55 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 122.059 0.933 . . . . 0.0 110.214 173.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -139.31 153.49 47.75 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 56.59 29.94 16.47 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.295 1.438 . . . . 0.0 113.931 172.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 12.72 79.78 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.359 0.98 . . . . 0.0 114.816 -177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -136.8 -166.77 1.96 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 127.683 2.393 . . . . 0.0 110.289 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.91 138.47 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.299 1.039 . . . . 0.0 109.325 169.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.6 p -122.26 154.62 37.3 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.913 1.685 . . . . 0.0 110.854 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -137.45 139.49 40.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.85 1.26 . . . . 0.0 111.511 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -139.66 127.86 22.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.432 1.493 . . . . 0.0 110.844 -174.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -67.39 132.47 47.74 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.437 -0.789 . . . . 0.0 112.34 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.76 76.88 1.0 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.722 2.009 . . . . 0.0 106.315 167.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.8 m -77.56 141.95 39.27 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.577 1.151 . . . . 0.0 111.7 -173.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.15 129.54 34.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.143 0.577 . . . . 0.0 111.357 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -140.76 108.69 5.7 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.807 1.643 . . . . 0.0 109.658 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 53.23 30.52 10.09 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.905 1.282 . . . . 0.0 113.889 -175.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.58 0.15 89.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.879 1.704 . . . . 0.0 115.32 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -104.16 173.32 6.35 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.851 2.06 . . . . 0.0 111.206 174.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.1 mm -105.79 120.33 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.078 1.351 . . . . 0.0 111.424 -170.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -106.67 126.52 52.38 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.987 1.715 . . . . 0.0 110.054 172.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 tt -139.65 128.38 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.934 1.294 . . . . 0.0 111.021 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 56.14 -84.25 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.253 1.821 . . . . 0.0 112.247 -168.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -134.25 -11.78 2.49 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.776 2.031 . . . . 0.0 112.907 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -81.98 138.28 34.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.99 1.716 . . . . 0.0 111.215 -176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.5 tp -107.89 133.49 52.16 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.906 1.282 . . . . 0.0 110.747 171.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -131.99 154.04 49.74 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.458 1.903 . . . . 0.0 111.192 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.37 -35.73 81.84 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -155.89 171.69 19.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.3 1.44 . . . . 0.0 111.802 -173.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.2 -42.95 99.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.05 0.94 . . . . 0.0 112.93 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.53 -35.99 82.29 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.536 -0.728 . . . . 0.0 112.344 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.19 93.12 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.696 0.798 . . . . 0.0 112.643 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.18 82.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.24 0.616 . . . . 0.0 112.287 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.8 mm -58.75 -49.63 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.156 0.982 . . . . 0.0 110.43 173.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.2 m -60.18 -42.23 94.57 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.518 1.127 . . . . 0.0 112.175 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.22 -43.86 92.32 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.256 -0.903 . . . . 0.0 111.608 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -78.17 3.44 15.18 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.7 mtt -94.95 -37.32 11.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.412 1.085 . . . . 0.0 110.139 166.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -76.41 -28.88 56.84 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.64 1.176 . . . . 0.0 113.024 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -131.07 159.28 38.03 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.344 1.858 . . . . 0.0 111.591 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.55 143.43 46.48 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.039 -1.038 . . . . 0.0 111.757 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 tt -83.67 -62.22 1.63 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.752 1.221 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.56 -70.54 0.36 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.223 1.409 . . . . 0.0 110.284 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -89.87 -32.13 17.02 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.224 1.01 . . . . 0.0 113.003 178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 t -157.5 -177.7 6.79 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.417 1.487 . . . . 0.0 111.553 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 p -90.56 160.68 15.82 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.833 1.653 . . . . 0.0 112.307 169.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.2 mt -65.92 136.66 56.41 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.006 1.322 . . . . 0.0 111.012 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -112.01 -49.72 2.96 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -152.34 146.04 18.04 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -173.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -72.88 142.45 35.15 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.73 2.287 . . . . 0.0 111.335 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 CA--C 1.543 0.709 0 O-C-N 121.57 -0.706 . . . . 0.0 110.172 169.36 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 CA-C-O 118.887 -0.578 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.42 -26.68 34.49 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.053 2.502 . . . . 0.0 114.044 -171.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -80.5 -3.96 52.03 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.505 1.522 . . . . 0.0 114.541 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -84.23 135.81 34.2 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.906 1.23 . . . . 0.0 112.435 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -124.21 7.33 8.48 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.512 1.525 . . . . 0.0 114.424 -178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.97 -149.21 50.08 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 113.115 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -77.4 57.7 6.01 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.353 3.368 . . . . 0.0 112.816 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.94 138.08 45.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.684 1.193 . . . . 0.0 110.794 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.1 m -80.95 158.03 25.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.75 0.82 . . . . 0.0 112.048 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -51.09 -53.17 36.52 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.684 0.794 . . . . 0.0 112.41 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -59.01 -35.9 74.02 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -70.71 -43.01 69.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.123 0.969 . . . . 0.0 112.322 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.02 97.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.45 0.7 . . . . 0.0 111.724 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -67.91 -42.91 80.38 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.655 1.182 . . . . 0.0 112.399 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -66.0 -35.42 80.54 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.534 1.061 . . . . 0.0 112.104 175.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.9 m -66.23 -49.55 66.85 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.922 0.489 . . . . 0.0 111.693 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.51 -23.13 50.29 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -71.48 -29.22 64.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.327 0.967 . . . . 0.0 112.206 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.86 -32.96 52.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.213 1.005 . . . . 0.0 112.447 173.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 88.6 mmm -77.88 161.68 70.4 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.215 1.406 . . . . 0.0 113.371 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.48 168.04 25.41 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.293 2.662 . . . . 0.0 112.734 172.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.37 139.64 57.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.18 1.392 . . . . 0.0 112.781 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.08 87.54 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.282 1.896 . . . . 0.0 115.63 -176.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -73.78 132.6 42.78 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.301 1.051 . . . . 0.0 109.708 169.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -136.31 161.46 35.71 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.18 157.43 43.6 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 125.292 1.437 . . . . 0.0 110.922 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -119.69 136.45 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.424 1.089 . . . . 0.0 109.944 170.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -136.48 152.55 50.68 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.171 1.388 . . . . 0.0 111.803 -176.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.75 133.66 52.52 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 168.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--O 1.234 0.268 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -167.874 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -120.97 166.08 14.34 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.269 -0.894 . . . . 0.0 112.436 -176.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.44 130.07 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.065 1.346 . . . . 0.0 109.558 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.7 tp -91.67 120.14 32.17 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 125.817 1.647 . . . . 0.0 108.084 170.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -112.21 133.88 54.08 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.797 0.839 . . . . 0.0 109.721 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.3 m -136.02 139.54 43.19 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.646 1.178 . . . . 0.0 112.168 -172.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 p -81.87 101.19 10.05 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 169.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -142.92 152.67 42.3 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.2 t30 49.18 40.41 17.7 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.476 1.91 . . . . 0.0 113.273 -174.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.98 9.09 55.97 Favored Glycine 0 CA--C 1.542 1.738 0 N-CA-C 115.863 1.105 . . . . 0.0 115.863 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -129.66 -169.51 2.13 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.19 2.196 . . . . 0.0 110.756 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.3 t -117.8 134.97 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.106 0.962 . . . . 0.0 110.05 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -124.6 158.43 33.05 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.771 1.628 . . . . 0.0 111.375 -176.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -135.4 139.08 43.9 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.976 1.31 . . . . 0.0 111.279 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -137.41 128.14 27.05 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.583 1.553 . . . . 0.0 110.706 -175.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -73.67 131.96 42.21 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.4 -0.813 . . . . 0.0 112.011 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.8 mt -107.65 79.81 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.051 2.141 . . . . 0.0 106.799 169.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.8 m -77.85 140.22 39.34 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.857 1.263 . . . . 0.0 111.68 -173.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.55 129.1 34.16 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.263 0.625 . . . . 0.0 111.285 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -139.54 106.84 5.51 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.591 1.557 . . . . 0.0 109.697 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 51.82 31.8 8.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.015 1.326 . . . . 0.0 114.249 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.08 -1.34 88.9 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.681 1.61 . . . . 0.0 115.228 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -102.68 174.45 5.88 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.549 1.94 . . . . 0.0 111.029 173.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.9 mm -108.96 119.92 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.017 1.327 . . . . 0.0 111.39 -170.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -106.06 127.38 53.14 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.947 1.699 . . . . 0.0 110.089 172.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.2 tt -139.43 127.92 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.787 1.235 . . . . 0.0 110.628 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.5 t70 55.79 -83.89 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.339 1.856 . . . . 0.0 112.371 -168.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -134.21 -12.35 2.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.747 2.019 . . . . 0.0 112.888 171.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -80.89 136.62 36.09 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.927 1.691 . . . . 0.0 110.894 -176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 tp -105.82 133.17 50.98 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.513 1.125 . . . . 0.0 110.751 170.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.13 154.05 47.9 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.641 1.976 . . . . 0.0 110.852 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.39 -35.82 82.11 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -156.32 172.21 18.88 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.511 1.525 . . . . 0.0 111.722 -174.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.87 -42.39 99.0 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.809 0.843 . . . . 0.0 113.027 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.52 -35.53 81.25 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.602 -0.686 . . . . 0.0 112.357 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.99 92.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.675 0.79 . . . . 0.0 112.59 172.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.82 79.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.32 0.648 . . . . 0.0 112.087 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.4 mm -58.44 -49.41 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.953 0.901 . . . . 0.0 110.459 173.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -59.81 -41.02 90.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.728 1.211 . . . . 0.0 112.22 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.11 -44.76 94.61 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.197 -0.94 . . . . 0.0 111.626 174.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -78.52 -2.6 39.49 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.4 mmt -83.29 -39.56 20.67 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.071 -1.018 . . . . 0.0 109.782 166.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -81.71 -29.01 33.16 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.735 1.214 . . . . 0.0 113.502 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -128.46 156.88 42.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.937 1.695 . . . . 0.0 111.628 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.52 140.25 49.84 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.0 -1.062 . . . . 0.0 111.638 176.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tt -81.52 -60.67 2.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.779 1.232 . . . . 0.0 110.436 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -145.41 -64.44 0.33 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.091 1.356 . . . . 0.0 110.455 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.75 -33.88 14.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.324 1.05 . . . . 0.0 113.054 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -157.8 -175.14 5.2 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.773 1.629 . . . . 0.0 110.762 173.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.1 p -87.97 161.84 17.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.818 1.647 . . . . 0.0 112.276 169.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.99 144.62 56.94 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.073 1.349 . . . . 0.0 110.878 171.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -125.66 -42.37 1.94 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -157.57 147.71 15.68 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.8 147.1 49.58 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.847 2.365 . . . . 0.0 111.663 171.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 CA--C 1.546 0.814 0 C-N-CA 123.631 0.772 . . . . 0.0 110.564 169.016 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.994 0 CA-C-O 119.331 -0.366 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.33 -20.39 55.27 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.161 2.574 . . . . 0.0 113.698 -171.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -86.08 -9.24 57.06 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -89.62 130.89 35.85 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.698 1.59 . . . . 0.0 112.482 -177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -122.62 8.97 9.52 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.525 1.53 . . . . 0.0 114.27 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.85 -145.71 45.52 Favored Glycine 0 CA--C 1.537 1.435 0 O-C-N 120.817 -1.177 . . . . 0.0 113.494 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.7 53.4 4.35 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.502 3.468 . . . . 0.0 113.084 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 tp -71.72 142.4 49.79 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.808 1.243 . . . . 0.0 110.422 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.6 m -91.76 161.64 14.79 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.211 1.005 . . . . 0.0 112.197 175.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -49.62 -54.06 20.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.818 0.847 . . . . 0.0 112.591 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -57.95 -36.84 73.11 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -72.18 -40.31 68.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.179 0.992 . . . . 0.0 112.538 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.76 94.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.628 0.771 . . . . 0.0 111.868 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.6 -45.95 77.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.684 1.193 . . . . 0.0 111.995 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -70.66 -12.82 61.8 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.3 m -84.69 -53.78 5.14 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.239 0.927 . . . . 0.0 111.369 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.91 -26.34 60.48 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.38 -25.2 67.47 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.673 1.124 . . . . 0.0 112.521 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -90.4 -12.48 37.41 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.19 1.396 . . . . 0.0 113.729 173.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 95.2 mmm -93.1 160.03 34.36 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.332 1.453 . . . . 0.0 112.274 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.19 162.18 43.39 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.874 2.383 . . . . 0.0 111.895 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.59 138.82 51.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.548 1.139 . . . . 0.0 112.614 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.11 2.52 80.5 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.457 1.027 . . . . 0.0 114.775 -176.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 m -74.85 130.82 40.11 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.605 1.203 . . . . 0.0 109.192 168.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -137.18 161.93 34.83 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.47 157.88 43.76 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.04 1.336 . . . . 0.0 110.924 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -121.88 137.54 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.12 1.368 . . . . 0.0 109.594 171.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -137.27 154.95 50.01 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.178 1.391 . . . . 0.0 111.676 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.2 135.04 54.95 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.076 0.55 . . . . 0.0 109.846 169.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -169.226 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 121.71 0.767 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -110.76 170.0 8.39 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.803 1.241 . . . . 0.0 110.072 169.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.0 t -136.61 128.82 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.417 1.087 . . . . 0.0 110.017 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.4 tp -90.28 122.89 33.59 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.166 1.786 . . . . 0.0 108.228 170.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 m -116.4 133.32 56.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.01 0.924 . . . . 0.0 109.934 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.1 m -135.93 143.58 45.0 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.49 1.116 . . . . 0.0 112.664 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 p -80.96 113.87 19.46 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 169.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -142.83 136.58 28.9 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.212 1.005 . . . . 0.0 112.466 -175.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.2 t30 52.53 38.4 25.58 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.958 1.703 . . . . 0.0 113.992 170.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.44 7.9 74.33 Favored Glycine 0 CA--C 1.539 1.55 0 N-CA-C 115.444 0.938 . . . . 0.0 115.444 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -129.43 -172.09 2.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.253 2.221 . . . . 0.0 110.971 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.2 t -120.6 133.76 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.444 1.098 . . . . 0.0 109.903 173.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.1 p -115.02 156.91 24.24 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.516 1.926 . . . . 0.0 111.23 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -139.17 137.32 35.95 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.879 1.271 . . . . 0.0 111.344 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -140.82 128.76 21.9 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.674 1.59 . . . . 0.0 110.659 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -73.62 133.64 43.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.814 1.188 . . . . 0.0 112.238 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.8 mt -99.42 78.97 2.24 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.454 2.301 . . . . 0.0 105.035 167.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.1 m -76.49 138.71 40.44 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.44 1.496 . . . . 0.0 111.984 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.12 125.19 29.5 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.102 0.561 . . . . 0.0 111.059 174.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -138.93 104.32 5.03 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.208 1.403 . . . . 0.0 109.75 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 50.46 33.4 7.72 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.318 1.447 . . . . 0.0 114.747 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.12 -4.2 86.41 Favored Glycine 0 CA--C 1.541 1.67 0 C-N-CA 125.962 1.744 . . . . 0.0 115.374 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -97.13 168.09 10.66 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.48 1.912 . . . . 0.0 111.638 172.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 mm -104.59 118.02 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.788 1.635 . . . . 0.0 110.243 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -103.43 129.48 50.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.736 1.614 . . . . 0.0 109.965 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.6 tt -139.37 125.79 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.262 1.025 . . . . 0.0 111.429 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 56.32 -70.77 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.901 2.48 . . . . 0.0 113.878 -169.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -143.02 -10.22 0.77 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.372 1.869 . . . . 0.0 113.643 169.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -89.9 137.53 32.26 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.985 1.714 . . . . 0.0 110.718 -171.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.4 tp -111.28 134.62 52.73 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.947 1.299 . . . . 0.0 111.719 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -135.2 155.45 50.65 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.06 1.744 . . . . 0.0 112.177 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.34 -35.82 82.1 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -156.52 172.26 18.86 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.149 1.379 . . . . 0.0 112.322 -172.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.9 -44.04 97.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.255 1.022 . . . . 0.0 113.171 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.57 -35.14 79.51 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.572 -0.705 . . . . 0.0 112.346 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.78 90.3 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.962 0.905 . . . . 0.0 112.587 172.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.82 -40.3 87.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.245 0.618 . . . . 0.0 112.324 176.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.2 mm -61.24 -50.66 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.138 0.975 . . . . 0.0 110.436 171.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.8 m -58.64 -39.97 82.07 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.557 1.143 . . . . 0.0 112.366 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -57.82 -44.01 86.15 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.062 -1.024 . . . . 0.0 112.038 174.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -80.47 2.68 24.21 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 51.3 mtt -92.09 -36.07 13.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.045 -1.034 . . . . 0.0 109.914 166.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -77.53 -29.1 52.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.706 1.203 . . . . 0.0 113.178 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -129.93 157.19 42.98 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.014 1.726 . . . . 0.0 111.851 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -72.97 145.0 47.04 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.948 -1.095 . . . . 0.0 111.707 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -83.0 -63.71 1.31 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.738 1.215 . . . . 0.0 110.987 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.3 -53.05 0.37 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.468 1.107 . . . . 0.0 111.428 177.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -112.49 -30.81 7.01 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.36 1.464 . . . . 0.0 111.895 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -150.87 175.63 11.84 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.816 1.247 . . . . 0.0 112.521 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.0 p -88.48 166.04 14.47 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.458 1.503 . . . . 0.0 112.107 170.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.78 127.49 32.74 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.322 1.049 . . . . 0.0 110.104 171.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -112.3 -42.16 3.76 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.462 1.105 . . . . 0.0 113.243 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -155.45 145.83 15.98 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -70.23 147.54 60.06 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.515 2.143 . . . . 0.0 110.815 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.6 tp . . . . . 0 CA--C 1.545 0.776 0 O-C-N 121.377 -0.827 . . . . 0.0 111.315 172.426 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.92 0 CA-C-O 119.016 -0.516 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -61.37 -30.57 87.58 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.012 2.474 . . . . 0.0 113.967 -168.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -75.36 -11.53 60.07 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -84.07 133.47 34.64 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 120.556 1.525 . . . . 0.0 111.845 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -122.9 7.62 9.32 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.442 1.497 . . . . 0.0 114.195 -177.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.32 -147.0 48.43 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 120.893 -1.13 . . . . 0.0 113.185 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.04 54.91 5.09 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.422 3.415 . . . . 0.0 113.05 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 tp -72.43 141.15 48.65 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.682 1.193 . . . . 0.0 110.672 174.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -87.72 160.73 17.97 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.233 1.013 . . . . 0.0 112.198 175.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -51.06 -54.15 27.42 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.818 0.847 . . . . 0.0 112.711 176.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 m -57.52 -37.03 72.36 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.183 0.593 . . . . 0.0 112.556 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -69.93 -43.96 70.58 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.072 0.949 . . . . 0.0 112.259 174.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.42 99.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.495 0.718 . . . . 0.0 112.216 175.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.49 -45.42 79.68 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.591 1.157 . . . . 0.0 111.903 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -66.38 -34.25 77.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.033 0.833 . . . . 0.0 112.322 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 m -67.03 -44.36 80.42 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.032 0.533 . . . . 0.0 112.38 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.02 -26.71 28.91 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -65.02 -25.48 67.87 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.819 1.19 . . . . 0.0 112.202 173.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -77.3 -22.05 52.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.102 1.361 . . . . 0.0 113.369 171.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -98.74 160.62 27.43 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 125.831 1.652 . . . . 0.0 113.287 -172.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.0 162.93 41.01 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 123.221 2.614 . . . . 0.0 112.383 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.53 137.18 56.58 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.148 1.379 . . . . 0.0 113.056 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.18 5.3 85.74 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.636 1.112 . . . . 0.0 114.648 -176.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.4 m -73.92 129.04 37.09 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.976 1.388 . . . . 0.0 108.616 167.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.38 160.36 38.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -173.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.25 157.72 43.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.036 1.334 . . . . 0.0 110.741 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.26 135.57 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 124.855 1.262 . . . . 0.0 109.432 171.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -133.68 153.01 52.01 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.969 1.307 . . . . 0.0 111.527 -176.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.79 133.44 54.75 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.406 0.682 . . . . 0.0 109.651 169.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 122.161 0.981 . . . . 0.0 113.483 -168.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 N--CA 1.471 0.599 0 CA-C-O 121.428 0.632 . . . . 0.0 112.185 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -118.33 170.55 8.81 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.07 1.348 . . . . 0.0 111.334 173.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.99 129.16 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.878 1.271 . . . . 0.0 109.713 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 tp -89.39 124.49 34.5 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.539 1.536 . . . . 0.0 108.283 170.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 m -114.58 136.21 53.28 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.859 0.864 . . . . 0.0 109.861 172.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.0 t -141.08 143.43 34.34 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.037 0.935 . . . . 0.0 112.083 -174.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 p -79.15 113.19 17.07 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.112 -0.992 . . . . 0.0 109.402 171.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -139.41 123.47 17.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.258 1.023 . . . . 0.0 113.527 -173.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.2 t30 50.36 50.59 18.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.898 2.079 . . . . 0.0 113.274 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.31 86.16 Favored Glycine 0 CA--C 1.538 1.493 0 N-CA-C 115.996 1.158 . . . . 0.0 115.996 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -139.34 -173.85 3.71 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.204 1.801 . . . . 0.0 111.22 175.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -114.89 134.06 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.097 0.959 . . . . 0.0 111.008 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.7 p -110.74 158.86 18.18 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.592 1.957 . . . . 0.0 111.391 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -139.01 137.28 36.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.029 1.332 . . . . 0.0 111.187 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -138.9 131.03 28.15 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.288 1.435 . . . . 0.0 111.836 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -67.43 132.63 48.02 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.583 -0.698 . . . . 0.0 112.118 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.0 mt -111.0 80.47 1.31 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.853 2.061 . . . . 0.0 105.996 168.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -82.08 139.93 34.15 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.771 1.228 . . . . 0.0 112.023 -170.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.77 127.78 35.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.465 0.706 . . . . 0.0 112.416 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -134.91 114.09 12.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.459 1.503 . . . . 0.0 109.914 170.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 52.01 30.12 7.02 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.829 1.252 . . . . 0.0 114.135 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.56 -3.84 83.8 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.877 1.703 . . . . 0.0 115.296 -176.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -93.12 163.15 13.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.908 1.683 . . . . 0.0 111.44 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.3 mm -108.45 114.94 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.513 1.525 . . . . 0.0 111.934 -168.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -98.78 127.26 44.65 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.18 1.792 . . . . 0.0 109.972 173.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 tt -141.16 130.52 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.249 1.02 . . . . 0.0 111.036 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 t70 51.99 -92.25 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.08 1.752 . . . . 0.0 113.151 -169.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.9 p -130.4 8.31 5.02 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.894 2.077 . . . . 0.0 112.754 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -107.1 148.66 28.51 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.716 2.006 . . . . 0.0 111.097 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.5 tp -123.12 131.41 53.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.425 1.49 . . . . 0.0 110.234 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -129.2 155.6 45.28 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 126.356 1.862 . . . . 0.0 111.38 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.61 -35.06 79.71 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -157.24 171.72 19.92 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.303 1.441 . . . . 0.0 111.956 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.65 -43.18 99.35 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.028 0.931 . . . . 0.0 113.072 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.52 -36.01 82.37 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.598 -0.689 . . . . 0.0 112.246 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.91 92.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.884 0.874 . . . . 0.0 112.625 172.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.43 88.34 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.209 0.604 . . . . 0.0 112.205 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.6 mm -59.6 -50.36 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.042 0.937 . . . . 0.0 110.501 172.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.6 m -59.16 -40.64 86.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.575 1.15 . . . . 0.0 112.266 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.48 -44.23 89.26 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.164 -0.96 . . . . 0.0 111.847 174.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -78.81 1.19 24.13 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.2 mtt -91.2 -37.34 13.39 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.055 -1.028 . . . . 0.0 110.034 166.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -77.02 -28.99 55.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.603 1.161 . . . . 0.0 113.164 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -129.97 157.08 43.29 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.086 1.754 . . . . 0.0 111.703 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.47 144.48 49.67 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.037 -1.04 . . . . 0.0 111.745 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 tt -82.06 -64.41 1.19 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.905 1.282 . . . . 0.0 110.762 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -144.63 -51.39 0.29 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.442 1.097 . . . . 0.0 111.646 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -110.11 -32.37 7.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.69 1.596 . . . . 0.0 111.776 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -152.29 175.17 12.93 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.822 1.249 . . . . 0.0 112.403 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 61.5 p -88.42 162.93 16.23 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.187 1.395 . . . . 0.0 112.177 169.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.26 128.73 37.64 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.307 1.043 . . . . 0.0 110.042 172.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -106.62 -45.61 4.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.749 1.22 . . . . 0.0 113.075 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -154.54 142.59 14.2 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -64.02 144.01 86.45 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.826 2.351 . . . . 0.0 112.3 168.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 167.179 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 119.189 -0.434 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.54 -22.66 58.33 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 122.817 2.344 . . . . 0.0 113.377 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 -85.28 -8.62 58.42 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 174.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -87.72 127.94 35.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.823 1.647 . . . . 0.0 112.255 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -119.29 0.21 11.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.084 1.754 . . . . 0.0 113.742 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.22 -140.54 41.68 Favored Glycine 0 CA--C 1.54 1.624 0 CA-C-O 118.744 -1.031 . . . . 0.0 113.707 174.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -67.43 46.25 0.28 Allowed 'Trans proline' 0 CA--C 1.549 1.273 1 C-N-CA 125.395 4.063 . . . . 0.0 116.667 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 tp -71.7 149.6 45.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.787 -1.195 . . . . 0.0 110.34 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.7 m -91.87 156.35 17.55 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.884 0.874 . . . . 0.0 111.454 171.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -53.05 -48.63 67.51 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.739 -0.601 . . . . 0.0 112.548 175.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -57.19 -37.72 72.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.268 0.627 . . . . 0.0 112.597 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -71.48 -41.44 69.34 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.093 0.957 . . . . 0.0 112.252 174.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.52 98.73 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.539 0.736 . . . . 0.0 111.91 173.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.11 -45.85 75.95 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.73 1.212 . . . . 0.0 112.296 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -64.97 -31.35 72.54 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.089 0.858 . . . . 0.0 112.389 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -71.03 -52.37 19.94 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.07 0.548 . . . . 0.0 111.787 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.73 -25.72 59.31 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.63 -26.55 63.53 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.196 0.907 . . . . 0.0 112.25 173.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -80.74 -33.04 35.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.737 1.215 . . . . 0.0 112.478 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -75.92 161.6 75.03 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 125.397 1.479 . . . . 0.0 113.741 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.51 164.33 29.14 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.373 2.715 . . . . 0.0 112.479 169.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.37 145.29 52.06 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.673 1.189 . . . . 0.0 112.692 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 8.26 87.83 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.98 0.8 . . . . 0.0 114.483 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.0 m -77.55 130.51 37.02 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.139 0.969 . . . . 0.0 109.282 169.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -137.41 160.69 38.38 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.2 156.08 43.15 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 125.153 1.381 . . . . 0.0 110.743 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.81 135.08 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.327 1.451 . . . . 0.0 109.275 171.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -140.93 163.13 33.78 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.076 1.351 . . . . 0.0 111.484 -173.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -60.98 136.45 58.09 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.911 0.884 . . . . 0.0 111.081 170.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -170.344 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 CA--C 1.541 0.62 0 CA-C-O 121.304 0.573 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -122.84 170.65 9.87 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.833 1.253 . . . . 0.0 111.781 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.7 t -135.37 128.27 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.996 1.319 . . . . 0.0 110.112 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.5 tp -89.3 120.64 30.83 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.913 1.685 . . . . 0.0 107.618 169.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -112.63 135.34 53.47 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.7 0.8 . . . . 0.0 109.697 173.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.3 m -136.69 142.77 43.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.233 1.013 . . . . 0.0 112.278 -172.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.6 p -82.0 112.03 18.72 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.959 0.885 . . . . 0.0 108.653 169.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.24 135.84 34.34 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.805 1.242 . . . . 0.0 112.2 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 53.61 38.12 27.53 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.694 1.597 . . . . 0.0 113.965 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.26 8.45 74.93 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.302 0.953 . . . . 0.0 115.394 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -132.3 -171.52 2.66 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.009 2.124 . . . . 0.0 110.878 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -121.02 135.34 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.235 1.014 . . . . 0.0 110.459 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.5 p -117.86 157.4 26.71 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.539 1.936 . . . . 0.0 111.151 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.81 137.79 35.27 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.953 1.301 . . . . 0.0 111.12 -178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -140.72 127.26 20.11 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.36 1.464 . . . . 0.0 110.78 -174.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -71.5 134.4 46.5 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.093 -1.005 . . . . 0.0 112.292 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -104.8 81.07 1.71 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 128.175 2.59 . . . . 0.0 105.781 168.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.6 m -79.79 139.43 37.24 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.754 1.222 . . . . 0.0 111.681 -172.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.25 126.1 30.7 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.168 0.587 . . . . 0.0 111.107 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -139.22 109.31 6.4 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.554 1.542 . . . . 0.0 109.637 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 51.96 31.13 8.13 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.937 1.295 . . . . 0.0 114.277 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.33 0.8 90.27 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.692 1.615 . . . . 0.0 115.217 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -106.75 174.01 6.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.898 2.079 . . . . 0.0 111.088 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.9 mm -108.01 120.18 58.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.967 1.307 . . . . 0.0 111.387 -170.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -105.59 128.19 53.47 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.96 1.704 . . . . 0.0 110.09 172.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.9 tt -139.37 127.87 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.841 1.257 . . . . 0.0 110.45 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 54.92 -95.12 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.53 1.532 . . . . 0.0 111.411 -167.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.7 p -119.73 -13.34 9.13 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.325 1.45 . . . . 0.0 113.372 169.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -80.97 135.63 35.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.818 1.647 . . . . 0.0 111.39 -173.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.9 tp -106.44 134.08 50.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.783 1.233 . . . . 0.0 110.781 171.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -131.84 154.34 49.26 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.65 1.98 . . . . 0.0 110.966 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.9 -35.78 82.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -156.46 172.14 19.05 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.544 1.538 . . . . 0.0 111.62 -173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.31 -43.76 98.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.871 0.868 . . . . 0.0 112.935 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.5 -35.45 80.5 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.644 -0.66 . . . . 0.0 112.289 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.753 0.821 . . . . 0.0 112.674 172.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.68 86.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.279 0.632 . . . . 0.0 112.184 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -60.01 -49.77 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.937 0.895 . . . . 0.0 110.342 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.6 m -59.03 -38.79 80.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.675 1.19 . . . . 0.0 112.431 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -60.95 -46.49 90.5 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.209 -0.932 . . . . 0.0 111.846 173.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -77.8 -5.73 51.76 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.8 mmt -76.81 -36.36 56.98 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.984 -1.073 . . . . 0.0 110.144 166.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -88.0 -28.33 21.49 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.01 1.324 . . . . 0.0 113.42 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -128.29 146.71 50.67 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.503 1.521 . . . . 0.0 111.996 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -65.67 136.88 56.87 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.493 -0.754 . . . . 0.0 111.476 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.29 -62.43 1.66 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.4 1.08 . . . . 0.0 110.757 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -142.9 -49.09 0.33 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.517 1.127 . . . . 0.0 111.23 173.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -110.37 -33.68 6.56 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.265 1.426 . . . . 0.0 111.578 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -155.8 174.93 14.61 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.332 1.053 . . . . 0.0 113.285 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.2 m -84.4 158.92 20.94 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.386 1.474 . . . . 0.0 112.218 174.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.4 mt -64.5 146.12 55.06 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.704 1.201 . . . . 0.0 110.979 169.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -136.2 -41.65 0.65 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -149.88 144.76 18.0 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.18 154.77 56.98 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.657 2.238 . . . . 0.0 111.39 170.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 CA--C 1.548 0.872 0 C-N-CA 123.95 0.9 . . . . 0.0 112.057 169.951 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.53 -21.1 46.75 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 122.931 2.421 . . . . 0.0 113.608 -174.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -91.67 -4.64 54.92 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.141 1.776 . . . . 0.0 114.343 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -94.88 128.48 41.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.081 1.309 . . . . 0.0 113.055 -171.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -115.13 -1.45 13.0 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -175.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.15 -141.18 37.14 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.913 -1.117 . . . . 0.0 112.533 -177.032 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.62 56.56 5.64 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 124.487 3.458 . . . . 0.0 113.406 -175.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.4 141.27 45.1 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.798 1.239 . . . . 0.0 110.607 173.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.8 m -87.97 159.82 18.16 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.245 1.018 . . . . 0.0 111.799 173.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -51.41 -52.08 49.18 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.632 0.773 . . . . 0.0 112.651 176.006 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -57.11 -37.27 71.72 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -175.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.46 -42.56 74.72 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.202 1.001 . . . . 0.0 112.343 175.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.36 93.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.489 0.716 . . . . 0.0 111.991 174.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.89 -42.46 85.49 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.593 1.157 . . . . 0.0 112.342 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -65.05 -39.04 92.72 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.034 0.834 . . . . 0.0 111.952 175.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 m -70.21 -44.51 68.46 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mp -76.43 -17.62 59.24 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.7 tp -78.38 -30.19 47.76 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.733 0.813 . . . . 0.0 111.826 168.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -73.75 -33.48 64.31 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.548 1.139 . . . . 0.0 112.455 171.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -83.47 162.12 54.52 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.902 1.681 . . . . 0.0 113.299 178.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -73.71 166.96 28.44 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.335 2.69 . . . . 0.0 112.624 172.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.11 141.08 41.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.586 1.554 . . . . 0.0 113.128 175.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.7 2.17 89.9 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.646 1.117 . . . . 0.0 115.033 -177.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.4 m -75.35 129.81 37.98 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.324 1.062 . . . . 0.0 109.176 168.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -135.05 162.17 33.23 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -177.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.88 160.5 41.71 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.208 1.403 . . . . 0.0 111.036 174.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.6 t -122.75 138.68 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.257 1.023 . . . . 0.0 109.533 169.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -134.13 157.87 45.09 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.342 1.457 . . . . 0.0 111.612 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -63.9 135.35 56.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.192 0.997 . . . . 0.0 110.104 169.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -169.389 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 . . . . . 0 CA--C 1.541 0.615 0 CA-C-O 121.286 0.565 . . . . 0.0 112.188 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -122.7 174.03 7.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.048 1.339 . . . . 0.0 111.369 173.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -138.36 128.11 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.623 1.169 . . . . 0.0 109.841 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -89.55 127.99 35.95 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.361 1.464 . . . . 0.0 107.963 170.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -119.87 137.81 53.79 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.472 0.709 . . . . 0.0 110.147 172.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 t -141.0 144.78 35.23 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.935 0.894 . . . . 0.0 112.23 -174.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.9 p -81.33 110.71 17.03 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.08 -1.013 . . . . 0.0 109.303 172.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -137.26 109.78 7.45 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -170.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 48.0 t30 54.75 57.67 5.49 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.614 1.966 . . . . 0.0 113.348 174.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.41 9.41 86.85 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 115.811 1.084 . . . . 0.0 115.811 172.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -143.56 177.78 8.24 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.241 2.216 . . . . 0.0 110.532 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.68 132.66 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.287 1.035 . . . . 0.0 110.348 173.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.7 p -110.48 158.47 18.47 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.327 1.851 . . . . 0.0 111.37 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -140.45 137.86 34.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.231 1.413 . . . . 0.0 111.028 -178.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -140.11 127.54 21.4 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.024 1.33 . . . . 0.0 111.758 -174.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -67.03 131.0 44.95 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.616 0.766 . . . . 0.0 111.632 176.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.3 mt -108.6 83.11 1.71 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.904 2.081 . . . . 0.0 106.325 169.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.7 m -82.87 137.59 34.21 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 124.55 1.14 . . . . 0.0 111.827 -171.378 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.57 129.27 34.93 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.3 0.64 . . . . 0.0 112.661 -177.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -135.46 111.78 9.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.388 1.475 . . . . 0.0 109.947 171.129 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 51.9 30.19 6.9 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.875 1.27 . . . . 0.0 114.269 -176.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.04 -7.56 77.25 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.921 1.724 . . . . 0.0 115.331 -176.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -86.65 162.32 18.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.489 1.516 . . . . 0.0 111.368 172.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.1 mm -112.51 112.35 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.912 1.685 . . . . 0.0 111.318 -169.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -95.82 127.61 42.0 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.315 1.846 . . . . 0.0 110.058 174.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 tt -142.62 130.55 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.319 1.047 . . . . 0.0 111.178 175.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t70 51.75 -93.0 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.069 1.748 . . . . 0.0 113.12 -169.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.5 p -129.77 8.34 5.3 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.825 2.05 . . . . 0.0 112.813 177.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -106.24 149.31 27.0 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.555 1.942 . . . . 0.0 111.024 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.1 tp -124.29 128.25 48.87 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.387 1.475 . . . . 0.0 110.005 172.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -124.32 156.15 37.47 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.061 1.744 . . . . 0.0 111.204 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.63 -34.22 77.4 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -156.76 172.56 18.39 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.306 1.442 . . . . 0.0 111.416 -172.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -48.51 81.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.133 0.973 . . . . 0.0 112.094 -177.386 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.21 -32.15 73.62 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.057 0.943 . . . . 0.0 112.683 -175.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.52 84.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.574 0.75 . . . . 0.0 112.571 171.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.66 79.83 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.554 0.616 . . . . 0.0 111.894 174.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.3 mm -57.87 -50.81 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 121.536 0.684 . . . . 0.0 109.987 172.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.3 m -59.45 -40.81 88.04 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.311 1.444 . . . . 0.0 112.138 -178.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.31 -46.44 90.29 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.419 -0.8 . . . . 0.0 111.835 173.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -78.06 -6.5 54.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.8 mmt -77.74 -37.52 49.08 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.903 -1.123 . . . . 0.0 110.058 166.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -85.92 -28.52 24.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.856 1.262 . . . . 0.0 113.502 -178.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -129.2 148.28 51.12 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.582 1.553 . . . . 0.0 111.786 -176.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.22 137.16 57.8 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.522 -0.736 . . . . 0.0 111.512 179.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 tt -75.5 -62.39 1.59 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.482 1.113 . . . . 0.0 110.584 -175.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -144.48 -46.04 0.25 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.703 1.201 . . . . 0.0 111.211 172.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -115.5 -31.39 5.91 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.944 1.698 . . . . 0.0 111.743 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -155.14 172.37 18.26 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.358 1.063 . . . . 0.0 113.119 175.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.0 m -83.96 156.78 22.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.094 1.358 . . . . 0.0 112.036 173.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.4 mt -63.32 146.03 54.33 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.417 1.087 . . . . 0.0 110.725 169.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -132.42 -42.41 0.95 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -177.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -154.87 147.66 17.94 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.26 149.2 35.31 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.787 2.324 . . . . 0.0 111.995 173.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.2 tp . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 123.703 0.801 . . . . 0.0 109.589 167.255 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.009 0 N-CA-C 107.596 -2.202 . . . . 0.0 107.596 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 5.4 m -60.89 -175.94 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.177 1.391 . . . . 0.0 113.256 171.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -30.44 -34.98 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.094 1.758 . . . . 0.0 112.509 146.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 82.86 -33.46 2.85 Favored Glycine 0 N--CA 1.48 1.585 0 C-N-CA 125.251 1.405 . . . . 0.0 115.31 143.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.99 14.46 8.49 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 128.302 2.641 . . . . 0.0 111.535 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.5 m -82.93 92.45 7.32 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 116.627 -2.029 . . . . 0.0 109.304 107.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -93.02 -124.01 3.55 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 105.969 -2.852 . . . . 0.0 105.969 127.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.529 ' HB2' ' H ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -18.65 120.38 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 113.302 -1.449 . . . . 0.0 112.959 107.183 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.82 103.86 15.77 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 114.456 -2.898 . . . . 0.0 108.337 98.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.529 ' H ' ' HB2' ' A' ' 1' ' ' MET . 0.3 OUTLIER 47.0 42.47 12.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 107.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.257 . . 51.75 18.09 0.7 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 120.452 3.501 . . . . 0.0 120.452 105.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.48 148.25 24.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.799 133.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.07 156.49 10.25 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.814 0.846 . . . . 0.0 112.528 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -60.99 -30.44 89.85 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 121.841 1.694 . . . . 0.0 112.703 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -80.27 -6.1 57.33 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -90.43 129.48 36.61 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 121.165 1.802 . . . . 0.0 112.709 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -121.76 8.36 9.99 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.728 1.611 . . . . 0.0 114.113 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.62 -144.66 45.88 Favored Glycine 0 CA--C 1.541 1.668 0 O-C-N 120.565 -1.334 . . . . 0.0 113.722 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.32 55.61 4.7 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.599 3.533 . . . . 0.0 113.48 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 tp -76.79 138.96 40.2 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.847 1.259 . . . . 0.0 110.688 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -81.02 163.04 23.54 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.259 -0.901 . . . . 0.0 112.827 173.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -55.47 -48.16 74.98 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.647 -0.658 . . . . 0.0 112.323 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 m -59.95 -39.17 84.66 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.394 0.678 . . . . 0.0 112.051 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.9 -42.26 63.75 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.754 1.621 . . . . 0.0 111.962 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.64 89.28 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.018 0.527 . . . . 0.0 111.496 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -67.76 -40.7 84.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.427 1.091 . . . . 0.0 112.278 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -71.91 -21.03 61.69 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.9 m -80.73 -53.63 6.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.152 0.981 . . . . 0.0 111.27 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.16 -30.24 63.43 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 118.113 -0.946 . . . . 0.0 113.485 -173.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.45 -16.87 63.17 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.784 1.175 . . . . 0.0 112.963 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -95.35 -14.22 24.07 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.316 1.446 . . . . 0.0 113.118 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mmm -101.59 157.56 33.44 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.195 1.798 . . . . 0.0 110.614 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -68.11 163.48 35.8 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 121.901 1.734 . . . . 0.0 111.672 172.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.44 139.4 57.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.908 1.683 . . . . 0.0 113.517 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.96 10.59 78.4 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.727 1.156 . . . . 0.0 113.979 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -83.03 130.44 35.14 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.324 1.062 . . . . 0.0 108.679 169.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -135.61 160.16 39.37 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -174.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -145.12 159.23 43.31 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.132 1.373 . . . . 0.0 111.025 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.0 t -121.02 137.75 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.698 1.199 . . . . 0.0 109.541 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -138.62 161.09 37.99 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.722 1.609 . . . . 0.0 111.305 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.28 146.96 52.35 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.26 1.024 . . . . 0.0 111.12 168.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.6 t -84.86 117.64 24.01 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.228 -0.92 . . . . 0.0 113.178 -165.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.24 3.19 0.11 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -177.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.6 m -134.82 -11.41 2.31 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -153.44 98.77 2.68 Favored Pre-proline 0 N--CA 1.467 0.402 0 CA-C-O 118.512 -0.756 . . . . 0.0 110.427 -165.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -61.73 128.63 25.05 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 121.353 1.369 . . . . 0.0 111.216 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.88 -14.96 64.17 Favored Glycine 0 CA--C 1.541 1.657 0 CA-C-O 118.274 -1.292 . . . . 0.0 115.362 -176.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -80.68 160.29 25.05 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.426 1.613 . . . . 0.0 109.711 162.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -118.19 171.24 8.25 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.106 -0.996 . . . . 0.0 112.125 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.95 128.86 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.064 1.346 . . . . 0.0 109.743 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.79 127.95 35.02 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.816 1.646 . . . . 0.0 107.864 166.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.7 m -117.64 140.77 49.19 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.197 0.999 . . . . 0.0 109.64 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 143.26 41.99 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.136 1.374 . . . . 0.0 113.039 -170.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.9 p -87.36 112.6 22.27 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.403 -0.81 . . . . 0.0 109.705 165.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -147.64 138.05 23.12 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.457 1.103 . . . . 0.0 111.121 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 50.76 46.81 25.47 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.863 1.265 . . . . 0.0 112.931 173.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.03 9.86 54.86 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.946 1.26 . . . . 0.0 116.063 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -135.22 -167.19 1.96 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.855 1.662 . . . . 0.0 110.682 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.0 t -122.03 136.71 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.133 0.973 . . . . 0.0 110.255 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.8 p -114.65 161.42 18.13 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.316 2.246 . . . . 0.0 111.018 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -144.88 131.34 19.77 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.301 1.04 . . . . 0.0 111.133 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -131.87 136.18 47.24 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.479 1.511 . . . . 0.0 110.036 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -82.61 135.94 34.93 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.337 -0.852 . . . . 0.0 111.68 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.8 mt -109.9 81.62 1.47 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.711 2.404 . . . . 0.0 106.755 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.9 m -78.87 145.65 34.05 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.162 0.985 . . . . 0.0 111.591 -173.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.42 124.57 32.16 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -136.45 107.88 6.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.493 1.117 . . . . 0.0 109.73 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.253 36.8 mt-10 48.9 31.83 3.43 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -171.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.34 -4.28 84.22 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 120.818 -1.176 . . . . 0.0 114.87 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -94.78 174.85 6.9 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.613 1.965 . . . . 0.0 110.862 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.2 mm -112.28 115.73 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.204 1.402 . . . . 0.0 110.711 -171.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -98.11 130.07 44.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.528 1.531 . . . . 0.0 109.888 172.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tt -142.24 127.17 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.131 0.972 . . . . 0.0 110.557 173.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 t70 46.71 -115.12 0.57 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.24 0.616 . . . . 0.0 109.862 -160.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.7 p -93.68 -20.48 20.13 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.755 1.622 . . . . 0.0 113.223 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -77.13 146.67 37.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.579 1.552 . . . . 0.0 112.756 -171.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -124.97 124.68 42.53 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.344 1.058 . . . . 0.0 110.484 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -122.03 153.36 38.7 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.759 1.624 . . . . 0.0 110.815 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.04 -36.78 84.7 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -157.33 173.74 16.47 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.451 1.5 . . . . 0.0 110.932 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.04 -40.78 98.72 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.75 -33.54 74.09 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.904 0.774 . . . . 0.0 112.112 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.26 90.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.463 0.705 . . . . 0.0 112.804 169.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.32 80.72 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.677 0.671 . . . . 0.0 112.02 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.5 mm -62.71 -47.68 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.71 -0.619 . . . . 0.0 110.664 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.8 m -61.08 -39.54 90.31 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.462 0.705 . . . . 0.0 111.998 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -58.38 -45.14 88.89 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.151 0.887 . . . . 0.0 112.189 175.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -82.22 6.66 15.99 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.1 mtt -87.25 -41.44 13.69 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.04 -1.038 . . . . 0.0 111.258 160.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -73.89 -33.42 64.01 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.046 0.938 . . . . 0.0 112.551 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -122.65 156.98 33.21 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.279 1.432 . . . . 0.0 111.971 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -71.53 146.56 48.41 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.461 -0.774 . . . . 0.0 111.513 172.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.83 -55.79 3.49 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.414 1.086 . . . . 0.0 111.343 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -152.49 -46.49 0.1 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.248 1.419 . . . . 0.0 110.897 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -119.37 -20.11 7.99 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -160.02 174.96 13.56 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.873 1.269 . . . . 0.0 109.988 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.9 p -90.4 160.37 16.1 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.966 0.889 . . . . 0.0 112.333 166.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.5 mt -65.48 138.76 58.31 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.256 1.422 . . . . 0.0 110.612 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -126.08 -37.44 2.25 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -176.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -157.38 145.17 13.95 Favored Pre-proline 0 CA--C 1.546 0.806 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.1 140.7 34.88 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.964 2.443 . . . . 0.0 112.015 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.29 131.62 50.94 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.609 -0.682 . . . . 0.0 110.797 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -65.71 156.19 33.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.347 1.459 . . . . 0.0 112.563 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 127.226 2.21 . . . . 0.0 110.18 175.018 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 80.1 p -81.19 -22.04 39.18 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 25.7 m 57.1 16.94 3.18 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.327 1.851 . . . . 0.0 115.159 -172.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 157.98 152.91 6.53 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.335 1.445 . . . . 0.0 112.994 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.9 m -63.11 -29.08 70.52 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 49.6 p -64.81 -23.36 67.22 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.388 1.075 . . . . 0.0 113.219 172.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -72.42 -22.69 78.81 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.658 1.123 . . . . 0.0 113.964 173.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt -78.55 -37.24 43.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.505 1.153 . . . . 0.0 111.727 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.95 -15.43 51.33 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.444 1.098 . . . . 0.0 113.853 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.47 16.84 2.66 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.368 2.267 . . . . 0.0 114.755 -171.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.96 156.03 32.33 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.756 1.623 . . . . 0.0 112.273 -178.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.13 156.71 36.27 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.942 1.697 . . . . 0.0 110.789 170.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.83 145.39 78.91 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.131 0.972 . . . . 0.0 111.912 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -63.79 -32.44 67.4 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 122.809 2.34 . . . . 0.0 113.15 -170.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -77.28 -10.71 59.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.377 1.471 . . . . 0.0 114.194 174.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -86.21 132.06 34.09 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.52 1.509 . . . . 0.0 111.741 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -121.72 3.7 10.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.836 1.655 . . . . 0.0 114.426 -176.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -137.41 32.31 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 120.796 -1.19 . . . . 0.0 113.597 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.72 50.21 3.17 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 124.713 3.609 . . . . 0.0 113.668 -173.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 tp -74.14 151.83 39.98 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.88 1.272 . . . . 0.0 110.726 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.7 m -106.86 162.74 13.54 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.003 1.321 . . . . 0.0 111.958 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -52.99 -47.17 68.44 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.824 0.849 . . . . 0.0 112.636 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.1 m -59.89 -38.58 82.67 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.811 0.844 . . . . 0.0 112.4 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.18 -39.5 65.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.039 0.936 . . . . 0.0 112.034 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.66 99.9 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.452 0.701 . . . . 0.0 111.892 173.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.78 -48.81 77.52 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.383 1.073 . . . . 0.0 111.893 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.78 -31.09 72.16 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.629 0.649 . . . . 0.0 112.541 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -71.01 -48.51 52.73 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.533 0.606 . . . . 0.0 112.096 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.41 -26.76 35.13 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -173.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.8 tp -63.8 -24.99 67.98 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.313 0.96 . . . . 0.0 112.373 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -88.73 -11.67 44.45 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.511 1.525 . . . . 0.0 113.744 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.1 mmm -100.36 161.45 24.03 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.591 1.557 . . . . 0.0 113.362 -176.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.53 164.77 24.99 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.448 2.765 . . . . 0.0 112.675 171.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.64 140.38 51.29 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.116 1.367 . . . . 0.0 112.756 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.64 11.46 85.24 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.202 0.906 . . . . 0.0 114.057 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.8 m -74.64 127.22 32.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.112 0.956 . . . . 0.0 109.004 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -132.81 160.07 37.96 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.55 159.42 43.14 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 125.037 1.335 . . . . 0.0 110.959 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -126.17 138.41 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 124.816 1.246 . . . . 0.0 109.727 170.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -136.74 160.4 38.96 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.131 1.372 . . . . 0.0 111.977 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.3 133.67 56.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.845 0.858 . . . . 0.0 110.439 169.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -76.23 135.78 39.69 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -169.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.5 m -62.06 120.84 11.64 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.7 1.2 . . . . 0.0 111.031 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.2 m 52.78 23.93 3.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.688 1.595 . . . . 0.0 115.208 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.3 m -133.08 82.13 55.21 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 125.244 1.418 . . . . 0.0 110.965 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -58.59 134.0 58.07 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.257 2.638 . . . . 0.0 113.628 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.25 -1.72 63.84 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.62 1.105 . . . . 0.0 115.663 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -102.75 164.31 11.71 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.958 1.303 . . . . 0.0 111.7 174.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -127.82 170.3 12.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.166 1.386 . . . . 0.0 112.077 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -137.04 130.0 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.509 1.123 . . . . 0.0 110.111 176.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -90.73 131.93 36.11 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.992 1.717 . . . . 0.0 108.603 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -123.41 141.73 51.7 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.538 0.735 . . . . 0.0 110.536 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.4 t -142.59 145.84 33.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.017 0.927 . . . . 0.0 112.651 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 p -82.88 102.33 11.58 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 122.423 1.106 . . . . 0.0 110.574 173.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.39 141.31 49.84 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.683 1.193 . . . . 0.0 112.648 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.55 35.7 21.53 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.506 1.522 . . . . 0.0 113.539 170.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.48 9.22 77.6 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.37 0.908 . . . . 0.0 115.37 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -131.09 -169.17 2.12 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.209 2.204 . . . . 0.0 111.024 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.34 130.94 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.576 1.15 . . . . 0.0 110.069 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.0 p -106.27 158.36 16.92 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.198 1.799 . . . . 0.0 111.379 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -142.12 138.48 31.68 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.055 1.342 . . . . 0.0 111.585 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -142.42 129.01 20.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.386 1.474 . . . . 0.0 112.108 -175.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -76.93 129.87 36.75 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.573 -0.704 . . . . 0.0 111.437 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.55 104.98 15.43 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.952 2.101 . . . . 0.0 107.568 170.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -94.81 141.08 29.04 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.308 1.443 . . . . 0.0 111.962 -171.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.53 122.25 32.52 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.656 -0.653 . . . . 0.0 111.554 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -136.62 126.86 26.4 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.756 1.222 . . . . 0.0 110.509 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 51.93 28.76 5.41 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.257 1.423 . . . . 0.0 114.674 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.27 84.87 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.497 1.522 . . . . 0.0 115.273 -176.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.36 158.94 15.21 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.315 1.846 . . . . 0.0 111.848 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.2 mm -92.92 118.55 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 125.322 1.449 . . . . 0.0 109.932 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -103.4 148.33 26.03 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.911 1.684 . . . . 0.0 110.885 170.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.9 tt -149.35 116.8 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.386 1.074 . . . . 0.0 109.017 169.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.3 t0 52.55 -102.09 0.13 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.647 1.579 . . . . 0.0 112.73 -168.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.9 p -109.95 -0.98 17.96 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.928 1.691 . . . . 0.0 113.734 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -92.1 148.47 22.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.777 1.631 . . . . 0.0 110.676 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.7 tp -137.45 135.11 36.56 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.42 1.488 . . . . 0.0 111.283 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -140.47 156.88 46.21 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.366 1.867 . . . . 0.0 111.861 -173.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.13 -36.49 84.44 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.486 -0.759 . . . . 0.0 113.036 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -156.35 172.41 18.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.232 1.413 . . . . 0.0 112.386 -172.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.02 -42.32 99.76 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.08 0.952 . . . . 0.0 113.026 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.51 -35.58 80.93 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.828 0.74 . . . . 0.0 112.203 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.53 89.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.939 0.896 . . . . 0.0 112.628 172.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.98 90.42 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.202 0.601 . . . . 0.0 112.347 175.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.33 -50.31 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.28 1.032 . . . . 0.0 110.482 171.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.1 m -59.73 -38.85 82.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.73 1.212 . . . . 0.0 112.409 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.16 -43.02 87.2 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.068 -1.02 . . . . 0.0 111.998 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -80.64 6.22 13.29 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.1 mtt -96.93 -37.77 10.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.507 1.123 . . . . 0.0 109.846 166.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -74.52 -29.24 61.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.631 1.172 . . . . 0.0 113.024 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -129.28 159.41 36.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.231 1.812 . . . . 0.0 111.536 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -75.88 145.84 40.22 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.959 -1.088 . . . . 0.0 111.5 174.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.68 -64.82 1.09 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.762 1.225 . . . . 0.0 110.863 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -139.93 -51.52 0.5 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.47 1.108 . . . . 0.0 111.726 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -111.84 -34.51 5.99 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.104 1.362 . . . . 0.0 111.622 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 t -154.19 -174.95 5.17 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.864 1.266 . . . . 0.0 112.063 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 61.6 p -85.81 169.29 13.5 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.524 1.529 . . . . 0.0 113.025 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.7 mt -76.07 134.43 40.06 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.412 1.485 . . . . 0.0 108.964 168.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -126.95 -37.81 2.08 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -169.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -152.37 146.44 18.38 Favored Pre-proline 0 N--CA 1.474 0.73 0 CA-C-N 118.933 0.788 . . . . 0.0 112.821 172.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.6 147.19 50.91 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.35 2.033 . . . . 0.0 111.341 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.58 143.61 57.69 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.663 -0.648 . . . . 0.0 110.317 169.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -86.87 143.82 27.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.859 0.864 . . . . 0.0 112.204 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.743 2.017 . . . . 0.0 112.589 173.475 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.171 -0.372 . . . . 0.0 112.171 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 32.9 t -72.62 150.0 43.44 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.06 0.944 . . . . 0.0 112.736 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 67.0 p -82.09 -10.86 59.06 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.077 1.351 . . . . 0.0 113.549 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -69.98 155.37 53.18 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.559 1.076 . . . . 0.0 113.888 177.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 38.8 t -151.49 152.66 33.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.131 1.372 . . . . 0.0 111.827 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 88.5 p -79.03 -14.93 58.88 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.231 . . . . 0.0 113.373 170.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 75.68 4.83 77.1 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 125.005 1.288 . . . . 0.0 114.981 -174.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 ttp -73.81 142.04 46.18 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.753 1.276 . . . . 0.0 111.935 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.54 113.37 9.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.898 1.279 . . . . 0.0 111.257 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -103.45 -0.13 30.36 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.101 1.36 . . . . 0.0 113.791 -174.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.44 147.01 49.95 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.188 0.995 . . . . 0.0 112.879 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.0 -178.71 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.291 1.836 . . . . 0.0 114.682 -174.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.79 150.15 95.0 Favored Pre-proline 0 CA--C 1.549 0.924 0 O-C-N 121.181 -0.949 . . . . 0.0 111.69 173.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -63.95 -28.18 66.66 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.961 2.441 . . . . 0.0 113.506 -173.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -74.73 -10.63 59.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.792 1.237 . . . . 0.0 114.282 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -85.77 131.73 34.26 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.392 1.451 . . . . 0.0 111.711 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -123.13 8.45 9.21 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.61 1.564 . . . . 0.0 114.409 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.08 -145.4 42.94 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 120.757 -1.214 . . . . 0.0 113.575 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.92 54.9 5.06 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 124.458 3.439 . . . . 0.0 113.159 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.55 143.35 48.33 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.687 1.195 . . . . 0.0 110.36 172.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -91.74 160.71 15.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.43 1.092 . . . . 0.0 111.941 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -50.72 -52.84 36.54 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.775 0.83 . . . . 0.0 112.688 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 m -58.18 -34.77 70.69 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -73.66 -42.39 61.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.396 1.078 . . . . 0.0 112.433 174.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.04 99.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.522 0.729 . . . . 0.0 111.971 174.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.29 -45.06 81.72 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.813 1.245 . . . . 0.0 111.811 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -64.52 -30.01 71.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.963 0.801 . . . . 0.0 112.935 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -73.67 -50.51 20.58 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.267 0.627 . . . . 0.0 111.583 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.3 -28.01 53.16 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -174.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.5 tp -64.77 -24.36 67.53 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.322 0.965 . . . . 0.0 112.331 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -91.04 -10.91 40.44 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.499 1.52 . . . . 0.0 113.812 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.5 mmm -97.35 161.68 25.23 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.525 1.53 . . . . 0.0 113.041 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.76 163.56 30.13 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.287 2.658 . . . . 0.0 112.382 170.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.32 143.96 51.7 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.602 1.161 . . . . 0.0 112.717 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.37 9.56 86.84 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.198 0.904 . . . . 0.0 114.431 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.6 m -77.17 128.75 34.94 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.405 1.103 . . . . 0.0 109.537 169.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -135.24 160.09 39.48 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -146.42 158.5 43.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.269 1.427 . . . . 0.0 110.602 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 t -123.8 137.68 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 124.565 1.146 . . . . 0.0 109.644 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -137.51 156.13 48.48 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.223 1.409 . . . . 0.0 111.73 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.07 134.5 55.07 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.12 0.568 . . . . 0.0 109.62 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.0 t -66.85 143.45 56.87 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -167.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 m -65.22 -26.88 68.31 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.704 1.202 . . . . 0.0 111.839 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.6 m -76.21 -51.88 11.18 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.68 0.792 . . . . 0.0 112.771 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.9 m -151.66 140.84 13.92 Favored Pre-proline 0 N--CA 1.476 0.825 0 C-N-CA 124.984 1.314 . . . . 0.0 111.937 -173.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -69.1 146.16 63.32 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 122.752 2.302 . . . . 0.0 111.711 174.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.63 -7.56 76.11 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.29 0.948 . . . . 0.0 114.656 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.66 157.51 17.37 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.926 1.69 . . . . 0.0 108.186 167.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -126.51 167.66 15.32 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -169.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.07 128.29 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.865 1.266 . . . . 0.0 109.867 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.5 tp -88.66 122.72 32.4 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.482 1.513 . . . . 0.0 107.9 169.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 m -112.1 137.4 50.21 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.281 0.632 . . . . 0.0 109.756 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.5 t -139.88 143.23 36.61 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.047 0.939 . . . . 0.0 112.087 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 p -80.38 112.84 18.1 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.194 -0.941 . . . . 0.0 109.351 170.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.52 136.98 38.16 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.619 1.168 . . . . 0.0 112.656 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 55.32 33.08 19.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.368 1.467 . . . . 0.0 113.958 172.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.04 7.75 86.74 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.667 1.127 . . . . 0.0 115.194 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 -170.45 2.45 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.965 2.106 . . . . 0.0 111.094 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.6 t -119.7 135.95 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.115 0.966 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.1 p -117.22 158.1 24.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.577 1.951 . . . . 0.0 111.316 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -139.73 136.6 34.34 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.085 1.354 . . . . 0.0 111.243 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -138.19 124.26 20.23 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.167 1.387 . . . . 0.0 111.541 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -78.57 138.17 38.24 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.411 0.684 . . . . 0.0 112.533 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -118.93 100.81 7.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.495 2.318 . . . . 0.0 107.638 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.6 m -94.03 139.88 30.4 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.352 1.061 . . . . 0.0 111.71 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.07 122.21 29.77 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.689 -0.632 . . . . 0.0 111.824 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -131.23 119.79 22.32 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.136 1.374 . . . . 0.0 109.937 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 51.38 30.44 6.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.089 1.355 . . . . 0.0 113.675 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.74 0.38 87.83 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.709 1.623 . . . . 0.0 115.427 -176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -101.77 160.83 14.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.315 1.846 . . . . 0.0 111.562 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.4 mm -98.78 111.83 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.661 1.584 . . . . 0.0 111.678 -169.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -96.86 121.96 39.3 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.615 1.966 . . . . 0.0 110.281 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 tt -141.31 125.67 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.606 1.162 . . . . 0.0 110.355 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.1 t0 45.86 -112.57 0.36 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.478 1.511 . . . . 0.0 112.833 -172.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.5 p -97.5 -1.74 43.43 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.222 1.409 . . . . 0.0 114.108 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -95.95 168.3 10.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.905 1.682 . . . . 0.0 112.257 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 tp -145.79 128.36 16.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.576 1.55 . . . . 0.0 108.904 169.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -125.86 153.89 43.47 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.462 1.505 . . . . 0.0 111.366 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.97 -35.54 80.87 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -157.35 172.36 18.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.645 1.578 . . . . 0.0 111.516 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.48 -41.73 98.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.807 0.843 . . . . 0.0 112.985 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.87 -35.32 80.24 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.407 -0.808 . . . . 0.0 112.205 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.62 93.69 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.791 0.836 . . . . 0.0 112.59 171.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.01 82.82 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.166 0.586 . . . . 0.0 111.997 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.4 mm -57.78 -49.1 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.035 0.934 . . . . 0.0 110.558 173.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.1 m -60.72 -41.66 95.74 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.584 1.154 . . . . 0.0 112.168 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.43 -43.65 93.05 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.088 -1.007 . . . . 0.0 111.66 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -78.08 3.32 15.24 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.1 mtt -95.05 -38.64 10.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.503 1.121 . . . . 0.0 110.032 166.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -74.46 -28.79 61.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.562 1.145 . . . . 0.0 113.038 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -130.02 157.5 42.19 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.258 1.823 . . . . 0.0 111.289 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -74.38 144.49 44.37 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.061 -1.025 . . . . 0.0 111.592 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -82.6 -64.66 1.13 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.699 1.2 . . . . 0.0 110.867 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -139.72 -55.22 0.56 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.678 1.191 . . . . 0.0 111.588 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -104.64 -35.68 7.73 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.004 1.322 . . . . 0.0 111.569 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 t -153.83 178.4 9.95 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.499 1.119 . . . . 0.0 112.636 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.5 p -80.98 164.54 22.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.653 1.581 . . . . 0.0 112.995 171.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.4 mt -73.14 138.69 45.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.39 1.476 . . . . 0.0 109.439 168.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -130.78 -39.94 1.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -170.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -150.02 144.42 17.6 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 118.794 0.725 . . . . 0.0 112.938 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.46 149.23 55.84 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.405 2.07 . . . . 0.0 111.164 172.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.37 143.39 57.85 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.556 -0.715 . . . . 0.0 110.522 169.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -79.27 145.95 33.25 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.948 0.899 . . . . 0.0 112.203 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.268 1.427 . . . . 0.0 112.091 173.662 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 19.5 m -61.08 -25.17 66.76 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -172.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 19.4 m -76.01 -2.67 31.71 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.072 1.349 . . . . 0.0 114.229 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -74.38 -1.15 60.06 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.204 1.383 . . . . 0.0 115.929 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 74.1 p -70.5 160.27 32.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.849 1.325 . . . . 0.0 113.266 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 77.5 p -143.72 158.31 43.77 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.194 1.398 . . . . 0.0 112.85 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -76.47 166.68 54.31 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.615 1.102 . . . . 0.0 114.465 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt -146.83 147.22 30.63 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.749 1.62 . . . . 0.0 110.72 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.78 51.48 16.45 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.289 1.435 . . . . 0.0 113.187 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -83.38 3.36 32.09 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -171.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.53 150.57 45.99 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.43 1.092 . . . . 0.0 112.911 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.38 170.8 0.06 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 127.009 2.124 . . . . 0.0 115.046 -173.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.85 143.1 83.97 Favored Pre-proline 0 CA--C 1.549 0.914 0 O-C-N 121.118 -0.989 . . . . 0.0 111.921 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.83 -23.71 41.17 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.062 2.508 . . . . 0.0 113.336 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -86.91 -5.81 58.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.609 1.563 . . . . 0.0 114.406 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -89.13 130.49 35.56 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.553 1.524 . . . . 0.0 112.479 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -121.16 8.57 10.36 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.262 1.425 . . . . 0.0 114.284 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.74 -145.24 46.59 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 120.939 -1.1 . . . . 0.0 113.101 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -77.8 55.26 5.17 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 124.417 3.412 . . . . 0.0 113.047 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -72.83 141.72 48.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.633 1.173 . . . . 0.0 110.572 174.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.2 m -88.2 160.3 17.78 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.036 0.935 . . . . 0.0 112.367 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -50.8 -54.05 26.83 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.833 0.853 . . . . 0.0 112.559 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -58.42 -36.18 73.23 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -175.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -70.59 -43.73 68.77 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.125 0.97 . . . . 0.0 112.357 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.74 99.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.501 0.72 . . . . 0.0 112.072 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -67.3 -44.78 78.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.755 1.222 . . . . 0.0 111.99 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -65.93 -33.61 76.23 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.236 0.925 . . . . 0.0 112.35 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.2 m -67.43 -47.55 69.87 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.449 0.568 . . . . 0.0 111.917 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.01 -26.92 43.23 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -64.91 -27.13 68.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.505 1.048 . . . . 0.0 112.292 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -85.65 -11.94 52.59 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.099 1.359 . . . . 0.0 113.665 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.0 mmm -99.48 162.02 22.65 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 125.995 1.718 . . . . 0.0 112.508 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.97 163.03 39.94 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.778 2.319 . . . . 0.0 112.114 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.52 138.17 52.23 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.502 1.121 . . . . 0.0 112.253 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.42 4.24 77.22 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.777 1.18 . . . . 0.0 115.273 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.4 m -76.18 129.78 37.26 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.892 0.877 . . . . 0.0 109.291 169.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -134.29 162.6 31.72 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -175.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -148.16 159.3 44.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.373 1.469 . . . . 0.0 111.002 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -122.88 137.61 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.671 1.188 . . . . 0.0 109.856 170.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ptt85 -136.79 153.91 50.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.213 1.405 . . . . 0.0 111.671 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.67 134.79 53.99 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.323 0.649 . . . . 0.0 109.628 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 t -67.01 132.45 47.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 122.266 1.032 . . . . 0.0 113.592 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -9.25 58.52 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.797 1.639 . . . . 0.0 113.755 174.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.9 p -104.72 -32.18 9.0 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 171.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.0 m -140.27 88.24 11.56 Favored Pre-proline 0 N--CA 1.473 0.709 0 C-N-CA 123.931 0.892 . . . . 0.0 112.195 -168.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -53.84 133.33 54.03 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.242 2.628 . . . . 0.0 112.931 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.24 -16.04 61.52 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.773 1.178 . . . . 0.0 114.657 -173.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -98.36 162.33 13.23 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.973 1.309 . . . . 0.0 109.675 167.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -121.33 169.78 10.26 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.205 -0.934 . . . . 0.0 112.292 -175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.9 t -137.38 128.03 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.811 1.244 . . . . 0.0 109.92 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 tp -87.92 120.99 29.8 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.781 1.632 . . . . 0.0 108.014 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 m -112.43 136.15 52.27 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.688 0.795 . . . . 0.0 109.745 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 t -140.35 142.99 35.52 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.017 0.927 . . . . 0.0 111.848 -174.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 p -78.96 113.43 17.07 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.008 -1.058 . . . . 0.0 109.014 170.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -140.81 141.3 34.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.149 0.979 . . . . 0.0 112.471 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 56.58 34.48 24.5 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.929 1.292 . . . . 0.0 113.789 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.96 7.86 71.84 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.32 0.962 . . . . 0.0 115.044 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -130.68 -169.28 2.12 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.286 2.235 . . . . 0.0 110.887 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -121.57 133.99 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.412 1.085 . . . . 0.0 110.044 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.5 p -114.05 156.74 23.58 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.505 1.922 . . . . 0.0 111.082 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -138.71 136.06 35.41 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.895 1.278 . . . . 0.0 111.182 -177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -138.55 123.47 18.89 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.27 1.428 . . . . 0.0 110.727 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -81.4 136.0 35.68 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.34 -0.85 . . . . 0.0 112.25 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -108.39 94.3 4.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.679 2.391 . . . . 0.0 107.401 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.5 m -86.24 135.54 33.52 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 124.949 1.3 . . . . 0.0 111.544 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.43 122.86 25.12 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.398 0.679 . . . . 0.0 110.748 172.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -132.65 104.22 6.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.043 1.737 . . . . 0.0 109.081 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 51.54 31.75 8.02 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.992 1.317 . . . . 0.0 113.998 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.17 -1.82 87.61 Favored Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.922 1.725 . . . . 0.0 115.44 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -101.7 170.01 8.45 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.215 1.806 . . . . 0.0 111.367 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.0 mm -104.79 116.83 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.017 1.327 . . . . 0.0 111.272 -170.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -103.03 128.39 49.9 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.622 1.569 . . . . 0.0 109.995 171.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 tt -139.29 127.0 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.956 1.302 . . . . 0.0 110.302 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.6 t70 55.51 -88.98 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.001 1.72 . . . . 0.0 111.854 -167.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.7 p -126.71 -12.81 5.99 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.606 1.563 . . . . 0.0 113.167 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -81.17 137.47 35.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.767 1.627 . . . . 0.0 111.192 -174.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.9 tp -109.39 134.1 52.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.009 1.324 . . . . 0.0 111.18 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -133.49 155.42 49.59 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 126.591 1.956 . . . . 0.0 111.096 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.99 -35.84 81.67 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -156.65 172.41 18.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.537 1.535 . . . . 0.0 111.709 -173.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.22 -42.89 99.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.735 0.814 . . . . 0.0 112.897 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.08 -35.25 80.15 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.564 -0.71 . . . . 0.0 112.377 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.11 91.34 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.58 0.752 . . . . 0.0 112.707 171.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.91 86.05 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.125 0.57 . . . . 0.0 112.17 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.25 -50.29 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.918 0.887 . . . . 0.0 110.389 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.5 m -59.11 -39.0 80.94 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.797 1.239 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -60.52 -46.06 91.53 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.148 -0.97 . . . . 0.0 111.756 173.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -78.37 -5.32 51.93 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.4 mmt -78.86 -37.21 40.9 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.889 -1.132 . . . . 0.0 109.901 166.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -82.74 -37.89 24.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.018 1.327 . . . . 0.0 112.666 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -117.98 150.78 38.68 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.731 1.612 . . . . 0.0 111.952 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.48 138.4 55.19 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.081 -1.012 . . . . 0.0 111.505 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.82 -62.53 1.66 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.751 1.22 . . . . 0.0 110.651 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -142.95 -52.44 0.38 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.643 1.177 . . . . 0.0 111.54 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -110.08 -31.91 7.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.111 1.364 . . . . 0.0 111.857 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -152.49 173.97 14.48 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.757 1.223 . . . . 0.0 112.419 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.9 p -85.12 160.79 19.87 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.77 1.228 . . . . 0.0 111.618 169.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.61 138.0 58.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.357 1.063 . . . . 0.0 110.399 173.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -117.48 -45.18 2.72 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.893 0.877 . . . . 0.0 112.882 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -155.71 147.98 17.56 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 123.799 0.839 . . . . 0.0 113.256 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -70.31 148.03 60.6 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.446 2.097 . . . . 0.0 111.086 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.2 tp -58.07 133.36 55.49 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.619 -0.676 . . . . 0.0 110.232 169.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -80.89 149.65 29.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.021 0.928 . . . . 0.0 111.963 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.867 1.667 . . . . 0.0 113.329 -178.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 76.9 p -148.52 172.09 15.06 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.287 1.435 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 15.7 m -74.72 3.31 8.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.976 1.311 . . . . 0.0 114.307 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -63.86 -8.81 30.25 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.434 1.492 . . . . 0.0 115.972 -175.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 66.9 p -73.47 -9.89 59.15 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.237 1.415 . . . . 0.0 113.874 169.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.3 t -130.13 162.28 29.19 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.218 1.807 . . . . 0.0 112.167 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 173.06 -171.88 44.75 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.972 1.272 . . . . 0.0 113.512 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt -71.94 153.43 41.84 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.132 0.973 . . . . 0.0 112.273 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.02 161.07 39.12 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.252 1.421 . . . . 0.0 112.2 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -80.03 78.94 6.63 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.584 1.154 . . . . 0.0 110.886 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.0 156.18 39.95 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.509 1.123 . . . . 0.0 113.254 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.7 166.7 24.03 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.884 1.674 . . . . 0.0 111.458 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.6 152.5 45.65 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.212 1.005 . . . . 0.0 113.006 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.16 -22.39 40.86 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.703 2.269 . . . . 0.0 112.893 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -94.69 -7.02 41.92 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.745 1.618 . . . . 0.0 114.776 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -89.08 132.83 34.61 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.42 1.464 . . . . 0.0 112.514 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -122.51 3.86 9.63 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.514 1.526 . . . . 0.0 114.422 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.74 -139.59 37.09 Favored Glycine 0 CA--C 1.538 1.516 0 CA-C-O 118.563 -1.132 . . . . 0.0 113.261 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -77.39 48.92 2.7 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 124.826 3.684 . . . . 0.0 113.809 -174.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.45 142.29 48.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.007 1.323 . . . . 0.0 110.457 174.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -95.06 169.53 10.05 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.722 0.809 . . . . 0.0 112.126 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -54.54 -52.27 62.59 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.76 0.824 . . . . 0.0 112.123 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 m -58.9 -36.31 74.49 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.358 0.526 . . . . 0.0 112.356 -175.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -71.75 -42.99 66.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.072 0.949 . . . . 0.0 112.162 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.08 99.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.611 0.764 . . . . 0.0 112.124 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.68 -47.71 80.1 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.378 1.471 . . . . 0.0 111.635 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.57 -33.2 75.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.874 0.761 . . . . 0.0 112.351 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -70.24 -48.61 56.15 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.462 0.574 . . . . 0.0 112.236 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mp -79.52 -25.91 41.63 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.63 -26.39 67.04 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.601 1.091 . . . . 0.0 112.208 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.49 -13.0 53.19 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.155 1.382 . . . . 0.0 113.467 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mmm -98.18 162.12 23.12 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 126.105 1.762 . . . . 0.0 112.522 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -71.4 163.93 37.42 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.884 2.389 . . . . 0.0 112.06 171.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.44 140.49 50.33 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.904 1.282 . . . . 0.0 112.255 174.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.11 2.54 80.45 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.077 1.322 . . . . 0.0 115.272 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.4 m -77.62 132.7 38.38 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.357 1.079 . . . . 0.0 110.061 169.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.72 161.94 34.56 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.45 160.61 42.39 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.272 1.429 . . . . 0.0 111.325 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.6 t -123.44 138.32 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.594 1.158 . . . . 0.0 110.037 170.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -137.76 155.01 49.51 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.348 1.459 . . . . 0.0 111.609 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.4 134.29 56.24 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.637 0.775 . . . . 0.0 109.641 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -68.92 130.93 44.19 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 122.46 1.124 . . . . 0.0 113.891 -168.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -75.75 -7.77 55.2 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.741 1.617 . . . . 0.0 113.212 170.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.3 m -96.08 -30.52 13.5 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.574 1.149 . . . . 0.0 113.789 174.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -156.74 129.76 4.41 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.804 0.842 . . . . 0.0 112.528 -174.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.45 137.9 40.83 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.698 2.266 . . . . 0.0 111.837 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.4 -8.22 65.46 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.494 1.045 . . . . 0.0 115.198 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -96.37 165.45 12.18 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.09 1.356 . . . . 0.0 110.07 168.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -127.77 167.76 16.06 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.174 -0.954 . . . . 0.0 112.622 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.2 t -136.42 129.64 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.809 1.244 . . . . 0.0 109.855 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.9 tp -90.4 124.73 35.19 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.048 1.739 . . . . 0.0 107.733 169.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.6 m -118.68 135.77 54.29 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.744 0.818 . . . . 0.0 110.267 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 65.6 m -138.83 138.41 37.49 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.35 1.06 . . . . 0.0 112.385 -170.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 p -78.26 106.77 10.4 Favored 'General case' 0 CA--C 1.527 0.071 0 C-N-CA 123.856 0.862 . . . . 0.0 108.968 169.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -143.17 149.41 37.99 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.05 0.94 . . . . 0.0 112.949 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 56.84 32.68 21.81 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.269 1.428 . . . . 0.0 113.832 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.92 11.22 78.43 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.604 1.097 . . . . 0.0 114.969 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -136.74 -170.13 2.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.317 2.247 . . . . 0.0 110.798 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.82 139.88 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.463 1.105 . . . . 0.0 109.718 171.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.9 p -127.98 156.91 41.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.818 1.647 . . . . 0.0 111.066 -172.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -137.6 140.71 41.11 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.755 1.222 . . . . 0.0 111.707 -174.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -140.31 125.3 18.45 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.726 1.61 . . . . 0.0 110.415 -174.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -81.29 135.78 35.74 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.493 -0.754 . . . . 0.0 112.672 -173.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mt -111.79 95.99 5.81 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.249 2.219 . . . . 0.0 107.607 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.7 m -91.5 136.01 33.43 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.648 1.179 . . . . 0.0 111.726 -173.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.2 129.35 34.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.483 0.713 . . . . 0.0 112.338 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -133.15 107.72 8.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.368 1.467 . . . . 0.0 109.94 170.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 51.83 30.41 7.0 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.833 1.253 . . . . 0.0 114.111 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.0 -9.29 77.39 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 126.177 1.846 . . . . 0.0 115.383 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.11 159.52 22.07 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.876 1.338 . . . . 0.0 111.524 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mm -108.15 112.08 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 126.067 1.747 . . . . 0.0 110.575 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -96.54 127.96 43.02 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.031 1.732 . . . . 0.0 109.976 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.9 tt -144.22 127.81 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.151 0.98 . . . . 0.0 111.668 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 55.59 -75.23 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.777 2.431 . . . . 0.0 114.701 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 t -142.05 -2.75 1.13 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.52 1.928 . . . . 0.0 112.84 175.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -100.01 150.67 22.2 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.635 1.974 . . . . 0.0 110.934 -174.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.0 tp -128.03 131.68 49.16 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.439 1.496 . . . . 0.0 110.654 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -131.38 157.48 43.29 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.672 1.589 . . . . 0.0 112.19 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.28 -35.77 82.05 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -157.44 173.05 17.5 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.53 1.532 . . . . 0.0 112.206 -173.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.86 -43.52 98.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.143 0.977 . . . . 0.0 113.095 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.39 -34.99 78.94 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.392 -0.817 . . . . 0.0 112.337 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.48 89.97 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.831 0.853 . . . . 0.0 112.603 172.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.99 81.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.279 0.631 . . . . 0.0 112.088 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.8 mm -57.57 -50.57 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.13 0.972 . . . . 0.0 110.498 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.1 m -60.64 -42.02 96.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.583 1.153 . . . . 0.0 112.178 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -58.84 -43.23 90.68 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.177 -0.952 . . . . 0.0 111.706 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -77.87 4.37 12.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 55.2 mtt -96.71 -36.06 10.8 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.5 1.12 . . . . 0.0 110.188 166.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.61 -28.89 56.3 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.261 1.024 . . . . 0.0 113.076 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -131.1 159.48 37.5 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.37 1.868 . . . . 0.0 111.558 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -73.7 144.11 45.91 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.049 -1.032 . . . . 0.0 111.751 175.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tt -83.01 -63.41 1.37 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.675 1.19 . . . . 0.0 110.618 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -144.51 -65.57 0.35 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.317 1.447 . . . . 0.0 110.338 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -89.78 -35.11 15.9 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.273 1.029 . . . . 0.0 112.809 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -158.97 -176.59 5.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.811 1.644 . . . . 0.0 111.141 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 p -89.87 159.52 16.93 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.634 1.574 . . . . 0.0 112.143 169.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.8 mt -66.33 137.88 57.22 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.065 1.346 . . . . 0.0 110.92 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -113.88 -46.88 2.99 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -152.22 145.73 17.81 Favored Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.79 141.8 31.05 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.837 2.358 . . . . 0.0 111.56 173.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.67 133.69 56.34 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.624 -0.673 . . . . 0.0 109.435 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -78.32 134.02 37.54 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.688 -0.633 . . . . 0.0 111.56 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 C-N-CA 126.221 1.808 . . . . 0.0 111.857 175.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 31.2 m 52.41 37.01 21.5 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.856 1.262 . . . . 0.0 113.05 -171.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 13.8 m -72.51 153.01 41.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.739 1.616 . . . . 0.0 113.521 -169.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 73.82 -169.31 53.69 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.42 1.009 . . . . 0.0 114.476 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 59.7 p -151.91 177.49 10.39 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.411 1.484 . . . . 0.0 112.241 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.1 m -70.74 -5.17 27.95 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.647 1.179 . . . . 0.0 114.133 173.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 73.09 -171.82 50.49 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.876 1.227 . . . . 0.0 114.471 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ptm -80.39 46.68 0.86 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.767 1.627 . . . . 0.0 113.709 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.05 149.09 45.91 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.702 1.201 . . . . 0.0 113.131 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -100.84 25.12 8.3 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.212 1.405 . . . . 0.0 113.313 -173.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.85 152.02 45.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.485 1.114 . . . . 0.0 113.494 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.52 169.66 17.28 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.883 1.673 . . . . 0.0 111.788 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.35 146.9 92.52 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 123.833 0.853 . . . . 0.0 112.137 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.32 -22.65 52.68 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.18 2.587 . . . . 0.0 113.767 -171.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -83.51 -7.5 59.52 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.318 1.447 . . . . 0.0 114.461 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -88.62 131.0 35.15 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.62 1.555 . . . . 0.0 112.56 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -122.85 8.29 9.37 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.408 1.483 . . . . 0.0 114.618 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.82 -142.04 39.31 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 120.74 -1.225 . . . . 0.0 113.574 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -77.6 51.51 3.59 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 124.811 3.674 . . . . 0.0 113.415 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.36 141.16 48.76 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.056 1.343 . . . . 0.0 110.697 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.2 p -83.61 167.67 17.08 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.624 -0.672 . . . . 0.0 112.352 174.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -57.23 -50.92 71.36 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.758 -0.589 . . . . 0.0 110.797 168.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -57.87 -40.45 80.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.696 0.798 . . . . 0.0 112.371 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -67.85 -42.88 80.66 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.359 0.664 . . . . 0.0 112.17 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.18 99.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.517 0.727 . . . . 0.0 112.151 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.48 -45.08 85.05 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.496 1.118 . . . . 0.0 112.019 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -64.96 -33.1 75.23 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.94 0.791 . . . . 0.0 112.299 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -70.61 -50.45 36.92 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.239 0.616 . . . . 0.0 111.934 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.43 -21.73 52.58 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -175.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.1 tp -70.45 -28.29 64.9 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.399 1.0 . . . . 0.0 112.249 171.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -79.1 -32.98 44.81 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.304 1.042 . . . . 0.0 112.498 173.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.6 mmm -78.63 161.48 69.24 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 125.51 1.524 . . . . 0.0 113.117 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.67 162.29 40.0 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.217 2.611 . . . . 0.0 112.236 173.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -57.37 132.86 54.35 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.955 1.302 . . . . 0.0 112.14 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.31 0.19 59.77 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.426 1.489 . . . . 0.0 114.475 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 m -74.9 131.9 41.06 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.825 0.85 . . . . 0.0 109.33 169.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -136.56 162.16 33.88 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -148.79 158.75 44.38 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.943 1.297 . . . . 0.0 111.054 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.6 t -122.9 138.85 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.786 1.234 . . . . 0.0 109.915 170.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -139.27 155.86 47.45 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.215 1.406 . . . . 0.0 111.77 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.97 135.31 57.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.484 0.714 . . . . 0.0 109.699 169.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.3 t -67.51 134.33 51.11 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -168.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -7.85 56.49 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.64 1.576 . . . . 0.0 113.253 171.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.0 m -82.22 -52.62 6.78 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.216 0.916 . . . . 0.0 111.994 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -153.44 144.97 16.52 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 124.766 1.227 . . . . 0.0 112.053 -170.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.6 148.46 78.3 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 122.957 2.438 . . . . 0.0 112.138 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.6 -5.66 73.1 Favored Glycine 0 CA--C 1.541 1.686 0 C-N-CA 124.582 1.087 . . . . 0.0 115.298 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -105.02 162.58 13.24 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.675 1.59 . . . . 0.0 110.268 169.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -126.74 167.97 15.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.104 0.961 . . . . 0.0 112.273 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -138.43 130.95 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.759 1.224 . . . . 0.0 110.03 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.6 tp -92.09 121.11 33.33 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.426 1.89 . . . . 0.0 108.31 170.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -113.08 134.98 54.28 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.677 0.791 . . . . 0.0 110.027 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 77.4 m -136.55 142.68 43.43 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.546 1.138 . . . . 0.0 112.481 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.9 p -81.8 112.39 18.9 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.304 -0.873 . . . . 0.0 108.784 169.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -138.53 134.86 34.44 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.131 0.973 . . . . 0.0 112.558 -174.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.5 t30 52.63 37.58 23.76 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.395 1.478 . . . . 0.0 113.851 170.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.5 7.16 78.43 Favored Glycine 0 CA--C 1.541 1.682 0 N-CA-C 115.565 0.986 . . . . 0.0 115.565 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -127.48 -172.26 2.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.041 2.137 . . . . 0.0 110.96 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -120.51 135.1 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.459 1.104 . . . . 0.0 110.066 173.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 p -117.88 157.77 26.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.622 1.969 . . . . 0.0 111.192 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -138.0 136.53 37.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.963 1.305 . . . . 0.0 111.1 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -136.7 126.26 25.27 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.446 1.498 . . . . 0.0 111.021 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.95 128.14 33.11 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.549 -0.719 . . . . 0.0 111.644 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.3 87.08 2.95 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.216 2.206 . . . . 0.0 107.286 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 m -82.65 139.41 33.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 125.12 1.368 . . . . 0.0 111.733 -174.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.2 127.9 32.95 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.176 0.591 . . . . 0.0 111.223 173.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -139.73 108.08 5.82 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.489 1.516 . . . . 0.0 109.726 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 53.26 30.65 10.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.888 1.275 . . . . 0.0 113.962 -175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.93 -0.53 89.65 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.954 1.74 . . . . 0.0 115.306 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -102.76 173.93 6.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.675 1.99 . . . . 0.0 111.143 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.4 mm -107.11 119.53 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.151 1.381 . . . . 0.0 111.239 -171.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -105.14 129.47 53.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.722 1.609 . . . . 0.0 109.941 171.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.19 125.51 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.006 1.322 . . . . 0.0 109.778 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 53.36 -101.58 0.12 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.011 1.324 . . . . 0.0 111.174 -167.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.0 p -109.96 -15.17 14.13 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.998 1.319 . . . . 0.0 113.783 170.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -80.94 134.23 35.68 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.546 1.538 . . . . 0.0 111.417 -172.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.7 tp -105.76 134.25 49.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.671 1.188 . . . . 0.0 110.806 170.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -131.92 154.67 49.02 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.736 2.014 . . . . 0.0 110.872 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.64 -36.08 82.67 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -156.42 172.16 18.99 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.506 1.522 . . . . 0.0 111.658 -173.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.34 -43.29 99.12 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.775 0.83 . . . . 0.0 112.949 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -63.82 -35.6 81.17 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.634 -0.666 . . . . 0.0 112.334 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.34 93.34 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.704 0.802 . . . . 0.0 112.602 172.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.53 87.41 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.237 0.615 . . . . 0.0 112.154 176.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.61 -49.08 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.09 0.956 . . . . 0.0 110.452 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.1 m -59.35 -41.16 88.55 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.433 1.093 . . . . 0.0 112.242 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.11 -43.98 91.96 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.118 -0.989 . . . . 0.0 111.789 175.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -79.57 2.34 22.62 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 51.7 mtt -92.14 -37.5 12.7 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.26 1.024 . . . . 0.0 109.895 166.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -76.55 -28.94 56.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.602 1.161 . . . . 0.0 113.115 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.85 156.54 44.2 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.09 1.756 . . . . 0.0 111.622 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.73 144.67 47.56 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.948 -1.095 . . . . 0.0 111.656 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tt -83.19 -62.55 1.56 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.755 1.222 . . . . 0.0 110.866 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -144.0 -54.57 0.36 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.234 1.014 . . . . 0.0 111.687 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.59 -30.92 7.17 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.507 1.523 . . . . 0.0 111.913 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -149.35 176.01 10.93 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.053 1.341 . . . . 0.0 112.26 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.3 p -89.92 167.44 12.81 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.235 1.414 . . . . 0.0 111.787 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 mt -72.66 124.37 25.15 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.324 1.05 . . . . 0.0 109.783 170.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -110.07 -42.55 4.16 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.087 0.955 . . . . 0.0 112.948 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -155.31 146.88 16.93 Favored Pre-proline 0 N--CA 1.472 0.669 0 C-N-CA 123.775 0.83 . . . . 0.0 113.102 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -70.48 145.93 54.36 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.472 2.115 . . . . 0.0 110.927 170.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.75 135.31 56.77 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.559 -0.713 . . . . 0.0 110.381 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -81.46 151.43 27.85 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.87 0.868 . . . . 0.0 111.739 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.142 0 C-N-CA 125.83 1.652 . . . . 0.0 112.47 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.3 m -136.72 150.56 48.5 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.216 1.407 . . . . 0.0 111.863 -176.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 43.4 m -58.28 130.98 49.2 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.167 0.987 . . . . 0.0 111.671 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 61.1 15.15 42.53 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.09 0.852 . . . . 0.0 114.927 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.2 m 56.73 23.06 7.48 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.09 1.756 . . . . 0.0 114.385 -169.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 67.6 m -71.13 142.16 50.75 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.395 1.078 . . . . 0.0 113.065 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -84.41 -163.84 36.8 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.889 1.233 . . . . 0.0 113.923 174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.4 mtm -130.9 152.16 50.53 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.621 1.568 . . . . 0.0 111.2 176.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.38 142.19 50.35 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.592 0.757 . . . . 0.0 112.212 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -85.05 62.05 7.26 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.561 1.144 . . . . 0.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 56.18 17.23 2.65 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.626 1.97 . . . . 0.0 115.718 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.43 152.04 45.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.157 1.383 . . . . 0.0 112.748 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.49 150.48 44.55 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.518 1.127 . . . . 0.0 113.055 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -67.22 -16.76 49.37 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.174 2.583 . . . . 0.0 113.667 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -96.59 -3.07 43.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.369 1.867 . . . . 0.0 114.195 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -90.48 130.68 36.51 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 120.273 1.397 . . . . 0.0 112.941 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -118.83 -0.0 11.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.406 1.483 . . . . 0.0 114.729 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.41 -139.44 35.53 Favored Glycine 0 CA--C 1.54 1.649 0 CA-C-O 118.308 -1.273 . . . . 0.0 113.419 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -65.21 32.48 0.1 Allowed 'Trans proline' 0 CA--C 1.552 1.375 1 C-N-CA 125.848 4.366 . . . . 0.0 117.947 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.13 137.95 56.7 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.161 1.385 . . . . 0.0 111.264 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -94.1 173.36 7.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.083 0.953 . . . . 0.0 112.371 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -54.5 -55.98 23.51 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.984 0.914 . . . . 0.0 111.88 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 m -59.37 -35.43 73.9 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -173.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -69.98 -41.03 74.98 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.9 0.88 . . . . 0.0 112.51 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.92 84.03 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.722 0.809 . . . . 0.0 112.034 173.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -64.68 -47.33 78.77 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.472 1.509 . . . . 0.0 111.763 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -66.79 -16.92 64.6 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.1 m -86.88 -54.37 4.39 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.178 0.991 . . . . 0.0 111.743 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.68 -24.08 61.77 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -175.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.0 -27.07 67.85 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.252 0.933 . . . . 0.0 112.584 172.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -86.14 -22.57 26.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.924 1.29 . . . . 0.0 112.823 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.0 mmm -86.13 161.19 50.19 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 125.985 1.714 . . . . 0.0 112.36 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.23 162.44 41.63 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 122.778 2.318 . . . . 0.0 111.817 172.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -54.4 141.43 30.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.734 1.214 . . . . 0.0 112.252 172.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.51 2.7 82.07 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.224 0.916 . . . . 0.0 114.859 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -79.5 131.17 35.97 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.375 1.087 . . . . 0.0 109.245 169.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -138.79 163.01 33.32 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -150.27 158.19 43.89 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.152 1.381 . . . . 0.0 110.995 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.0 t -122.78 138.41 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.496 1.119 . . . . 0.0 109.986 172.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -141.25 160.26 40.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.16 1.384 . . . . 0.0 112.05 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.99 139.52 58.41 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.379 1.071 . . . . 0.0 111.44 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 t -73.55 148.12 43.31 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -171.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 p -71.0 -12.26 61.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.372 1.869 . . . . 0.0 113.978 172.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.8 p -147.93 154.19 40.04 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.823 1.649 . . . . 0.0 111.754 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.8 m 50.53 80.4 0.3 Allowed Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 125.736 1.614 . . . . 0.0 114.071 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -49.23 135.71 31.14 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.981 3.12 . . . . 0.0 113.807 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.96 -17.11 55.09 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.232 1.396 . . . . 0.0 113.434 -169.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -85.38 161.97 19.23 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.369 1.067 . . . . 0.0 111.075 168.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -129.81 174.01 10.12 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.256 1.422 . . . . 0.0 111.785 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.37 127.96 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.808 1.243 . . . . 0.0 110.173 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.7 tp -89.6 123.33 33.57 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.651 1.58 . . . . 0.0 108.041 169.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -116.04 134.16 55.25 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.863 0.865 . . . . 0.0 110.062 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -137.41 144.15 42.25 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.399 1.08 . . . . 0.0 112.591 -170.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.5 p -81.79 115.1 20.85 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 168.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -143.03 136.22 28.19 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.693 1.197 . . . . 0.0 112.217 -174.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 t30 52.84 37.34 23.86 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.934 1.694 . . . . 0.0 113.989 172.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.1 7.93 72.71 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -130.03 -170.4 2.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.286 2.234 . . . . 0.0 110.791 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.15 136.81 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.541 1.136 . . . . 0.0 110.279 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.4 p -120.6 159.16 25.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.692 1.997 . . . . 0.0 111.371 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -140.21 138.13 34.87 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.977 1.311 . . . . 0.0 111.358 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -138.56 127.94 24.49 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.246 1.419 . . . . 0.0 111.895 -174.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -73.14 129.46 38.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.96 0.904 . . . . 0.0 111.431 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.48 97.24 7.1 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.526 1.931 . . . . 0.0 107.497 169.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.1 m -88.23 133.49 34.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.76 1.224 . . . . 0.0 111.359 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.92 125.22 28.94 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.794 -0.566 . . . . 0.0 110.59 172.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -137.24 108.32 6.76 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.636 1.574 . . . . 0.0 109.458 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.6 33.08 7.52 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.265 1.426 . . . . 0.0 114.699 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.86 88.58 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 125.965 1.745 . . . . 0.0 115.397 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -102.83 174.5 5.85 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.089 2.156 . . . . 0.0 111.103 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.3 mm -110.37 121.56 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.544 1.537 . . . . 0.0 111.056 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -105.33 130.49 53.44 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.959 1.704 . . . . 0.0 109.943 171.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.8 tt -139.28 126.8 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.745 1.218 . . . . 0.0 110.167 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.2 t70 55.37 -89.65 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.968 1.707 . . . . 0.0 111.878 -167.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.5 p -125.26 -13.43 6.7 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.442 1.497 . . . . 0.0 113.347 169.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -79.79 134.39 36.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.623 1.569 . . . . 0.0 111.041 -174.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.74 134.29 49.1 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.588 1.155 . . . . 0.0 111.103 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -132.39 155.33 48.65 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 127.065 2.146 . . . . 0.0 110.627 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.01 -35.2 79.91 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -156.74 172.66 18.22 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.347 1.459 . . . . 0.0 111.598 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.0 mt -60.77 -43.26 98.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.768 0.827 . . . . 0.0 112.733 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.01 -35.27 80.15 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.528 -0.733 . . . . 0.0 112.298 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.82 90.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.65 0.78 . . . . 0.0 112.627 172.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.53 85.18 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.493 0.588 . . . . 0.0 112.111 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.3 mm -59.04 -49.84 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.844 0.857 . . . . 0.0 110.292 172.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.6 m -59.25 -38.47 80.13 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.76 1.224 . . . . 0.0 112.422 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -61.45 -46.74 88.79 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.121 -0.987 . . . . 0.0 111.794 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.78 -6.33 51.82 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.4 mmt -75.86 -35.34 59.94 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.76 -1.212 . . . . 0.0 110.136 166.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -88.79 -29.02 20.07 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.996 1.318 . . . . 0.0 113.322 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.18 150.46 48.3 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.608 1.563 . . . . 0.0 112.002 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.53 138.66 55.33 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.006 -1.059 . . . . 0.0 111.503 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -79.79 -62.07 1.8 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.745 1.218 . . . . 0.0 110.579 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -144.25 -50.3 0.29 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.515 1.126 . . . . 0.0 111.543 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -111.48 -33.21 6.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.326 1.45 . . . . 0.0 111.658 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.0 t -152.53 175.03 13.19 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.813 1.245 . . . . 0.0 112.706 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.9 p -89.03 164.09 15.23 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.741 1.616 . . . . 0.0 112.381 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.8 mt -70.12 145.44 51.57 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.315 1.046 . . . . 0.0 110.75 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -128.65 -41.02 1.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -153.22 145.31 16.93 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.09 149.93 37.06 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.76 2.307 . . . . 0.0 111.709 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.9 tp -73.64 144.86 45.73 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 166.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -74.57 132.98 42.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.862 0.865 . . . . 0.0 111.459 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.191 1.796 . . . . 0.0 112.389 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 32.2 m -67.26 154.53 41.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.569 1.148 . . . . 0.0 113.125 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 61.6 p -73.04 -15.56 61.51 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.803 1.241 . . . . 0.0 114.294 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -167.37 167.66 40.03 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.801 1.667 . . . . 0.0 112.461 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 43.1 m -72.28 145.45 47.88 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.248 1.019 . . . . 0.0 112.853 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 82.5 p -80.47 -21.3 42.18 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.518 1.127 . . . . 0.0 113.958 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 75.6 6.59 81.57 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.949 1.261 . . . . 0.0 115.062 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -66.44 -18.0 65.11 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.103 1.451 . . . . 0.0 114.847 -173.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.32 7.75 45.24 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.572 1.549 . . . . 0.0 114.175 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -140.82 138.57 34.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.341 1.456 . . . . 0.0 111.249 -176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.28 152.23 41.44 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.525 1.53 . . . . 0.0 111.949 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.73 159.94 44.19 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.508 1.523 . . . . 0.0 111.367 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.27 145.94 9.42 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 124.892 1.277 . . . . 0.0 111.905 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -59.76 -30.14 91.32 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.532 2.821 . . . . 0.0 114.413 -168.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -76.43 -9.34 58.57 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.717 1.376 . . . . 0.0 114.717 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -85.19 131.84 34.37 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.642 1.564 . . . . 0.0 112.527 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -122.66 7.92 9.47 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.382 1.473 . . . . 0.0 114.414 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.74 -145.92 46.03 Favored Glycine 0 CA--C 1.539 1.594 0 O-C-N 120.884 -1.135 . . . . 0.0 113.622 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -67.36 39.21 0.17 Allowed 'Trans proline' 0 CA--C 1.549 1.259 1 C-N-CA 125.598 4.199 . . . . 0.0 117.0 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.8 142.18 57.45 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.679 1.192 . . . . 0.0 111.15 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.3 m -96.23 163.71 12.98 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.49 1.116 . . . . 0.0 112.015 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -49.47 -55.72 12.24 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.102 0.961 . . . . 0.0 113.029 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -58.89 -34.37 71.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -72.01 -44.5 63.32 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.064 0.945 . . . . 0.0 112.122 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.3 99.12 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.696 0.798 . . . . 0.0 112.143 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.18 -41.74 94.3 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.657 1.183 . . . . 0.0 112.04 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -63.71 -31.71 72.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.335 0.971 . . . . 0.0 113.403 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.8 m -75.47 -53.79 8.09 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.923 0.783 . . . . 0.0 111.533 172.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -70.72 -24.18 62.6 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.9 tp -70.17 -26.74 64.05 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.133 0.879 . . . . 0.0 112.362 173.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -88.56 -25.29 22.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.006 1.322 . . . . 0.0 112.99 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.6 mmm -79.55 160.82 69.04 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.488 1.515 . . . . 0.0 112.924 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -72.04 163.3 39.21 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.291 2.661 . . . . 0.0 112.331 172.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.79 138.95 55.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.812 1.245 . . . . 0.0 112.509 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 2.13 76.81 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.734 1.159 . . . . 0.0 115.019 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.3 m -77.55 132.27 38.26 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.312 1.056 . . . . 0.0 109.333 169.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -139.38 161.63 36.99 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.6 158.93 44.22 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.973 1.309 . . . . 0.0 111.171 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.91 137.83 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.887 1.275 . . . . 0.0 109.751 172.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -136.26 154.02 51.02 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.239 1.416 . . . . 0.0 111.671 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.97 133.72 55.74 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 169.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 t -67.27 134.61 51.95 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -167.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.02 -6.31 48.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.81 1.644 . . . . 0.0 113.143 170.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 m -80.94 -55.17 4.97 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.922 0.783 . . . . 0.0 111.473 169.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m -154.2 144.46 15.73 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 125.38 1.472 . . . . 0.0 111.722 -175.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.75 148.71 83.21 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.802 2.335 . . . . 0.0 112.069 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.89 -10.99 61.02 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.683 1.135 . . . . 0.0 114.948 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -101.61 162.81 12.63 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.505 1.522 . . . . 0.0 109.586 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -128.39 168.15 15.98 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.315 -0.865 . . . . 0.0 112.499 -175.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -137.49 129.85 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.856 1.263 . . . . 0.0 109.832 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.1 tp -90.63 124.2 34.87 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 126.034 1.734 . . . . 0.0 108.161 170.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 m -114.75 134.08 55.39 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.032 0.933 . . . . 0.0 109.719 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -137.15 140.07 41.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.421 1.089 . . . . 0.0 112.355 -172.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 p -81.69 107.97 14.87 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.666 0.786 . . . . 0.0 109.253 169.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -141.4 147.64 38.32 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.26 1.024 . . . . 0.0 112.72 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 57.05 33.3 23.13 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.233 1.413 . . . . 0.0 113.692 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.75 8.26 67.47 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.503 1.049 . . . . 0.0 114.89 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -130.82 -168.58 2.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.874 2.07 . . . . 0.0 111.068 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.21 136.59 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.627 1.171 . . . . 0.0 109.79 173.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.9 p -126.79 158.69 35.93 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.556 1.543 . . . . 0.0 111.599 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -134.44 140.08 45.99 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.108 1.363 . . . . 0.0 111.599 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -138.98 125.61 20.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.398 1.479 . . . . 0.0 110.826 -173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -78.79 130.07 35.33 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.463 -0.773 . . . . 0.0 111.81 -175.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 mt -104.54 91.31 3.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.306 2.243 . . . . 0.0 107.407 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -85.66 136.42 33.38 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.889 1.275 . . . . 0.0 111.575 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.51 126.91 31.65 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.294 0.638 . . . . 0.0 110.899 173.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -137.8 101.9 4.58 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.328 1.451 . . . . 0.0 109.794 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 53.34 30.83 10.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.787 1.235 . . . . 0.0 113.876 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.64 -6.02 84.08 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 126.141 1.829 . . . . 0.0 115.384 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.22 168.47 11.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.899 1.68 . . . . 0.0 111.657 171.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.4 mm -106.29 117.46 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.786 1.634 . . . . 0.0 110.307 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -102.51 128.9 48.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.827 1.651 . . . . 0.0 109.921 172.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.4 tt -139.31 126.19 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.718 1.207 . . . . 0.0 110.202 175.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t70 54.89 -89.13 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.99 1.716 . . . . 0.0 112.055 -167.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.2 p -125.13 -13.59 6.74 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.549 1.539 . . . . 0.0 113.438 169.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -80.44 139.01 36.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.718 1.607 . . . . 0.0 111.102 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.5 tp -114.23 133.83 55.35 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.317 1.447 . . . . 0.0 111.174 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -133.36 156.34 47.81 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.09 1.756 . . . . 0.0 111.753 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -64.4 -36.66 84.87 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -157.05 173.0 17.68 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.404 1.481 . . . . 0.0 111.867 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -62.06 -43.6 98.48 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.921 0.888 . . . . 0.0 113.131 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.72 -34.67 78.4 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.464 -0.772 . . . . 0.0 112.241 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.04 89.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.87 0.868 . . . . 0.0 112.534 172.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.03 87.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.268 0.627 . . . . 0.0 112.128 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.6 mm -59.56 -50.61 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.993 0.917 . . . . 0.0 110.35 171.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.5 m -58.82 -38.9 79.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.924 1.289 . . . . 0.0 112.385 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -59.61 -45.02 93.17 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.177 -0.952 . . . . 0.0 111.77 173.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -78.99 -5.74 54.61 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.9 mmt -77.59 -37.14 51.08 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.843 -1.161 . . . . 0.0 109.905 166.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -85.97 -28.82 23.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.924 1.29 . . . . 0.0 113.476 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -128.48 146.72 50.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.441 1.496 . . . . 0.0 111.877 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.21 136.28 55.67 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.485 -0.76 . . . . 0.0 111.419 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 tt -78.36 -60.46 2.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.37 1.068 . . . . 0.0 110.96 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.05 -50.13 0.43 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.547 1.139 . . . . 0.0 111.317 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -116.39 -32.34 5.3 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.957 1.703 . . . . 0.0 111.799 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -154.56 175.41 13.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.925 1.29 . . . . 0.0 112.995 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.9 m -84.86 158.01 20.75 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.183 1.393 . . . . 0.0 112.048 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.38 146.57 50.94 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.644 1.177 . . . . 0.0 110.907 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -131.95 -41.29 1.03 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -153.8 143.67 15.34 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.58 142.93 41.23 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.615 2.21 . . . . 0.0 110.899 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.83 140.4 58.26 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.584 -0.697 . . . . 0.0 109.822 168.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -84.96 156.88 20.98 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.415 0.686 . . . . 0.0 112.562 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.104 1.762 . . . . 0.0 111.993 -179.338 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 78.5 p -80.92 177.39 9.08 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.761 1.224 . . . . 0.0 112.783 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 70.3 m -75.19 -5.62 45.36 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 173.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 72.09 6.91 65.61 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.901 1.238 . . . . 0.0 115.631 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 51.5 p -78.99 -17.3 55.64 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.371 1.468 . . . . 0.0 114.421 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 68.5 m -136.82 146.61 45.86 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.992 1.717 . . . . 0.0 111.543 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 157.79 175.06 28.29 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.124 1.345 . . . . 0.0 112.763 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.0 mtm -63.48 -29.13 70.45 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.688 -0.89 . . . . 0.0 112.903 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.0 -10.92 59.83 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.509 1.123 . . . . 0.0 114.023 174.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -97.38 -3.9 39.43 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.211 1.405 . . . . 0.0 113.239 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.12 154.81 40.21 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.896 1.279 . . . . 0.0 112.82 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.81 162.92 35.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.481 1.512 . . . . 0.0 112.101 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.47 148.76 97.87 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 124.124 0.969 . . . . 0.0 112.278 176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -63.5 -25.36 70.23 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 122.612 2.208 . . . . 0.0 112.985 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 -90.58 -9.26 47.75 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.664 1.586 . . . . 0.0 114.933 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -89.47 117.62 28.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.513 1.506 . . . . 0.0 112.563 -175.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -105.18 0.59 27.47 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.811 1.645 . . . . 0.0 113.978 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.25 -132.87 33.33 Favored Glycine 0 CA--C 1.537 1.417 0 CA-C-O 118.286 -1.285 . . . . 0.0 113.542 175.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -76.78 44.68 1.48 Allowed 'Trans proline' 0 CA--C 1.547 1.134 0 C-N-CA 124.757 3.638 . . . . 0.0 113.966 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.45 143.44 44.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.877 1.271 . . . . 0.0 110.616 173.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.6 m -96.19 162.27 13.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.747 1.219 . . . . 0.0 111.792 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -50.2 -52.97 31.25 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.816 0.846 . . . . 0.0 112.776 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 m -58.61 -34.54 71.24 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -175.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -74.07 -41.97 60.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.424 1.09 . . . . 0.0 112.451 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.61 98.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.591 0.756 . . . . 0.0 111.775 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.91 -44.4 80.82 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.897 1.279 . . . . 0.0 111.884 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -63.78 -28.8 70.12 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.108 0.867 . . . . 0.0 113.12 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 m -76.09 -53.68 7.96 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.34 0.656 . . . . 0.0 111.639 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 mp -74.06 -23.49 59.38 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 tp -70.7 -26.96 63.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.338 0.972 . . . . 0.0 112.408 172.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -86.85 -26.72 23.88 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.811 1.244 . . . . 0.0 112.953 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mmm -77.7 160.74 73.9 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.158 1.383 . . . . 0.0 112.767 174.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -70.97 164.43 35.76 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.154 2.569 . . . . 0.0 112.289 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.41 141.1 48.5 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.197 1.399 . . . . 0.0 112.64 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.85 2.88 86.16 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.159 1.361 . . . . 0.0 115.22 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -77.15 130.14 36.92 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.355 1.078 . . . . 0.0 109.974 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -135.04 161.77 34.37 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.58 160.63 42.43 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.295 1.438 . . . . 0.0 111.006 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.6 t -123.31 137.37 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.752 1.221 . . . . 0.0 109.796 171.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.0 ptt85 -136.88 160.39 39.03 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.94 1.296 . . . . 0.0 112.031 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.14 134.71 56.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.254 1.021 . . . . 0.0 110.556 169.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.0 t -77.43 132.41 38.46 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -169.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.3 m -59.16 121.86 12.37 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.47 1.508 . . . . 0.0 111.175 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m 53.84 22.34 3.22 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -133.44 81.31 55.27 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 125.302 1.441 . . . . 0.0 110.961 -175.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -58.66 133.54 54.9 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.303 2.668 . . . . 0.0 113.56 -174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.05 -1.56 63.28 Favored Glycine 0 CA--C 1.54 1.636 0 C-N-CA 124.671 1.129 . . . . 0.0 115.59 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -101.99 163.18 12.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.861 1.33 . . . . 0.0 111.449 174.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -126.77 169.92 12.7 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.175 1.39 . . . . 0.0 112.117 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.3 t -137.19 129.56 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.67 1.188 . . . . 0.0 109.885 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.3 tp -90.36 125.09 35.42 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 125.609 1.563 . . . . 0.0 107.676 169.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 m -115.17 139.03 50.27 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.563 0.745 . . . . 0.0 109.818 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 t -142.86 137.72 29.77 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.785 0.834 . . . . 0.0 111.826 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -76.52 109.27 10.12 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 124.035 0.934 . . . . 0.0 109.084 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -143.34 144.32 32.04 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.9 t30 54.43 39.57 31.11 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.101 1.76 . . . . 0.0 113.687 171.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.22 8.81 75.7 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.525 1.059 . . . . 0.0 115.255 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -135.13 -172.1 2.97 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.855 2.062 . . . . 0.0 111.203 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.9 t -116.28 138.15 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.562 1.145 . . . . 0.0 109.452 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.5 p -123.34 153.49 40.23 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.629 1.572 . . . . 0.0 110.88 -173.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -138.35 139.93 39.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.74 1.216 . . . . 0.0 111.647 -173.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -141.6 124.21 15.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.412 1.485 . . . . 0.0 110.751 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -78.24 135.68 37.63 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.266 -0.897 . . . . 0.0 112.17 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.6 mt -112.76 95.15 5.26 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.589 2.356 . . . . 0.0 107.502 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.1 m -91.14 144.05 26.04 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.396 1.079 . . . . 0.0 112.102 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.65 124.16 28.3 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.794 -0.566 . . . . 0.0 111.243 173.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -136.49 109.51 7.69 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.652 1.581 . . . . 0.0 109.441 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 52.96 30.3 9.14 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.02 1.328 . . . . 0.0 113.796 -171.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.91 -0.03 87.64 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.796 1.665 . . . . 0.0 115.267 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -101.07 167.1 10.45 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.321 1.848 . . . . 0.0 111.258 175.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.3 mm -97.0 108.4 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.165 1.386 . . . . 0.0 110.977 -170.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -96.85 128.64 44.01 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.932 1.693 . . . . 0.0 110.333 175.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 tt -143.86 114.28 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.303 1.041 . . . . 0.0 110.142 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 t0 49.0 -118.09 1.03 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.099 1.359 . . . . 0.0 112.483 -170.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 42.5 p -87.1 -2.51 58.68 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.176 1.391 . . . . 0.0 113.995 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -100.4 145.66 27.94 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.454 1.502 . . . . 0.0 111.547 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.4 tp -128.88 128.54 44.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.634 1.574 . . . . 0.0 109.604 170.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -125.62 153.79 43.26 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.125 1.77 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.53 -36.05 82.66 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -156.14 171.8 19.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.614 1.565 . . . . 0.0 111.627 -174.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.03 -41.98 99.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.85 0.86 . . . . 0.0 112.976 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.4 -36.04 82.4 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.586 -0.696 . . . . 0.0 112.239 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.4 93.88 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.842 0.857 . . . . 0.0 112.58 172.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.57 76.81 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.326 0.651 . . . . 0.0 111.917 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.3 mm -56.91 -49.43 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.144 0.978 . . . . 0.0 110.58 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.6 m -60.87 -42.72 98.46 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.759 1.223 . . . . 0.0 112.116 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -59.71 -43.76 93.99 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.233 -0.917 . . . . 0.0 111.522 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -76.95 -0.01 22.73 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.6 mtt -92.47 -37.75 12.35 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.533 1.133 . . . . 0.0 110.399 166.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.93 -33.66 59.86 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.7 1.2 . . . . 0.0 112.52 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -128.64 153.5 47.22 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.284 1.834 . . . . 0.0 111.457 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.4 140.45 57.17 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.41 -0.806 . . . . 0.0 111.647 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tt -79.25 -62.11 1.8 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.68 1.192 . . . . 0.0 110.506 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.03 -63.32 0.32 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.299 1.439 . . . . 0.0 110.644 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -92.31 -34.07 14.36 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.411 1.084 . . . . 0.0 112.79 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -160.05 -175.49 5.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.001 1.72 . . . . 0.0 111.056 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.4 m -86.62 155.39 20.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.585 1.554 . . . . 0.0 112.04 170.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.98 140.73 58.32 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.654 1.182 . . . . 0.0 110.682 169.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -118.29 -46.68 2.59 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -151.61 144.49 16.96 Favored Pre-proline 0 N--CA 1.475 0.793 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -73.9 140.89 29.36 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.999 2.466 . . . . 0.0 111.54 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.16 141.04 56.55 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.548 0.739 . . . . 0.0 111.009 170.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -94.74 147.83 22.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.59 1.156 . . . . 0.0 111.699 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 . . . . . 0 C--O 1.251 1.151 0 C-N-CA 126.41 1.884 . . . . 0.0 112.713 -179.174 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 77.0 p -148.19 175.46 11.03 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.322 1.449 . . . . 0.0 112.275 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 53.3 p -75.27 -3.04 30.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.088 1.355 . . . . 0.0 114.446 173.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 72.97 -167.38 54.14 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.562 1.077 . . . . 0.0 114.158 -176.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 10.9 t -149.35 160.36 43.48 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.316 1.446 . . . . 0.0 111.731 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.5 t -149.68 159.54 44.26 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.288 1.435 . . . . 0.0 112.095 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -76.78 -175.07 40.76 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.041 1.305 . . . . 0.0 114.54 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.26 158.97 43.25 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.685 1.594 . . . . 0.0 112.437 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.17 20.48 17.35 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.353 1.461 . . . . 0.0 113.66 -174.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -83.44 32.12 0.46 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.429 1.491 . . . . 0.0 114.232 -169.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.8 156.12 28.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.872 1.269 . . . . 0.0 112.555 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.97 -178.91 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.56 1.944 . . . . 0.0 114.893 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.41 148.63 95.54 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.148 0.979 . . . . 0.0 111.992 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -66.21 -23.42 52.45 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.998 2.465 . . . . 0.0 113.644 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -84.72 -7.16 59.32 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.335 1.454 . . . . 0.0 114.315 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -89.58 129.56 36.02 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.617 1.553 . . . . 0.0 112.284 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -122.74 9.89 9.57 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.091 1.356 . . . . 0.0 114.301 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.76 -142.47 43.72 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-O 118.66 -1.078 . . . . 0.0 113.288 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -77.64 54.89 4.97 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.429 3.42 . . . . 0.0 113.23 -176.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.88 136.7 43.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.632 1.173 . . . . 0.0 110.586 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.4 m -82.63 159.94 22.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.783 0.833 . . . . 0.0 112.051 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -50.94 -53.82 29.56 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.589 0.756 . . . . 0.0 112.388 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -58.2 -36.28 72.87 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.23 -43.8 69.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.143 0.977 . . . . 0.0 112.287 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.9 99.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.414 0.686 . . . . 0.0 112.017 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.97 -43.55 78.72 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.728 1.211 . . . . 0.0 112.358 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -65.77 -34.45 78.2 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.366 0.984 . . . . 0.0 112.107 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -67.52 -50.47 58.6 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.029 0.531 . . . . 0.0 111.794 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.68 -22.94 53.29 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -72.45 -28.15 62.75 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.301 0.955 . . . . 0.0 112.248 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -78.54 -33.09 48.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.348 1.059 . . . . 0.0 112.455 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.6 mmm -77.09 161.66 72.5 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.29 1.436 . . . . 0.0 113.103 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.46 164.16 36.43 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.207 2.605 . . . . 0.0 112.651 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -54.53 132.34 44.67 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.486 1.514 . . . . 0.0 112.266 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.41 3.32 65.01 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.413 1.482 . . . . 0.0 114.912 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.7 m -75.67 131.81 40.15 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.794 0.838 . . . . 0.0 109.736 169.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -133.93 161.84 33.67 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -148.24 160.73 42.65 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.975 1.31 . . . . 0.0 111.394 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.82 138.22 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 124.901 1.281 . . . . 0.0 109.988 171.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -138.67 155.3 48.39 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.501 1.52 . . . . 0.0 111.572 -176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.7 135.08 56.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.483 0.713 . . . . 0.0 109.808 169.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.6 t -67.43 127.96 34.63 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 122.184 0.992 . . . . 0.0 113.613 -168.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 p -75.55 -10.01 59.07 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.462 1.505 . . . . 0.0 113.214 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.2 m -91.76 -42.53 10.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.118 0.967 . . . . 0.0 112.898 174.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.0 m -145.87 116.23 4.85 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.207 1.003 . . . . 0.0 112.376 -169.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -56.78 138.26 84.72 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 122.934 2.423 . . . . 0.0 113.164 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.07 -8.85 68.52 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.826 1.203 . . . . 0.0 115.437 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -99.02 165.75 11.59 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.804 1.302 . . . . 0.0 110.906 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -122.82 167.7 13.19 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.493 1.117 . . . . 0.0 111.972 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.27 129.96 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.928 1.291 . . . . 0.0 109.825 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.7 tp -91.03 125.35 35.8 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 126.229 1.812 . . . . 0.0 108.058 169.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -115.15 138.91 50.37 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.919 0.887 . . . . 0.0 109.897 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.5 t -144.43 139.22 28.23 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.884 0.873 . . . . 0.0 112.402 -175.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 p -79.7 100.99 8.15 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.376 1.07 . . . . 0.0 110.494 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -138.56 154.16 48.72 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -177.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 56.65 30.45 17.47 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.46 1.504 . . . . 0.0 113.844 172.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.22 12.31 79.64 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.189 0.899 . . . . 0.0 114.77 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -136.13 -166.65 1.91 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.848 2.459 . . . . 0.0 110.255 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.76 138.77 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.363 1.065 . . . . 0.0 109.312 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.1 p -122.43 154.59 37.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.829 1.652 . . . . 0.0 111.115 -173.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -137.05 140.46 42.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.78 1.232 . . . . 0.0 111.726 -175.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -141.45 128.9 21.27 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.642 1.577 . . . . 0.0 110.476 -174.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -76.63 131.26 38.76 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.206 -0.934 . . . . 0.0 112.408 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 mt -103.92 89.82 3.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.246 2.218 . . . . 0.0 107.256 170.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.9 m -85.26 136.98 33.27 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.668 1.587 . . . . 0.0 111.937 -172.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.14 128.49 33.81 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.53 -0.731 . . . . 0.0 111.329 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -142.48 110.42 5.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.114 1.366 . . . . 0.0 110.141 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.62 32.56 6.95 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.254 1.422 . . . . 0.0 114.748 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.28 -2.64 88.05 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 126.033 1.778 . . . . 0.0 115.354 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.18 167.15 11.05 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.696 1.999 . . . . 0.0 111.792 173.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.7 mm -104.82 116.45 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.967 1.707 . . . . 0.0 110.307 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -98.18 139.38 34.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.582 1.553 . . . . 0.0 110.999 170.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 tt -152.59 129.36 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.979 0.912 . . . . 0.0 111.366 174.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 55.48 -75.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.69 2.396 . . . . 0.0 114.533 -172.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.7 t -140.81 -4.85 1.19 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.491 1.916 . . . . 0.0 112.957 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -96.3 157.28 15.97 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.619 1.968 . . . . 0.0 111.41 -174.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.8 tp -133.1 134.22 43.97 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.639 1.576 . . . . 0.0 110.688 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -135.14 156.37 49.11 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.017 1.727 . . . . 0.0 112.136 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.94 -36.37 83.74 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -156.7 172.83 17.91 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.379 1.472 . . . . 0.0 112.179 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.63 -43.15 99.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.134 0.974 . . . . 0.0 113.167 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.88 -35.02 79.28 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.531 -0.73 . . . . 0.0 112.401 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.87 91.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.826 0.85 . . . . 0.0 112.608 172.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.94 83.98 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.342 0.657 . . . . 0.0 112.164 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.56 -51.06 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.197 0.999 . . . . 0.0 110.484 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -60.07 -42.01 93.63 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.593 1.157 . . . . 0.0 112.172 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -58.0 -43.76 86.84 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.199 -0.938 . . . . 0.0 111.713 173.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -78.19 2.31 18.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.2 mtt -93.5 -35.65 12.83 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.25 1.02 . . . . 0.0 110.247 166.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.33 -28.8 47.37 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.348 1.059 . . . . 0.0 113.237 175.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -131.87 151.76 51.48 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.972 1.709 . . . . 0.0 111.638 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.87 140.2 56.54 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.535 -0.728 . . . . 0.0 111.669 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tt -81.27 -61.82 1.84 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.471 1.108 . . . . 0.0 110.731 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.4 -70.23 0.36 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.246 1.418 . . . . 0.0 110.322 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -90.61 -31.4 16.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.135 0.974 . . . . 0.0 113.135 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 t -158.23 -178.11 7.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.465 1.506 . . . . 0.0 111.578 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.7 m -85.84 157.06 20.31 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.592 1.557 . . . . 0.0 111.89 170.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.6 138.87 58.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.399 1.08 . . . . 0.0 110.647 169.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -114.46 -49.71 2.82 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -152.26 147.4 19.57 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -70.37 150.0 63.85 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.374 2.05 . . . . 0.0 111.175 171.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.9 tp -57.5 130.76 47.76 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.494 -0.754 . . . . 0.0 109.589 169.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -74.15 144.47 44.84 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.326 0.65 . . . . 0.0 112.033 -171.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.178 1.791 . . . . 0.0 112.248 -175.181 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 67.1 p -86.61 -8.31 57.6 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.229 1.412 . . . . 0.0 114.715 -178.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 56.2 p -72.89 163.01 28.79 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.526 1.531 . . . . 0.0 113.509 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -164.13 175.61 40.21 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.921 1.248 . . . . 0.0 113.35 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.6 m -68.42 145.25 54.28 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.512 1.125 . . . . 0.0 113.658 -174.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 78.8 p -144.67 -35.84 0.33 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.131 1.373 . . . . 0.0 113.343 174.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -79.81 8.65 48.78 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 125.286 1.422 . . . . 0.0 115.902 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -10.69 59.69 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.41 145.31 54.23 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.847 0.859 . . . . 0.0 112.063 174.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -151.34 144.85 24.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.035 1.334 . . . . 0.0 111.161 -175.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 59.88 -178.63 0.09 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 127.177 2.191 . . . . 0.0 115.381 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.86 174.08 0.07 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.333 2.253 . . . . 0.0 115.034 -171.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.67 150.27 95.38 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.205 1.002 . . . . 0.0 111.904 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -65.29 -23.01 59.75 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.097 2.532 . . . . 0.0 113.545 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -86.61 -5.93 59.0 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.655 1.582 . . . . 0.0 114.379 174.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -90.57 131.48 36.27 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.605 1.548 . . . . 0.0 112.673 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -124.19 10.75 8.74 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.384 1.474 . . . . 0.0 114.589 -175.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.1 -146.02 45.57 Favored Glycine 0 CA--C 1.539 1.558 0 O-C-N 120.682 -1.261 . . . . 0.0 113.944 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -66.99 37.32 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.207 1 C-N-CA 125.71 4.273 . . . . 0.0 117.095 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 tp -65.05 140.78 58.87 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.986 1.314 . . . . 0.0 110.961 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -93.86 170.61 9.43 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.854 0.862 . . . . 0.0 112.03 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -54.07 -53.82 47.92 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.913 0.885 . . . . 0.0 111.928 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -58.74 -37.18 75.62 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.087 0.555 . . . . 0.0 112.467 -173.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -69.57 -43.63 72.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.105 0.962 . . . . 0.0 112.239 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.71 97.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.535 0.734 . . . . 0.0 112.086 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -64.72 -45.58 85.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.14 1.376 . . . . 0.0 111.763 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.93 -34.12 77.39 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.036 0.835 . . . . 0.0 112.225 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.9 m -69.2 -49.12 59.5 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.081 0.552 . . . . 0.0 112.048 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.96 -23.35 44.63 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.9 tp -70.56 -27.1 63.88 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.482 1.037 . . . . 0.0 112.167 171.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -78.53 -33.04 48.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.504 1.121 . . . . 0.0 112.611 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.4 mmm -78.06 161.73 69.78 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.45 1.5 . . . . 0.0 113.114 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.83 163.57 38.05 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.259 2.639 . . . . 0.0 112.531 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -54.46 132.77 45.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.372 1.469 . . . . 0.0 112.08 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.31 2.24 64.01 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.088 1.328 . . . . 0.0 114.937 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.6 m -75.65 134.23 40.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.835 0.854 . . . . 0.0 109.597 169.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -137.25 162.62 33.02 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -148.26 159.53 43.89 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.074 1.35 . . . . 0.0 111.341 174.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.0 139.72 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 124.776 1.231 . . . . 0.0 109.936 170.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -139.46 154.71 47.8 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.311 1.444 . . . . 0.0 111.718 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.72 133.94 55.56 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 168.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.5 t -66.22 136.93 56.57 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 -167.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -9.13 58.36 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.559 1.544 . . . . 0.0 113.256 170.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 m -78.37 -56.14 4.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.176 0.898 . . . . 0.0 111.467 169.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.7 m -153.67 142.54 14.55 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 125.843 1.657 . . . . 0.0 111.293 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.47 146.33 79.7 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.693 2.262 . . . . 0.0 112.041 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.56 -17.51 51.9 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.67 1.129 . . . . 0.0 114.547 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -92.69 161.7 14.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.695 1.198 . . . . 0.0 108.738 166.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -126.87 165.96 18.37 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.179 -0.951 . . . . 0.0 112.681 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -137.47 130.33 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.977 1.311 . . . . 0.0 109.818 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.8 tp -92.16 124.23 36.09 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 126.076 1.75 . . . . 0.0 108.142 170.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -116.18 135.78 53.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.88 0.872 . . . . 0.0 109.972 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.0 m -137.99 141.64 40.45 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.32 1.048 . . . . 0.0 112.509 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.0 p -82.61 101.98 11.14 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.093 0.957 . . . . 0.0 110.027 172.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -139.93 151.86 45.92 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 56.57 30.68 17.72 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.194 1.398 . . . . 0.0 113.84 170.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.41 12.5 80.08 Favored Glycine 0 CA--C 1.54 1.641 0 C-N-CA 124.391 0.996 . . . . 0.0 114.913 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -137.46 -167.28 2.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.722 2.409 . . . . 0.0 110.512 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.61 135.61 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.399 1.08 . . . . 0.0 109.469 170.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.0 p -121.84 158.98 27.72 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.42 1.488 . . . . 0.0 111.53 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -133.91 141.14 47.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.155 1.382 . . . . 0.0 111.307 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -138.34 126.92 23.41 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.576 1.55 . . . . 0.0 110.73 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -74.53 127.95 34.35 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.534 -0.729 . . . . 0.0 111.869 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.3 mt -105.61 80.44 1.56 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.038 2.135 . . . . 0.0 107.231 169.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.9 m -78.71 141.43 37.91 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.102 1.361 . . . . 0.0 111.816 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.16 129.22 34.23 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.773 -0.579 . . . . 0.0 111.34 174.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -141.51 112.09 7.07 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.442 1.497 . . . . 0.0 109.754 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 52.35 31.16 9.06 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.028 1.331 . . . . 0.0 114.429 -176.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.21 2.02 90.5 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.685 1.612 . . . . 0.0 115.196 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -109.15 174.43 5.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.118 2.167 . . . . 0.0 111.117 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.4 mm -105.6 119.97 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.114 1.366 . . . . 0.0 111.19 -171.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -105.29 128.36 53.42 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.874 1.669 . . . . 0.0 109.909 171.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.3 tt -139.18 122.08 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.166 1.386 . . . . 0.0 109.508 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.4 t70 51.88 -113.97 0.78 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.32 1.048 . . . . 0.0 110.367 -167.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.3 p -93.66 -18.59 21.98 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.654 1.116 . . . . 0.0 113.904 171.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -79.41 134.95 36.57 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.37 1.468 . . . . 0.0 111.778 -170.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.9 tp -108.62 132.96 53.37 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.837 1.255 . . . . 0.0 110.48 169.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -130.25 153.81 48.23 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 126.662 1.985 . . . . 0.0 110.846 177.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -65.31 -36.25 83.48 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -156.4 172.48 18.44 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.545 1.538 . . . . 0.0 111.617 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.21 -42.4 99.27 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.735 0.814 . . . . 0.0 113.087 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.27 -35.52 81.11 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.623 -0.673 . . . . 0.0 112.196 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.28 93.36 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.71 0.804 . . . . 0.0 112.642 172.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.37 80.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.239 0.615 . . . . 0.0 112.085 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -58.27 -49.13 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.893 0.877 . . . . 0.0 110.548 173.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.7 m -60.02 -40.6 89.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.683 1.193 . . . . 0.0 112.184 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.96 -45.3 95.31 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.183 -0.948 . . . . 0.0 111.599 173.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -77.27 -4.87 47.11 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 177.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.9 mmt -80.23 -38.19 31.55 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.849 -1.157 . . . . 0.0 110.06 166.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.37 -29.06 26.55 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.894 1.278 . . . . 0.0 113.481 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -128.51 155.17 45.28 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.95 1.7 . . . . 0.0 111.715 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.25 138.99 52.1 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.086 -1.009 . . . . 0.0 111.675 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 tt -80.35 -61.13 2.07 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.799 1.24 . . . . 0.0 110.468 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -146.32 -62.72 0.31 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.322 1.449 . . . . 0.0 110.609 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -92.61 -34.92 13.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.336 1.054 . . . . 0.0 112.878 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -158.42 -176.86 6.14 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.693 1.597 . . . . 0.0 111.016 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 p -89.82 161.07 16.18 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.771 1.628 . . . . 0.0 112.228 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.87 146.26 55.16 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.837 1.255 . . . . 0.0 111.21 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -121.51 -48.53 2.17 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -153.39 146.99 18.24 Favored Pre-proline 0 CA--C 1.544 0.732 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.65 147.6 57.48 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.599 2.2 . . . . 0.0 111.082 171.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.9 tp -57.57 134.02 55.77 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.691 -0.631 . . . . 0.0 110.554 169.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -82.66 152.32 25.9 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.179 0.992 . . . . 0.0 112.007 -177.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.841 1.656 . . . . 0.0 112.571 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 59.8 p -148.38 175.72 10.87 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.283 1.433 . . . . 0.0 112.211 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.1 m -72.46 -3.6 25.29 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.724 1.21 . . . . 0.0 114.258 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 75.14 13.2 82.94 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.455 1.026 . . . . 0.0 114.542 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 80.9 p -147.69 163.99 34.93 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.584 1.954 . . . . 0.0 111.813 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 78.2 p -150.03 167.43 26.78 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.581 1.153 . . . . 0.0 112.596 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -71.48 0.65 32.74 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 124.513 1.054 . . . . 0.0 115.224 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt -76.01 -20.29 57.95 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.826 1.313 . . . . 0.0 113.268 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.25 136.21 36.99 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.252 1.021 . . . . 0.0 112.258 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.93 -0.1 2.34 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.912 1.285 . . . . 0.0 113.417 -176.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.98 -152.87 0.3 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.834 1.654 . . . . 0.0 113.298 -172.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.79 166.88 14.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.703 1.201 . . . . 0.0 113.405 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.01 147.27 45.33 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.328 1.051 . . . . 0.0 112.146 174.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -64.01 -25.86 66.35 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.199 2.6 . . . . 0.0 113.917 -169.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -78.25 -10.04 59.48 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.896 1.278 . . . . 0.0 114.296 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -92.86 128.37 38.7 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 120.563 1.529 . . . . 0.0 112.612 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -119.46 1.82 11.22 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.192 1.397 . . . . 0.0 114.581 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.78 -133.92 37.74 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.739 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -77.8 49.94 3.1 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 124.551 3.5 . . . . 0.0 113.815 -173.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 tp -73.42 152.07 40.93 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.873 1.269 . . . . 0.0 110.776 171.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.4 m -103.56 161.87 13.52 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.958 1.303 . . . . 0.0 112.039 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -54.67 -45.77 73.94 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.55 -0.718 . . . . 0.0 112.459 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 m -58.93 -38.43 78.96 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.786 0.834 . . . . 0.0 112.548 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.49 -41.11 69.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.913 0.885 . . . . 0.0 111.964 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.2 98.48 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.229 0.612 . . . . 0.0 112.134 174.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.96 -49.89 74.29 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.885 1.274 . . . . 0.0 111.735 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -65.19 -29.71 70.55 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.547 0.612 . . . . 0.0 112.511 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.3 m -74.3 -47.62 33.55 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.26 0.624 . . . . 0.0 112.506 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -81.22 -25.82 36.39 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -66.0 -24.13 66.71 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.644 1.111 . . . . 0.0 112.182 173.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -80.14 -20.56 44.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.176 1.39 . . . . 0.0 113.12 172.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.2 mmm -98.32 160.41 28.26 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 125.843 1.657 . . . . 0.0 113.088 -174.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -72.01 160.29 47.94 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.174 2.583 . . . . 0.0 112.263 174.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -57.0 134.08 55.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.202 1.401 . . . . 0.0 112.866 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.73 2.58 67.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.658 1.123 . . . . 0.0 114.951 -174.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.3 m -77.39 128.48 34.33 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.517 1.159 . . . . 0.0 109.199 168.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -135.93 162.08 33.85 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 pp -145.67 161.26 40.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.208 1.403 . . . . 0.0 111.314 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.06 139.46 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.221 1.408 . . . . 0.0 109.568 171.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 ptt85 -137.27 160.83 37.9 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.091 1.356 . . . . 0.0 111.805 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.58 133.92 53.28 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.501 1.12 . . . . 0.0 110.241 169.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 t -74.63 135.16 41.98 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -169.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -60.33 116.46 4.29 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.101 1.36 . . . . 0.0 111.134 -175.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m 53.57 25.54 4.94 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.103 1.52 . . . . 0.0 115.103 -177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -136.15 68.81 63.14 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 125.309 1.443 . . . . 0.0 109.965 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -63.07 139.68 74.38 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 123.2 2.6 . . . . 0.0 112.456 -170.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 -12.24 56.93 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 124.847 1.213 . . . . 0.0 114.666 -173.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -96.65 158.23 15.53 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.785 1.293 . . . . 0.0 110.646 169.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -122.85 171.07 9.47 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.192 0.997 . . . . 0.0 111.397 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.0 t -134.66 126.29 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.253 1.021 . . . . 0.0 109.671 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.5 tp -87.03 123.22 31.89 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.282 1.433 . . . . 0.0 107.7 169.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -115.17 136.24 53.32 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.515 0.726 . . . . 0.0 109.893 172.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.5 t -139.52 144.12 37.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.944 0.898 . . . . 0.0 112.052 -174.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.4 p -78.59 114.14 17.24 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.256 -0.903 . . . . 0.0 108.873 170.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -142.02 136.29 30.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.437 1.095 . . . . 0.0 112.4 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 t30 52.64 37.53 23.64 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.055 1.742 . . . . 0.0 114.01 173.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 8.43 74.73 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.24 0.924 . . . . 0.0 115.376 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -130.39 -170.3 2.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.328 2.251 . . . . 0.0 110.692 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -122.54 134.31 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.341 1.057 . . . . 0.0 110.245 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.7 p -113.26 159.47 19.31 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.462 1.905 . . . . 0.0 111.46 -177.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -140.92 136.92 32.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.195 1.398 . . . . 0.0 111.054 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -140.35 128.0 21.65 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.191 1.396 . . . . 0.0 111.412 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.53 134.82 48.05 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.935 0.789 . . . . 0.0 112.223 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.08 81.07 1.44 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.946 2.498 . . . . 0.0 105.829 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.6 m -77.77 139.92 39.4 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 124.958 1.303 . . . . 0.0 111.623 -172.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.5 127.94 32.87 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.106 0.563 . . . . 0.0 111.293 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -139.8 106.78 5.43 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.682 1.593 . . . . 0.0 109.55 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 51.88 31.5 8.49 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.917 1.287 . . . . 0.0 114.222 -174.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.01 -0.87 89.32 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.749 1.643 . . . . 0.0 115.33 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -103.03 172.61 6.72 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.667 1.987 . . . . 0.0 111.237 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.4 mm -107.96 118.63 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.072 1.349 . . . . 0.0 111.368 -169.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -104.99 127.92 53.06 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.023 1.729 . . . . 0.0 110.159 173.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.5 tt -139.21 127.33 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.768 1.227 . . . . 0.0 110.687 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 55.88 -83.43 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.381 1.873 . . . . 0.0 112.35 -168.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.5 p -134.37 -12.27 2.42 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.734 2.013 . . . . 0.0 113.009 171.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -81.51 136.99 35.63 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.706 1.602 . . . . 0.0 110.972 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.0 tp -106.94 133.21 51.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.717 1.207 . . . . 0.0 110.882 171.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.39 153.25 48.92 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 126.469 1.908 . . . . 0.0 111.138 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.49 -35.58 81.31 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -155.96 172.52 18.24 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.645 1.578 . . . . 0.0 111.252 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -47.85 84.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.875 0.87 . . . . 0.0 112.159 -177.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -64.12 -32.05 73.47 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.948 0.899 . . . . 0.0 112.753 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.19 86.77 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.57 -0.707 . . . . 0.0 112.578 171.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.59 81.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.123 0.569 . . . . 0.0 112.002 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.2 mm -57.88 -51.67 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-O 121.514 0.673 . . . . 0.0 109.897 171.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.0 m -59.2 -40.7 86.6 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.264 1.426 . . . . 0.0 112.265 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -60.24 -45.08 94.47 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.323 -0.861 . . . . 0.0 111.927 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -80.22 -3.84 50.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.6 mmt -80.37 -38.8 29.7 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.955 -1.091 . . . . 0.0 109.654 166.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -82.1 -29.66 31.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.867 1.267 . . . . 0.0 113.472 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -127.29 152.99 46.72 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.596 1.558 . . . . 0.0 111.803 -177.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -69.43 140.4 54.11 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.009 -1.057 . . . . 0.0 111.442 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.36 -62.89 1.55 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.903 1.281 . . . . 0.0 110.883 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.82 -48.76 0.29 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.605 1.162 . . . . 0.0 111.318 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -112.64 -33.92 5.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.653 1.581 . . . . 0.0 111.558 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -152.94 174.27 14.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.708 1.203 . . . . 0.0 112.906 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.8 p -88.53 159.13 18.07 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.755 1.622 . . . . 0.0 112.824 174.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.9 mt -67.32 143.35 56.44 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.504 1.122 . . . . 0.0 110.111 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -134.1 -38.97 0.86 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -154.58 146.56 17.17 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.58 147.55 57.86 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 122.366 2.044 . . . . 0.0 110.75 169.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.7 tp -58.71 131.89 52.23 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.525 -0.734 . . . . 0.0 109.53 168.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -75.92 140.04 41.91 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.745 -0.597 . . . . 0.0 112.12 -171.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.411 1.484 . . . . 0.0 113.569 -179.274 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 37.5 m -67.0 148.03 52.48 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.346 1.058 . . . . 0.0 113.07 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 60.4 p -82.49 -22.8 34.96 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -72.56 143.07 33.42 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.42 1.01 . . . . 0.0 113.526 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 76.4 p -105.57 -0.63 25.59 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.686 1.595 . . . . 0.0 114.516 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.6 m -64.8 150.58 47.24 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.403 1.481 . . . . 0.0 113.733 -175.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -172.73 166.99 39.78 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.081 1.324 . . . . 0.0 112.888 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.0 mtm -87.71 142.82 27.53 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.341 1.056 . . . . 0.0 112.362 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.93 152.62 32.76 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.497 1.519 . . . . 0.0 111.703 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.14 149.23 26.87 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.665 1.586 . . . . 0.0 111.26 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.79 137.89 16.45 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.177 1.391 . . . . 0.0 111.77 176.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 52.38 -169.02 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.301 1.84 . . . . 0.0 114.552 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.68 147.14 94.34 Favored Pre-proline 0 CA--C 1.549 0.915 0 O-C-N 121.089 -1.007 . . . . 0.0 110.457 169.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.59 -26.83 53.79 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.848 2.365 . . . . 0.0 113.586 -171.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -79.35 -8.25 58.94 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.357 1.463 . . . . 0.0 114.392 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -83.43 133.27 34.93 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.444 1.475 . . . . 0.0 112.012 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -123.8 7.63 8.75 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.475 1.51 . . . . 0.0 114.203 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -147.81 48.72 Favored Glycine 0 CA--C 1.539 1.555 0 O-C-N 120.964 -1.085 . . . . 0.0 113.604 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -68.64 42.58 0.28 Allowed 'Trans proline' 0 CA--C 1.548 1.192 1 C-N-CA 125.459 4.106 . . . . 0.0 116.513 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.32 140.08 58.08 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.681 1.192 . . . . 0.0 110.953 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 m -88.47 161.32 17.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.174 0.989 . . . . 0.0 112.296 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -50.49 -53.9 26.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.857 0.863 . . . . 0.0 112.629 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -58.26 -36.69 73.61 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.12 -43.45 70.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.192 0.997 . . . . 0.0 112.234 174.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.2 99.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.549 0.74 . . . . 0.0 111.946 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.44 -45.19 76.76 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.647 1.179 . . . . 0.0 112.19 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -65.61 -32.38 73.93 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.167 0.894 . . . . 0.0 112.284 176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -69.8 -50.75 40.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.979 0.512 . . . . 0.0 111.97 175.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.21 -24.23 51.35 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -175.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.4 tp -70.6 -27.29 63.99 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.486 1.039 . . . . 0.0 112.261 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -78.19 -32.99 50.34 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.543 1.137 . . . . 0.0 112.475 172.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mmm -78.79 161.3 69.54 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.604 1.562 . . . . 0.0 113.254 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -71.18 160.87 47.7 Favored 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 123.102 2.534 . . . . 0.0 112.236 172.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -57.35 133.43 55.13 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.088 1.355 . . . . 0.0 112.192 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.56 1.94 61.88 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.192 1.377 . . . . 0.0 114.553 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.4 m -76.64 130.03 37.23 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.818 0.847 . . . . 0.0 108.99 168.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -136.39 162.5 32.85 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -176.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -147.29 158.61 44.02 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.08 1.352 . . . . 0.0 110.774 175.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -122.56 136.2 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 124.596 1.158 . . . . 0.0 109.526 171.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -134.9 154.46 51.67 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.995 1.318 . . . . 0.0 111.493 -175.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.75 133.17 51.49 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.335 0.654 . . . . 0.0 109.477 169.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.3 t -67.29 129.09 38.78 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -168.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 p -81.97 -7.22 59.6 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.613 1.565 . . . . 0.0 112.724 169.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -105.91 -29.38 10.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.912 1.285 . . . . 0.0 113.852 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 m -147.23 125.65 6.14 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.175 0.99 . . . . 0.0 112.153 -176.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -58.01 137.85 82.99 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.803 2.335 . . . . 0.0 113.407 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.77 -2.94 62.1 Favored Glycine 0 CA--C 1.54 1.656 0 N-CA-C 116.308 1.283 . . . . 0.0 116.308 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -100.33 164.99 11.68 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.117 1.459 . . . . 0.0 112.173 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -114.68 169.63 8.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.865 1.266 . . . . 0.0 111.401 173.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.63 129.97 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.85 1.26 . . . . 0.0 110.002 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.7 tp -89.43 124.99 34.98 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 125.977 1.711 . . . . 0.0 108.071 169.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -114.96 136.6 52.94 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.631 0.772 . . . . 0.0 109.749 171.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 19.3 t -139.84 142.8 36.58 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.018 0.927 . . . . 0.0 111.887 -174.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.3 p -79.99 111.63 16.51 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 122.046 0.927 . . . . 0.0 109.369 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -134.57 133.0 39.77 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.313 1.045 . . . . 0.0 112.84 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 52.42 37.35 22.42 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.526 1.53 . . . . 0.0 113.731 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.58 7.06 82.7 Favored Glycine 0 CA--C 1.54 1.595 0 N-CA-C 115.582 0.993 . . . . 0.0 115.582 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 -170.02 2.24 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.881 2.073 . . . . 0.0 110.909 174.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.03 136.49 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.986 0.914 . . . . 0.0 110.953 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -117.18 158.19 24.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.543 1.937 . . . . 0.0 111.416 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -138.66 136.96 36.41 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.014 1.326 . . . . 0.0 111.285 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -139.24 129.6 25.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.643 1.577 . . . . 0.0 111.144 -175.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -70.24 137.65 51.0 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.25 -0.906 . . . . 0.0 112.502 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.4 mt -111.64 81.12 1.4 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.474 2.31 . . . . 0.0 105.962 168.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.3 m -80.2 143.07 34.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.897 1.279 . . . . 0.0 112.131 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.17 129.48 35.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.435 0.694 . . . . 0.0 112.111 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -133.64 105.51 6.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.413 1.485 . . . . 0.0 109.785 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 51.68 31.89 8.54 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.993 1.317 . . . . 0.0 114.075 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.56 -9.13 78.2 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.983 1.754 . . . . 0.0 115.375 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -85.1 162.08 19.42 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.274 1.43 . . . . 0.0 111.495 170.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.9 mm -109.98 119.58 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.851 1.66 . . . . 0.0 110.652 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -103.22 129.23 50.11 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.306 1.842 . . . . 0.0 110.235 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.3 tt -139.49 129.77 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.301 1.04 . . . . 0.0 110.827 172.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.43 -85.46 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.411 1.884 . . . . 0.0 112.336 -168.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -131.27 -11.5 3.63 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.49 1.916 . . . . 0.0 112.867 171.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -86.85 139.58 30.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.919 2.087 . . . . 0.0 111.18 -171.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.7 tp -115.29 135.75 53.83 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.082 1.353 . . . . 0.0 111.723 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -134.25 156.99 47.43 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.362 1.865 . . . . 0.0 111.931 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.05 -34.9 79.53 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -156.85 171.94 19.52 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.194 1.397 . . . . 0.0 112.557 -172.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.07 -41.51 99.45 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.192 0.997 . . . . 0.0 113.227 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.42 -35.08 79.75 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.428 -0.795 . . . . 0.0 112.38 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.2 90.12 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.807 0.843 . . . . 0.0 112.489 171.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.7 80.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.494 0.718 . . . . 0.0 112.738 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.81 -51.39 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.32 1.048 . . . . 0.0 110.189 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.2 m -57.44 -37.5 72.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.855 1.262 . . . . 0.0 112.964 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.58 -44.77 73.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.867 0.867 . . . . 0.0 112.304 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -87.38 1.39 53.49 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.9 mmt -83.63 -34.6 25.03 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.032 -1.042 . . . . 0.0 109.916 166.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.86 -33.46 62.1 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.925 1.29 . . . . 0.0 112.862 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -145.22 168.58 20.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.875 1.27 . . . . 0.0 112.607 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -63.64 146.19 54.26 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.178 0.991 . . . . 0.0 112.516 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 tt -84.36 -61.39 1.82 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.712 1.605 . . . . 0.0 110.672 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -141.31 -50.97 0.43 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.733 1.213 . . . . 0.0 111.112 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.21 -36.38 5.61 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.834 1.653 . . . . 0.0 111.449 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -150.58 169.96 20.29 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.692 1.197 . . . . 0.0 112.702 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.3 p -87.92 164.84 15.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.212 1.405 . . . . 0.0 112.549 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.5 mt -71.62 136.37 47.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.479 0.712 . . . . 0.0 109.359 169.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -125.76 -42.5 1.91 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.963 0.905 . . . . 0.0 112.988 -176.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -153.48 145.19 16.68 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 123.608 0.763 . . . . 0.0 113.009 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -69.71 152.2 69.5 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.439 2.092 . . . . 0.0 110.735 169.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.6 tp -69.34 150.32 47.45 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.814 0.846 . . . . 0.0 111.346 169.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -88.89 145.44 25.55 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.326 1.45 . . . . 0.0 111.437 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.352 1.461 . . . . 0.0 112.212 178.321 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 58.4 p -69.18 -21.96 63.94 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.157 0.983 . . . . 0.0 113.134 171.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 9.3 t -135.82 170.74 15.51 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.001 2.12 . . . . 0.0 110.518 169.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 179.12 -172.11 44.19 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.157 1.361 . . . . 0.0 113.534 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.0 m 58.08 28.99 17.16 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.7 m -133.94 152.63 51.92 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.962 1.705 . . . . 0.0 111.915 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 179.42 -172.7 44.65 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.887 1.232 . . . . 0.0 113.117 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 mmt -73.02 146.59 45.81 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.908 0.883 . . . . 0.0 112.194 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.18 159.49 14.88 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.039 1.336 . . . . 0.0 113.135 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -129.6 9.13 5.46 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.369 1.468 . . . . 0.0 114.134 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.31 167.75 19.87 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.203 1.401 . . . . 0.0 113.661 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 163.06 17.73 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.564 1.146 . . . . 0.0 112.694 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.75 143.02 22.81 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.15 1.38 . . . . 0.0 112.727 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -60.08 -29.84 90.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.904 3.07 . . . . 0.0 114.797 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -71.65 -12.64 61.44 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -83.36 121.64 27.42 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.472 1.487 . . . . 0.0 111.7 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -114.36 0.81 14.23 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.262 1.425 . . . . 0.0 113.693 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.48 -129.59 42.7 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-O 118.378 -1.234 . . . . 0.0 113.359 174.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -77.14 49.74 2.91 Favored 'Trans proline' 0 CA--C 1.548 1.192 0 C-N-CA 124.475 3.45 . . . . 0.0 113.752 -173.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 tp -74.84 148.28 40.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.966 1.306 . . . . 0.0 109.817 172.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 p -84.7 163.11 19.4 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.195 -0.941 . . . . 0.0 112.038 170.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -61.3 -41.22 96.62 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.481 -0.762 . . . . 0.0 111.18 170.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.6 m -61.09 -42.25 98.15 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.528 1.131 . . . . 0.0 112.12 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -69.12 -38.6 78.96 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.558 -0.714 . . . . 0.0 112.105 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.56 98.51 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.151 0.58 . . . . 0.0 111.934 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.47 -46.91 86.35 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.657 0.783 . . . . 0.0 112.137 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.64 -31.14 72.0 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.677 -0.639 . . . . 0.0 112.54 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -71.36 -46.72 59.77 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.354 0.662 . . . . 0.0 112.068 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.91 -26.82 33.77 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -174.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.83 -24.64 67.87 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.289 0.949 . . . . 0.0 112.381 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -88.15 -11.69 46.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.512 1.525 . . . . 0.0 113.864 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.1 mmm -101.71 160.98 24.93 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.604 1.562 . . . . 0.0 113.593 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -65.71 164.97 24.69 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.597 2.864 . . . . 0.0 112.794 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.55 139.89 58.81 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.576 1.15 . . . . 0.0 112.671 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' HA3' ' HE2' ' A' ' 92' ' ' LYS . . . 78.23 14.25 82.43 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.923 1.725 . . . . 0.0 114.979 -173.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.4 m -75.18 130.53 39.33 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.62 1.21 . . . . 0.0 109.405 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -134.81 159.31 41.78 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -175.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.93 157.96 43.88 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.531 1.533 . . . . 0.0 111.077 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.14 138.24 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.182 1.393 . . . . 0.0 109.751 172.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -147.19 164.89 31.71 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.145 1.378 . . . . 0.0 111.968 -170.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.44 139.08 58.27 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.13 1.372 . . . . 0.0 111.916 173.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -76.72 147.56 37.3 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.0 p -72.6 148.88 44.46 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.114 0.965 . . . . 0.0 110.646 168.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m 60.29 -19.52 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 174.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.9 m -133.32 102.18 13.07 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.183 1.393 . . . . 0.0 111.652 -174.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -58.94 149.54 78.33 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.528 2.819 . . . . 0.0 113.311 175.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.54 -15.76 17.41 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.855 1.216 . . . . 0.0 115.42 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -85.15 160.54 19.91 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.831 1.315 . . . . 0.0 111.367 169.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -124.4 169.67 11.6 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.05 1.34 . . . . 0.0 111.744 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.2 t -134.48 128.4 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.534 1.534 . . . . 0.0 109.445 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -91.47 129.49 37.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 125.935 1.694 . . . . 0.0 107.497 169.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -120.07 138.85 53.3 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.761 172.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.9 p -143.2 146.41 33.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.5 p -80.6 102.97 10.13 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 124.906 1.282 . . . . 0.0 109.544 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -141.01 149.01 41.19 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.5 t30 51.9 38.88 24.69 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.253 1.821 . . . . 0.0 113.377 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.26 9.67 72.89 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.575 1.083 . . . . 0.0 115.602 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -133.53 -173.1 3.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.907 2.083 . . . . 0.0 111.203 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.06 138.96 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.587 1.155 . . . . 0.0 109.367 169.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.5 p -129.21 156.46 43.92 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.359 1.464 . . . . 0.0 111.158 -173.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -134.8 144.88 47.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.914 1.286 . . . . 0.0 111.975 -175.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -142.57 133.62 25.85 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.895 1.678 . . . . 0.0 110.778 -175.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -75.19 129.89 38.25 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.246 -0.909 . . . . 0.0 112.145 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.0 mt -108.89 78.09 1.12 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.549 1.94 . . . . 0.0 106.798 168.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.4 m -77.17 142.34 39.7 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.814 1.245 . . . . 0.0 111.877 -173.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.58 128.73 34.59 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.237 0.615 . . . . 0.0 111.359 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -140.87 110.09 6.22 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.465 1.506 . . . . 0.0 109.796 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 51.89 31.36 8.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.047 1.339 . . . . 0.0 114.264 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.21 1.21 90.47 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.669 1.604 . . . . 0.0 115.292 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -107.82 173.79 6.17 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.871 2.068 . . . . 0.0 111.19 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.8 mm -105.83 120.49 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.099 1.36 . . . . 0.0 111.323 -170.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -106.91 128.02 53.95 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.919 1.688 . . . . 0.0 110.003 172.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.4 tt -139.33 126.53 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.865 1.266 . . . . 0.0 110.405 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.7 t70 54.6 -91.28 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.884 1.674 . . . . 0.0 111.913 -167.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.5 p -123.0 -12.71 7.94 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.467 1.507 . . . . 0.0 113.399 169.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -81.56 136.44 35.58 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.665 1.586 . . . . 0.0 111.204 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.1 tp -106.77 133.91 50.71 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.754 1.222 . . . . 0.0 110.832 171.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -131.89 154.04 49.62 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.61 1.964 . . . . 0.0 111.022 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.57 -36.09 82.76 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -155.9 171.91 19.27 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.392 1.477 . . . . 0.0 111.795 -173.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 mt -62.21 -42.97 99.79 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.89 0.876 . . . . 0.0 113.0 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -63.42 -36.51 83.97 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.608 -0.683 . . . . 0.0 112.252 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.59 93.89 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.785 0.834 . . . . 0.0 112.635 172.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.61 82.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.284 0.634 . . . . 0.0 112.082 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.37 -49.32 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.014 0.926 . . . . 0.0 110.498 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.5 m -60.98 -41.88 97.29 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.691 1.196 . . . . 0.0 112.189 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -58.84 -44.08 90.86 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.301 -0.875 . . . . 0.0 111.44 174.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -78.12 5.02 10.98 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 175.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.5 mtt -96.31 -38.54 10.04 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.538 1.135 . . . . 0.0 109.977 166.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.83 -28.8 60.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.476 1.11 . . . . 0.0 113.041 175.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -130.09 160.07 34.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.456 1.903 . . . . 0.0 111.424 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.14 144.19 44.97 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.014 -1.054 . . . . 0.0 111.709 175.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tt -83.24 -62.64 1.54 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.519 1.128 . . . . 0.0 110.481 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -143.37 -65.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.128 1.371 . . . . 0.0 110.644 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -91.57 -33.81 14.99 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.393 1.077 . . . . 0.0 112.745 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.2 t -159.16 -174.24 4.62 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.524 1.929 . . . . 0.0 110.045 174.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -85.64 164.84 17.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.637 1.575 . . . . 0.0 112.497 169.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 71.1 mt -69.02 131.56 45.24 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.109 1.364 . . . . 0.0 109.41 169.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.43 ' HE2' ' HA3' ' A' ' 28' ' ' GLY . 36.0 mtmm -121.66 -34.06 3.48 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -171.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -153.38 144.11 15.89 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-N 119.484 1.038 . . . . 0.0 113.015 170.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.46 148.57 43.07 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.306 2.004 . . . . 0.0 111.376 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.94 144.66 57.14 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.33 0.652 . . . . 0.0 110.7 169.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -87.87 147.44 25.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.225 1.01 . . . . 0.0 112.105 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 125.149 1.38 . . . . 0.0 112.033 173.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.664 -0.574 . . . . 0.0 111.664 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 35.9 m -61.85 144.23 55.18 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.415 1.086 . . . . 0.0 112.699 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.1 m 54.3 32.32 16.04 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.321 1.448 . . . . 0.0 114.499 -178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -72.39 -6.0 64.53 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 124.928 1.251 . . . . 0.0 115.884 -176.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 78.1 p -143.73 168.29 20.26 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.632 1.573 . . . . 0.0 112.189 177.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.0 m -79.99 16.07 1.3 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.213 1.405 . . . . 0.0 114.308 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 78.04 21.36 71.06 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.151 -0.968 . . . . 0.0 114.625 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -64.74 141.0 58.92 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.835 1.254 . . . . 0.0 111.91 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.6 153.44 44.79 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.303 1.441 . . . . 0.0 111.647 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.04 39.19 0.75 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.359 1.464 . . . . 0.0 112.796 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.72 170.08 17.23 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.547 1.539 . . . . 0.0 113.603 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.91 172.62 4.25 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.663 1.185 . . . . 0.0 112.634 171.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 148.02 8.17 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.591 1.157 . . . . 0.0 113.407 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.85 -21.22 57.94 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.92 2.413 . . . . 0.0 113.353 -175.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -96.03 -5.18 41.64 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.364 1.866 . . . . 0.0 114.609 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -90.79 131.35 36.51 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.324 1.42 . . . . 0.0 112.487 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -118.54 -1.41 11.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.639 1.576 . . . . 0.0 114.32 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.01 -146.18 47.67 Favored Glycine 0 CA--C 1.54 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 113.234 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -68.69 52.21 0.67 Allowed 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 125.29 3.993 . . . . 0.0 116.072 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 tp -70.98 149.6 46.49 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.962 -1.086 . . . . 0.0 110.173 172.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.7 m -89.89 156.14 18.66 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.691 0.796 . . . . 0.0 111.439 171.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -52.65 -48.51 66.38 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.714 -0.616 . . . . 0.0 112.411 174.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.6 m -56.34 -37.75 70.42 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.591 0.757 . . . . 0.0 112.528 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.5 -38.33 65.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.087 0.955 . . . . 0.0 112.622 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.21 96.76 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.385 0.674 . . . . 0.0 111.817 172.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.92 -46.99 76.23 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.54 1.136 . . . . 0.0 111.986 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -69.67 -12.71 61.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -85.52 -54.72 4.39 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.138 0.881 . . . . 0.0 111.369 169.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.94 -26.14 61.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -174.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.26 -24.82 67.42 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.459 1.027 . . . . 0.0 112.598 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -90.77 -13.45 33.93 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.222 1.409 . . . . 0.0 113.747 173.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 94.5 mmm -92.39 159.73 36.38 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.241 1.416 . . . . 0.0 112.535 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.47 161.55 45.62 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 122.988 2.459 . . . . 0.0 111.887 173.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -56.63 138.27 52.67 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.565 1.146 . . . . 0.0 112.555 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.84 3.89 79.67 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.67 1.129 . . . . 0.0 114.981 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.5 m -74.8 129.52 37.83 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.42 1.11 . . . . 0.0 108.83 168.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -136.55 161.17 36.63 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.64 155.69 42.64 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.996 1.318 . . . . 0.0 111.109 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.01 138.56 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.624 1.17 . . . . 0.0 109.933 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -142.63 157.44 44.68 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.433 1.493 . . . . 0.0 111.423 -172.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.43 135.99 53.99 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.048 0.939 . . . . 0.0 110.632 172.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.4 t -73.45 131.06 41.38 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -85.59 -8.19 58.41 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.633 1.573 . . . . 0.0 112.721 169.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 m -99.35 -31.93 11.43 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.804 1.241 . . . . 0.0 113.549 -176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.5 m -146.68 138.83 13.71 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 124.515 1.126 . . . . 0.0 112.19 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.61 138.33 34.89 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.964 2.443 . . . . 0.0 112.427 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.6 2.71 64.75 Favored Glycine 0 CA--C 1.539 1.577 0 N-CA-C 115.889 1.116 . . . . 0.0 115.889 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -103.54 168.31 9.24 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.402 1.481 . . . . 0.0 111.925 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -120.68 169.71 10.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.271 1.429 . . . . 0.0 111.556 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.7 t -135.74 129.55 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.84 1.256 . . . . 0.0 109.884 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.53 122.62 33.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.977 1.711 . . . . 0.0 107.844 169.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -115.39 135.16 54.42 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.614 0.766 . . . . 0.0 110.114 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 70.9 m -136.59 143.07 43.39 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.316 1.046 . . . . 0.0 112.079 -172.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.1 p -80.65 114.43 19.54 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 168.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -142.91 140.83 31.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.305 1.042 . . . . 0.0 111.851 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 56.74 31.13 18.85 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.147 1.379 . . . . 0.0 113.994 170.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.01 10.63 81.12 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 124.385 0.993 . . . . 0.0 114.879 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -133.71 -169.49 2.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 127.907 2.483 . . . . 0.0 110.441 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.16 134.48 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.257 1.023 . . . . 0.0 110.325 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -116.57 157.03 25.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.65 1.98 . . . . 0.0 111.218 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -138.96 137.27 36.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.996 1.318 . . . . 0.0 111.231 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -139.09 130.67 27.27 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.254 1.422 . . . . 0.0 111.38 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -77.05 126.31 30.76 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.408 -0.807 . . . . 0.0 111.811 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.3 mt -100.27 90.66 4.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.245 1.818 . . . . 0.0 107.216 169.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 m -87.93 144.99 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 125.362 1.465 . . . . 0.0 112.048 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.26 120.53 33.65 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.423 -0.798 . . . . 0.0 111.479 173.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -137.16 135.39 37.3 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.965 1.306 . . . . 0.0 110.53 170.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 50.59 30.05 4.54 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.549 1.54 . . . . 0.0 114.832 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.03 9.54 86.71 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.314 1.435 . . . . 0.0 115.202 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -122.06 163.88 18.66 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.668 1.987 . . . . 0.0 111.944 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.9 mm -91.69 118.1 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.012 1.325 . . . . 0.0 110.854 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -101.69 147.47 26.41 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.952 1.701 . . . . 0.0 110.748 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -148.86 117.43 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.148 0.979 . . . . 0.0 109.191 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.43 -101.29 0.11 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.784 1.633 . . . . 0.0 112.801 -168.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.4 p -111.48 -0.19 16.3 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.792 1.637 . . . . 0.0 113.635 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -91.73 149.9 21.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.633 1.573 . . . . 0.0 110.809 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.4 tp -134.09 135.41 43.22 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.368 1.467 . . . . 0.0 110.901 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -139.03 155.87 47.63 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.828 2.051 . . . . 0.0 111.25 -175.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.27 -36.01 81.88 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -156.29 172.22 18.85 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.441 1.496 . . . . 0.0 111.779 -173.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.95 -42.1 98.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.64 0.776 . . . . 0.0 112.895 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.88 -35.58 81.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.613 -0.68 . . . . 0.0 112.234 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.21 90.03 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.664 0.785 . . . . 0.0 112.661 172.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.71 88.01 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.232 0.613 . . . . 0.0 112.385 175.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.7 mm -60.63 -50.26 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.06 0.944 . . . . 0.0 110.447 171.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.9 m -58.82 -38.65 79.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.816 1.246 . . . . 0.0 112.367 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -58.82 -45.07 90.81 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.197 -0.94 . . . . 0.0 111.986 173.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -79.14 -3.72 46.92 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.2 mmt -80.15 -37.62 33.06 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.865 -1.147 . . . . 0.0 109.698 166.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -83.37 -29.65 28.04 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.853 1.261 . . . . 0.0 113.416 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -126.81 152.14 47.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.616 1.566 . . . . 0.0 111.94 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.88 139.56 55.16 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.05 -1.031 . . . . 0.0 111.64 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.37 -63.08 1.5 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.417 1.087 . . . . 0.0 110.695 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -144.06 -50.82 0.3 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.575 1.15 . . . . 0.0 111.515 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -110.28 -32.1 7.08 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.282 1.433 . . . . 0.0 111.674 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 t -153.03 169.7 22.27 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.942 1.297 . . . . 0.0 112.5 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 56.0 p -82.89 160.62 22.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.88 1.272 . . . . 0.0 111.662 169.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.85 142.52 58.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.177 0.991 . . . . 0.0 110.901 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -122.33 -45.06 2.23 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.466 1.107 . . . . 0.0 112.814 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -155.51 146.97 16.83 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.4 145.26 37.85 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.887 2.392 . . . . 0.0 111.597 171.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.0 tp -68.99 140.39 55.02 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.429 -0.795 . . . . 0.0 109.727 168.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -72.06 140.07 48.79 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.43 -0.794 . . . . 0.0 112.983 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.5 1.92 . . . . 0.0 111.382 170.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.895 -0.482 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 8.7 t -147.84 157.29 43.46 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.208 1.403 . . . . 0.0 111.657 177.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 58.9 m -140.33 152.93 46.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.616 1.567 . . . . 0.0 112.557 -172.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 75.19 14.02 82.24 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 115.77 1.068 . . . . 0.0 115.77 173.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 15.4 m -60.03 -24.53 64.58 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 65.1 p -92.79 -2.76 55.68 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.946 1.698 . . . . 0.0 114.455 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -57.73 120.98 24.1 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.481 1.039 . . . . 0.0 113.201 -174.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.272 28.1 ptm 47.28 24.8 0.48 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.494 2.318 . . . . 0.0 116.124 -175.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.48 148.01 41.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.018 0.927 . . . . 0.0 112.878 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 53.74 34.92 20.08 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.89 1.676 . . . . 0.0 114.609 175.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.57 142.04 51.78 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.041 -1.037 . . . . 0.0 113.029 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.42 163.22 40.32 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.108 1.763 . . . . 0.0 111.049 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.02 143.28 24.3 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 124.27 1.028 . . . . 0.0 111.959 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -63.29 -27.84 72.1 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.365 2.71 . . . . 0.0 114.428 -168.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -80.52 -8.32 59.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.425 1.49 . . . . 0.0 114.386 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -85.14 132.47 34.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.151 1.342 . . . . 0.0 112.314 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -122.05 0.84 9.73 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.622 1.569 . . . . 0.0 113.851 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.66 -136.17 41.59 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-O 118.591 -1.116 . . . . 0.0 113.242 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.57 57.57 6.03 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 124.312 3.341 . . . . 0.0 113.061 -176.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.64 148.15 38.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.276 1.031 . . . . 0.0 109.873 171.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.8 m -90.54 156.51 18.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.748 0.819 . . . . 0.0 111.335 171.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -52.54 -50.12 63.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.205 0.602 . . . . 0.0 112.587 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 m -57.67 -36.21 71.6 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -71.16 -42.62 68.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.049 0.94 . . . . 0.0 112.326 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.97 98.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.551 0.74 . . . . 0.0 111.889 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -67.99 -43.83 78.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.846 1.258 . . . . 0.0 112.234 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -65.57 -35.11 79.87 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.327 0.967 . . . . 0.0 112.116 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -67.35 -51.44 52.25 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.07 0.548 . . . . 0.0 111.792 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.57 -22.76 56.7 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.89 -28.41 62.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.383 0.992 . . . . 0.0 112.368 171.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -78.84 -33.03 46.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.285 1.034 . . . . 0.0 112.526 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.8 mmm -76.82 161.29 74.38 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.215 1.406 . . . . 0.0 113.152 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.02 163.72 37.9 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.296 2.664 . . . . 0.0 112.594 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -54.89 132.32 46.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.303 1.441 . . . . 0.0 112.122 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.76 2.11 63.17 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.134 1.35 . . . . 0.0 115.007 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -74.89 133.59 41.79 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.717 0.807 . . . . 0.0 109.55 169.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -136.47 161.32 36.18 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.48 157.75 43.8 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.873 1.269 . . . . 0.0 111.497 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.38 137.98 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.857 1.263 . . . . 0.0 110.069 169.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -142.83 160.51 40.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.56 1.544 . . . . 0.0 111.534 -173.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.87 137.17 58.19 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.32 1.048 . . . . 0.0 111.087 170.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t -76.02 136.77 39.96 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -57.57 117.5 4.24 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.477 1.511 . . . . 0.0 111.547 -174.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.6 m 53.55 20.62 2.17 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.679 1.592 . . . . 0.0 115.131 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.9 m -133.77 71.1 75.02 Favored Pre-proline 0 N--CA 1.473 0.716 0 C-N-CA 125.537 1.535 . . . . 0.0 110.88 -171.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -60.95 141.39 94.41 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.161 2.574 . . . . 0.0 112.441 -174.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.34 -14.53 49.97 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.985 1.279 . . . . 0.0 114.96 -175.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -98.15 159.87 14.66 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.95 1.375 . . . . 0.0 111.29 169.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -124.36 170.04 11.22 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.87 1.268 . . . . 0.0 111.668 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.6 t -136.15 129.84 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.044 1.338 . . . . 0.0 109.617 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 tp -91.76 123.32 35.07 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.805 1.642 . . . . 0.0 107.86 169.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -115.05 137.46 51.99 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.442 0.697 . . . . 0.0 110.086 175.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.8 m -139.12 138.95 37.48 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.426 1.09 . . . . 0.0 112.207 -173.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 p -80.46 100.5 8.55 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 122.059 0.933 . . . . 0.0 110.214 173.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -139.31 153.49 47.75 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 56.59 29.94 16.47 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.295 1.438 . . . . 0.0 113.931 172.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 12.72 79.78 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.359 0.98 . . . . 0.0 114.816 -177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -136.8 -166.77 1.96 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 127.683 2.393 . . . . 0.0 110.289 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.91 138.47 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.299 1.039 . . . . 0.0 109.325 169.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.6 p -122.26 154.62 37.3 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.913 1.685 . . . . 0.0 110.854 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -137.45 139.49 40.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.85 1.26 . . . . 0.0 111.511 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -139.66 127.86 22.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.432 1.493 . . . . 0.0 110.844 -174.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -67.39 132.47 47.74 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.437 -0.789 . . . . 0.0 112.34 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.76 76.88 1.0 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.722 2.009 . . . . 0.0 106.315 167.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.8 m -77.56 141.95 39.27 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.577 1.151 . . . . 0.0 111.7 -173.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.15 129.54 34.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.143 0.577 . . . . 0.0 111.357 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -140.76 108.69 5.7 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.807 1.643 . . . . 0.0 109.658 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 53.23 30.52 10.09 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.905 1.282 . . . . 0.0 113.889 -175.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.58 0.15 89.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.879 1.704 . . . . 0.0 115.32 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -104.16 173.32 6.35 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.851 2.06 . . . . 0.0 111.206 174.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.1 mm -105.79 120.33 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.078 1.351 . . . . 0.0 111.424 -170.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -106.67 126.52 52.38 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.987 1.715 . . . . 0.0 110.054 172.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 tt -139.65 128.38 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.934 1.294 . . . . 0.0 111.021 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 56.14 -84.25 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.253 1.821 . . . . 0.0 112.247 -168.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -134.25 -11.78 2.49 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.776 2.031 . . . . 0.0 112.907 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -81.98 138.28 34.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.99 1.716 . . . . 0.0 111.215 -176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.5 tp -107.89 133.49 52.16 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.906 1.282 . . . . 0.0 110.747 171.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -131.99 154.04 49.74 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.458 1.903 . . . . 0.0 111.192 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.37 -35.73 81.84 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -155.89 171.69 19.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.3 1.44 . . . . 0.0 111.802 -173.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.2 -42.95 99.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.05 0.94 . . . . 0.0 112.93 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.53 -35.99 82.29 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.536 -0.728 . . . . 0.0 112.344 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.19 93.12 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.696 0.798 . . . . 0.0 112.643 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.18 82.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.24 0.616 . . . . 0.0 112.287 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.8 mm -58.75 -49.63 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.156 0.982 . . . . 0.0 110.43 173.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.2 m -60.18 -42.23 94.57 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.518 1.127 . . . . 0.0 112.175 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.22 -43.86 92.32 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.256 -0.903 . . . . 0.0 111.608 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -78.17 3.44 15.18 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.7 mtt -94.95 -37.32 11.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.412 1.085 . . . . 0.0 110.139 166.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -76.41 -28.88 56.84 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.64 1.176 . . . . 0.0 113.024 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -131.07 159.28 38.03 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.344 1.858 . . . . 0.0 111.591 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.55 143.43 46.48 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.039 -1.038 . . . . 0.0 111.757 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 tt -83.67 -62.22 1.63 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.752 1.221 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.56 -70.54 0.36 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.223 1.409 . . . . 0.0 110.284 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -89.87 -32.13 17.02 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.224 1.01 . . . . 0.0 113.003 178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 t -157.5 -177.7 6.79 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.417 1.487 . . . . 0.0 111.553 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 p -90.56 160.68 15.82 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.833 1.653 . . . . 0.0 112.307 169.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.2 mt -65.92 136.66 56.41 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.006 1.322 . . . . 0.0 111.012 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -112.01 -49.72 2.96 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -152.34 146.04 18.04 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -173.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -72.88 142.45 35.15 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.73 2.287 . . . . 0.0 111.335 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.84 139.74 57.12 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.57 -0.706 . . . . 0.0 110.172 169.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -84.19 150.43 25.49 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.874 0.87 . . . . 0.0 111.8 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.81 1.644 . . . . 0.0 112.964 -175.089 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 34.9 m -67.92 151.84 46.49 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.551 1.141 . . . . 0.0 113.166 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 16.6 m -78.89 -12.61 60.04 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -67.95 149.29 50.17 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.419 1.009 . . . . 0.0 113.954 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 12.0 t -152.05 159.21 43.75 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.284 1.434 . . . . 0.0 111.763 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.2 t 58.2 -173.31 0.09 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.374 1.87 . . . . 0.0 114.404 -176.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 140.25 -12.83 3.04 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.787 1.661 . . . . 0.0 115.307 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt -97.63 137.44 36.55 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.745 1.218 . . . . 0.0 112.284 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.45 65.85 8.07 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.085 1.354 . . . . 0.0 111.341 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.53 -13.15 60.64 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -170.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.33 146.38 26.71 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.328 1.451 . . . . 0.0 112.458 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.13 167.1 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.813 2.445 . . . . 0.0 116.522 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.14 150.87 44.12 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 125.033 1.333 . . . . 0.0 110.961 171.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.42 -26.68 34.49 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.053 2.502 . . . . 0.0 114.044 -171.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -80.5 -3.96 52.03 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.505 1.522 . . . . 0.0 114.541 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -84.23 135.81 34.2 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.906 1.23 . . . . 0.0 112.435 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -124.21 7.33 8.48 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.512 1.525 . . . . 0.0 114.424 -178.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.97 -149.21 50.08 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 113.115 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -77.4 57.7 6.01 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.353 3.368 . . . . 0.0 112.816 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.94 138.08 45.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.684 1.193 . . . . 0.0 110.794 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.1 m -80.95 158.03 25.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.75 0.82 . . . . 0.0 112.048 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -51.09 -53.17 36.52 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.684 0.794 . . . . 0.0 112.41 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -59.01 -35.9 74.02 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -70.71 -43.01 69.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.123 0.969 . . . . 0.0 112.322 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.02 97.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.45 0.7 . . . . 0.0 111.724 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -67.91 -42.91 80.38 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.655 1.182 . . . . 0.0 112.399 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -66.0 -35.42 80.54 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.534 1.061 . . . . 0.0 112.104 175.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.9 m -66.23 -49.55 66.85 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.922 0.489 . . . . 0.0 111.693 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.51 -23.13 50.29 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -71.48 -29.22 64.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.327 0.967 . . . . 0.0 112.206 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.86 -32.96 52.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.213 1.005 . . . . 0.0 112.447 173.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 88.6 mmm -77.88 161.68 70.4 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.215 1.406 . . . . 0.0 113.371 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.48 168.04 25.41 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.293 2.662 . . . . 0.0 112.734 172.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.37 139.64 57.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.18 1.392 . . . . 0.0 112.781 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.08 87.54 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.282 1.896 . . . . 0.0 115.63 -176.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -73.78 132.6 42.78 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.301 1.051 . . . . 0.0 109.708 169.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -136.31 161.46 35.71 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.18 157.43 43.6 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 125.292 1.437 . . . . 0.0 110.922 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -119.69 136.45 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.424 1.089 . . . . 0.0 109.944 170.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -136.48 152.55 50.68 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.171 1.388 . . . . 0.0 111.803 -176.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.75 133.66 52.52 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 168.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.9 t -66.19 131.8 46.98 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -167.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -73.69 -9.31 58.53 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.777 1.631 . . . . 0.0 113.387 170.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.8 m -84.86 -42.06 15.44 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.915 0.78 . . . . 0.0 112.302 172.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 t -161.67 131.69 3.42 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.637 1.175 . . . . 0.0 111.24 172.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -66.51 149.15 84.49 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.841 2.361 . . . . 0.0 112.556 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.57 -21.12 44.81 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.122 1.344 . . . . 0.0 113.97 -175.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -94.67 159.46 15.06 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.991 1.317 . . . . 0.0 108.929 166.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -120.97 166.08 14.34 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.269 -0.894 . . . . 0.0 112.436 -176.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.44 130.07 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.065 1.346 . . . . 0.0 109.558 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.7 tp -91.67 120.14 32.17 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 125.817 1.647 . . . . 0.0 108.084 170.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -112.21 133.88 54.08 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.797 0.839 . . . . 0.0 109.721 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.3 m -136.02 139.54 43.19 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.646 1.178 . . . . 0.0 112.168 -172.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 p -81.87 101.19 10.05 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 169.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -142.92 152.67 42.3 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.2 t30 49.18 40.41 17.7 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.476 1.91 . . . . 0.0 113.273 -174.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.98 9.09 55.97 Favored Glycine 0 CA--C 1.542 1.738 0 N-CA-C 115.863 1.105 . . . . 0.0 115.863 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -129.66 -169.51 2.13 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.19 2.196 . . . . 0.0 110.756 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.3 t -117.8 134.97 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.106 0.962 . . . . 0.0 110.05 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -124.6 158.43 33.05 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.771 1.628 . . . . 0.0 111.375 -176.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -135.4 139.08 43.9 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.976 1.31 . . . . 0.0 111.279 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -137.41 128.14 27.05 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.583 1.553 . . . . 0.0 110.706 -175.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -73.67 131.96 42.21 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.4 -0.813 . . . . 0.0 112.011 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.8 mt -107.65 79.81 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.051 2.141 . . . . 0.0 106.799 169.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.8 m -77.85 140.22 39.34 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.857 1.263 . . . . 0.0 111.68 -173.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.55 129.1 34.16 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.263 0.625 . . . . 0.0 111.285 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -139.54 106.84 5.51 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.591 1.557 . . . . 0.0 109.697 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 51.82 31.8 8.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.015 1.326 . . . . 0.0 114.249 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.08 -1.34 88.9 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.681 1.61 . . . . 0.0 115.228 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -102.68 174.45 5.88 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.549 1.94 . . . . 0.0 111.029 173.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.9 mm -108.96 119.92 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.017 1.327 . . . . 0.0 111.39 -170.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -106.06 127.38 53.14 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.947 1.699 . . . . 0.0 110.089 172.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.2 tt -139.43 127.92 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.787 1.235 . . . . 0.0 110.628 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.5 t70 55.79 -83.89 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.339 1.856 . . . . 0.0 112.371 -168.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -134.21 -12.35 2.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.747 2.019 . . . . 0.0 112.888 171.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -80.89 136.62 36.09 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.927 1.691 . . . . 0.0 110.894 -176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 tp -105.82 133.17 50.98 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.513 1.125 . . . . 0.0 110.751 170.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.13 154.05 47.9 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.641 1.976 . . . . 0.0 110.852 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.39 -35.82 82.11 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -156.32 172.21 18.88 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.511 1.525 . . . . 0.0 111.722 -174.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.87 -42.39 99.0 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.809 0.843 . . . . 0.0 113.027 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.52 -35.53 81.25 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.602 -0.686 . . . . 0.0 112.357 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.99 92.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.675 0.79 . . . . 0.0 112.59 172.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.82 79.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.32 0.648 . . . . 0.0 112.087 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.4 mm -58.44 -49.41 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.953 0.901 . . . . 0.0 110.459 173.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -59.81 -41.02 90.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.728 1.211 . . . . 0.0 112.22 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.11 -44.76 94.61 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.197 -0.94 . . . . 0.0 111.626 174.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -78.52 -2.6 39.49 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.4 mmt -83.29 -39.56 20.67 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.071 -1.018 . . . . 0.0 109.782 166.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -81.71 -29.01 33.16 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.735 1.214 . . . . 0.0 113.502 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -128.46 156.88 42.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.937 1.695 . . . . 0.0 111.628 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.52 140.25 49.84 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.0 -1.062 . . . . 0.0 111.638 176.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tt -81.52 -60.67 2.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.779 1.232 . . . . 0.0 110.436 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -145.41 -64.44 0.33 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.091 1.356 . . . . 0.0 110.455 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.75 -33.88 14.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.324 1.05 . . . . 0.0 113.054 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -157.8 -175.14 5.2 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.773 1.629 . . . . 0.0 110.762 173.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.1 p -87.97 161.84 17.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.818 1.647 . . . . 0.0 112.276 169.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.99 144.62 56.94 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.073 1.349 . . . . 0.0 110.878 171.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -125.66 -42.37 1.94 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -157.57 147.71 15.68 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.8 147.1 49.58 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.847 2.365 . . . . 0.0 111.663 171.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.58 144.49 56.4 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.631 0.772 . . . . 0.0 110.564 169.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -82.63 149.94 27.11 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.072 0.949 . . . . 0.0 112.108 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 125.921 1.688 . . . . 0.0 113.022 -179.221 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 46.3 m -140.34 154.48 46.77 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.161 1.384 . . . . 0.0 112.149 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 39.8 m -63.28 138.64 58.6 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.069 0.948 . . . . 0.0 112.333 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 79.69 -4.16 66.08 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.682 1.134 . . . . 0.0 115.771 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 49.6 m -80.82 47.48 0.98 Allowed 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.23 1.515 . . . . 0.0 112.711 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.4 m -75.23 -2.61 28.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.898 1.679 . . . . 0.0 115.419 -169.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -73.64 69.67 1.45 Allowed Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.481 1.515 . . . . 0.0 113.023 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mtp -127.86 156.86 41.9 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.324 1.849 . . . . 0.0 112.053 -174.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.45 50.46 1.11 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.6 1.56 . . . . 0.0 113.524 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -86.43 5.63 34.16 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.565 1.546 . . . . 0.0 114.085 -174.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.68 146.51 54.63 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.525 1.13 . . . . 0.0 113.421 -178.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.71 175.87 10.84 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.16 1.784 . . . . 0.0 111.46 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.17 145.5 80.7 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.51 0.724 . . . . 0.0 111.59 171.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.33 -20.39 55.27 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.161 2.574 . . . . 0.0 113.698 -171.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -86.08 -9.24 57.06 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -89.62 130.89 35.85 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.698 1.59 . . . . 0.0 112.482 -177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -122.62 8.97 9.52 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.525 1.53 . . . . 0.0 114.27 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.85 -145.71 45.52 Favored Glycine 0 CA--C 1.537 1.435 0 O-C-N 120.817 -1.177 . . . . 0.0 113.494 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.7 53.4 4.35 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.502 3.468 . . . . 0.0 113.084 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 tp -71.72 142.4 49.79 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.808 1.243 . . . . 0.0 110.422 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.6 m -91.76 161.64 14.79 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.211 1.005 . . . . 0.0 112.197 175.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -49.62 -54.06 20.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.818 0.847 . . . . 0.0 112.591 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -57.95 -36.84 73.11 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -72.18 -40.31 68.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.179 0.992 . . . . 0.0 112.538 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.76 94.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.628 0.771 . . . . 0.0 111.868 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.6 -45.95 77.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.684 1.193 . . . . 0.0 111.995 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -70.66 -12.82 61.8 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.3 m -84.69 -53.78 5.14 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.239 0.927 . . . . 0.0 111.369 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.91 -26.34 60.48 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.38 -25.2 67.47 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.673 1.124 . . . . 0.0 112.521 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -90.4 -12.48 37.41 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.19 1.396 . . . . 0.0 113.729 173.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 95.2 mmm -93.1 160.03 34.36 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.332 1.453 . . . . 0.0 112.274 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.19 162.18 43.39 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.874 2.383 . . . . 0.0 111.895 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.59 138.82 51.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.548 1.139 . . . . 0.0 112.614 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.11 2.52 80.5 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.457 1.027 . . . . 0.0 114.775 -176.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 m -74.85 130.82 40.11 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.605 1.203 . . . . 0.0 109.192 168.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -137.18 161.93 34.83 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.47 157.88 43.76 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.04 1.336 . . . . 0.0 110.924 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -121.88 137.54 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.12 1.368 . . . . 0.0 109.594 171.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -137.27 154.95 50.01 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.178 1.391 . . . . 0.0 111.676 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.2 135.04 54.95 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.076 0.55 . . . . 0.0 109.846 169.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 t -66.85 132.8 48.77 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -169.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.6 p -86.85 -2.34 58.5 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.876 1.67 . . . . 0.0 113.08 169.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.8 m -120.46 -31.7 4.26 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.854 1.261 . . . . 0.0 114.187 -171.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.2 m -139.47 114.25 8.1 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.259 1.024 . . . . 0.0 111.758 -174.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -55.9 135.11 68.02 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.963 2.442 . . . . 0.0 113.74 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 -4.58 62.07 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.893 1.235 . . . . 0.0 115.929 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -95.89 162.3 13.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.26 1.53 . . . . 0.0 112.372 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -110.76 170.0 8.39 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.803 1.241 . . . . 0.0 110.072 169.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.0 t -136.61 128.82 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.417 1.087 . . . . 0.0 110.017 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.4 tp -90.28 122.89 33.59 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.166 1.786 . . . . 0.0 108.228 170.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 m -116.4 133.32 56.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.01 0.924 . . . . 0.0 109.934 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.1 m -135.93 143.58 45.0 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.49 1.116 . . . . 0.0 112.664 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 p -80.96 113.87 19.46 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 169.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -142.83 136.58 28.9 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.212 1.005 . . . . 0.0 112.466 -175.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.2 t30 52.53 38.4 25.58 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.958 1.703 . . . . 0.0 113.992 170.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.44 7.9 74.33 Favored Glycine 0 CA--C 1.539 1.55 0 N-CA-C 115.444 0.938 . . . . 0.0 115.444 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -129.43 -172.09 2.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.253 2.221 . . . . 0.0 110.971 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.2 t -120.6 133.76 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.444 1.098 . . . . 0.0 109.903 173.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.1 p -115.02 156.91 24.24 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.516 1.926 . . . . 0.0 111.23 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -139.17 137.32 35.95 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.879 1.271 . . . . 0.0 111.344 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -140.82 128.76 21.9 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.674 1.59 . . . . 0.0 110.659 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -73.62 133.64 43.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.814 1.188 . . . . 0.0 112.238 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.8 mt -99.42 78.97 2.24 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.454 2.301 . . . . 0.0 105.035 167.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.1 m -76.49 138.71 40.44 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.44 1.496 . . . . 0.0 111.984 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.12 125.19 29.5 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.102 0.561 . . . . 0.0 111.059 174.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -138.93 104.32 5.03 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.208 1.403 . . . . 0.0 109.75 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 50.46 33.4 7.72 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.318 1.447 . . . . 0.0 114.747 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.12 -4.2 86.41 Favored Glycine 0 CA--C 1.541 1.67 0 C-N-CA 125.962 1.744 . . . . 0.0 115.374 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -97.13 168.09 10.66 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.48 1.912 . . . . 0.0 111.638 172.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 mm -104.59 118.02 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.788 1.635 . . . . 0.0 110.243 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -103.43 129.48 50.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.736 1.614 . . . . 0.0 109.965 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.6 tt -139.37 125.79 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.262 1.025 . . . . 0.0 111.429 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 56.32 -70.77 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.901 2.48 . . . . 0.0 113.878 -169.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -143.02 -10.22 0.77 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.372 1.869 . . . . 0.0 113.643 169.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -89.9 137.53 32.26 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.985 1.714 . . . . 0.0 110.718 -171.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.4 tp -111.28 134.62 52.73 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.947 1.299 . . . . 0.0 111.719 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -135.2 155.45 50.65 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.06 1.744 . . . . 0.0 112.177 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.34 -35.82 82.1 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -156.52 172.26 18.86 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.149 1.379 . . . . 0.0 112.322 -172.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.9 -44.04 97.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.255 1.022 . . . . 0.0 113.171 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.57 -35.14 79.51 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.572 -0.705 . . . . 0.0 112.346 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.78 90.3 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.962 0.905 . . . . 0.0 112.587 172.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.82 -40.3 87.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.245 0.618 . . . . 0.0 112.324 176.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.2 mm -61.24 -50.66 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.138 0.975 . . . . 0.0 110.436 171.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.8 m -58.64 -39.97 82.07 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.557 1.143 . . . . 0.0 112.366 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -57.82 -44.01 86.15 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.062 -1.024 . . . . 0.0 112.038 174.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -80.47 2.68 24.21 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 51.3 mtt -92.09 -36.07 13.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.045 -1.034 . . . . 0.0 109.914 166.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -77.53 -29.1 52.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.706 1.203 . . . . 0.0 113.178 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -129.93 157.19 42.98 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.014 1.726 . . . . 0.0 111.851 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -72.97 145.0 47.04 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.948 -1.095 . . . . 0.0 111.707 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -83.0 -63.71 1.31 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.738 1.215 . . . . 0.0 110.987 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.3 -53.05 0.37 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.468 1.107 . . . . 0.0 111.428 177.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -112.49 -30.81 7.01 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.36 1.464 . . . . 0.0 111.895 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -150.87 175.63 11.84 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.816 1.247 . . . . 0.0 112.521 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.0 p -88.48 166.04 14.47 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.458 1.503 . . . . 0.0 112.107 170.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.78 127.49 32.74 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.322 1.049 . . . . 0.0 110.104 171.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -112.3 -42.16 3.76 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.462 1.105 . . . . 0.0 113.243 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -155.45 145.83 15.98 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -70.23 147.54 60.06 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.515 2.143 . . . . 0.0 110.815 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.6 tp -61.73 140.59 58.19 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.377 -0.827 . . . . 0.0 111.315 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.79 149.01 44.0 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.645 1.178 . . . . 0.0 112.878 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 125.381 1.472 . . . . 0.0 113.297 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 60.3 p -84.41 -14.49 49.22 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.112 1.365 . . . . 0.0 114.243 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 12.7 p -65.82 127.98 34.16 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.456 1.102 . . . . 0.0 111.73 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 72.99 -2.24 35.47 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.741 1.162 . . . . 0.0 115.823 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 87.9 p -121.46 -26.73 4.92 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.061 1.431 . . . . 0.0 113.937 -178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 11.9 t -70.42 155.89 40.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.382 1.073 . . . . 0.0 112.168 171.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -179.79 -158.85 22.65 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.748 1.166 . . . . 0.0 113.472 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.9 mtm -78.3 32.96 0.19 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.602 1.561 . . . . 0.0 114.159 -175.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.3 -15.39 62.47 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.849 -1.157 . . . . 0.0 114.089 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -69.86 -8.75 51.17 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 172.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.88 -1.9 37.3 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.4 154.38 34.92 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.95 1.3 . . . . 0.0 111.817 171.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.5 143.6 10.13 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.887 1.275 . . . . 0.0 111.911 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -61.37 -30.57 87.58 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.012 2.474 . . . . 0.0 113.967 -168.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -75.36 -11.53 60.07 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -84.07 133.47 34.64 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 120.556 1.525 . . . . 0.0 111.845 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -122.9 7.62 9.32 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.442 1.497 . . . . 0.0 114.195 -177.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.32 -147.0 48.43 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 120.893 -1.13 . . . . 0.0 113.185 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.04 54.91 5.09 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.422 3.415 . . . . 0.0 113.05 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 tp -72.43 141.15 48.65 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.682 1.193 . . . . 0.0 110.672 174.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -87.72 160.73 17.97 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.233 1.013 . . . . 0.0 112.198 175.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -51.06 -54.15 27.42 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.818 0.847 . . . . 0.0 112.711 176.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 m -57.52 -37.03 72.36 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.183 0.593 . . . . 0.0 112.556 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -69.93 -43.96 70.58 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.072 0.949 . . . . 0.0 112.259 174.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.42 99.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.495 0.718 . . . . 0.0 112.216 175.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.49 -45.42 79.68 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.591 1.157 . . . . 0.0 111.903 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -66.38 -34.25 77.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.033 0.833 . . . . 0.0 112.322 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 m -67.03 -44.36 80.42 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.032 0.533 . . . . 0.0 112.38 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.02 -26.71 28.91 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -65.02 -25.48 67.87 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.819 1.19 . . . . 0.0 112.202 173.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -77.3 -22.05 52.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.102 1.361 . . . . 0.0 113.369 171.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -98.74 160.62 27.43 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 125.831 1.652 . . . . 0.0 113.287 -172.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.0 162.93 41.01 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 123.221 2.614 . . . . 0.0 112.383 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.53 137.18 56.58 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.148 1.379 . . . . 0.0 113.056 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.18 5.3 85.74 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.636 1.112 . . . . 0.0 114.648 -176.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.4 m -73.92 129.04 37.09 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.976 1.388 . . . . 0.0 108.616 167.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.38 160.36 38.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -173.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.25 157.72 43.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.036 1.334 . . . . 0.0 110.741 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.26 135.57 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 124.855 1.262 . . . . 0.0 109.432 171.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -133.68 153.01 52.01 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.969 1.307 . . . . 0.0 111.527 -176.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.79 133.44 54.75 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.406 0.682 . . . . 0.0 109.651 169.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.3 t -65.8 129.34 39.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 122.161 0.981 . . . . 0.0 113.483 -168.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 p -80.91 -3.63 52.07 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.486 1.514 . . . . 0.0 112.955 169.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.5 m -108.42 -32.88 7.25 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.073 1.349 . . . . 0.0 113.745 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -145.59 143.91 21.24 Favored Pre-proline 0 N--CA 1.477 0.914 0 C-N-CA 123.835 0.854 . . . . 0.0 112.817 -177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.28 142.42 55.04 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 122.721 2.281 . . . . 0.0 111.817 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.72 -3.32 43.9 Favored Glycine 0 CA--C 1.542 1.73 0 N-CA-C 116.296 1.278 . . . . 0.0 116.296 176.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -99.06 163.8 12.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.917 1.359 . . . . 0.0 112.185 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -118.33 170.55 8.81 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.07 1.348 . . . . 0.0 111.334 173.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.99 129.16 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.878 1.271 . . . . 0.0 109.713 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 tp -89.39 124.49 34.5 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.539 1.536 . . . . 0.0 108.283 170.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 m -114.58 136.21 53.28 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.859 0.864 . . . . 0.0 109.861 172.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.0 t -141.08 143.43 34.34 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.037 0.935 . . . . 0.0 112.083 -174.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 p -79.15 113.19 17.07 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.112 -0.992 . . . . 0.0 109.402 171.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -139.41 123.47 17.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.258 1.023 . . . . 0.0 113.527 -173.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.2 t30 50.36 50.59 18.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.898 2.079 . . . . 0.0 113.274 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.31 86.16 Favored Glycine 0 CA--C 1.538 1.493 0 N-CA-C 115.996 1.158 . . . . 0.0 115.996 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -139.34 -173.85 3.71 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.204 1.801 . . . . 0.0 111.22 175.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -114.89 134.06 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.097 0.959 . . . . 0.0 111.008 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.7 p -110.74 158.86 18.18 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.592 1.957 . . . . 0.0 111.391 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -139.01 137.28 36.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.029 1.332 . . . . 0.0 111.187 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -138.9 131.03 28.15 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.288 1.435 . . . . 0.0 111.836 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -67.43 132.63 48.02 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.583 -0.698 . . . . 0.0 112.118 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.0 mt -111.0 80.47 1.31 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.853 2.061 . . . . 0.0 105.996 168.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -82.08 139.93 34.15 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.771 1.228 . . . . 0.0 112.023 -170.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.77 127.78 35.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.465 0.706 . . . . 0.0 112.416 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -134.91 114.09 12.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.459 1.503 . . . . 0.0 109.914 170.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 52.01 30.12 7.02 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.829 1.252 . . . . 0.0 114.135 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.56 -3.84 83.8 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.877 1.703 . . . . 0.0 115.296 -176.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -93.12 163.15 13.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.908 1.683 . . . . 0.0 111.44 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.3 mm -108.45 114.94 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.513 1.525 . . . . 0.0 111.934 -168.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -98.78 127.26 44.65 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.18 1.792 . . . . 0.0 109.972 173.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 tt -141.16 130.52 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.249 1.02 . . . . 0.0 111.036 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 t70 51.99 -92.25 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.08 1.752 . . . . 0.0 113.151 -169.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.9 p -130.4 8.31 5.02 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.894 2.077 . . . . 0.0 112.754 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -107.1 148.66 28.51 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.716 2.006 . . . . 0.0 111.097 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.5 tp -123.12 131.41 53.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.425 1.49 . . . . 0.0 110.234 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -129.2 155.6 45.28 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 126.356 1.862 . . . . 0.0 111.38 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.61 -35.06 79.71 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -157.24 171.72 19.92 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.303 1.441 . . . . 0.0 111.956 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.65 -43.18 99.35 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.028 0.931 . . . . 0.0 113.072 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.52 -36.01 82.37 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.598 -0.689 . . . . 0.0 112.246 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.91 92.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.884 0.874 . . . . 0.0 112.625 172.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.43 88.34 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.209 0.604 . . . . 0.0 112.205 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.6 mm -59.6 -50.36 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.042 0.937 . . . . 0.0 110.501 172.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.6 m -59.16 -40.64 86.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.575 1.15 . . . . 0.0 112.266 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.48 -44.23 89.26 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.164 -0.96 . . . . 0.0 111.847 174.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -78.81 1.19 24.13 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.2 mtt -91.2 -37.34 13.39 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.055 -1.028 . . . . 0.0 110.034 166.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -77.02 -28.99 55.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.603 1.161 . . . . 0.0 113.164 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -129.97 157.08 43.29 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.086 1.754 . . . . 0.0 111.703 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.47 144.48 49.67 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.037 -1.04 . . . . 0.0 111.745 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 tt -82.06 -64.41 1.19 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.905 1.282 . . . . 0.0 110.762 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -144.63 -51.39 0.29 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.442 1.097 . . . . 0.0 111.646 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -110.11 -32.37 7.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.69 1.596 . . . . 0.0 111.776 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -152.29 175.17 12.93 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.822 1.249 . . . . 0.0 112.403 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 61.5 p -88.42 162.93 16.23 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.187 1.395 . . . . 0.0 112.177 169.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.26 128.73 37.64 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.307 1.043 . . . . 0.0 110.042 172.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -106.62 -45.61 4.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.749 1.22 . . . . 0.0 113.075 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -154.54 142.59 14.2 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -64.02 144.01 86.45 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.826 2.351 . . . . 0.0 112.3 168.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp -68.23 148.32 50.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 167.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -88.83 140.49 29.39 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.464 -0.773 . . . . 0.0 111.892 176.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 124.896 1.278 . . . . 0.0 112.079 170.681 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 33.6 m -68.51 154.83 41.1 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.598 1.159 . . . . 0.0 113.374 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 65.3 p -82.96 -7.41 59.67 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -64.98 155.74 48.35 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.319 0.962 . . . . 0.0 113.755 177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 33.7 m 54.7 31.98 16.41 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.53 1.532 . . . . 0.0 114.558 -176.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.4 t -61.06 139.12 58.15 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.348 -0.845 . . . . 0.0 111.949 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 76.3 -0.4 63.84 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.797 1.189 . . . . 0.0 115.591 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt -62.14 128.72 37.47 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.282 1.541 . . . . 0.0 111.278 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.06 26.34 4.78 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.946 1.699 . . . . 0.0 115.248 -178.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -70.02 -33.66 72.29 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.004 -1.06 . . . . 0.0 113.204 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.32 9.62 0.26 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.4 2.68 . . . . 0.0 117.429 173.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.45 159.26 15.32 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.379 1.472 . . . . 0.0 112.972 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.06 148.08 98.94 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 123.594 0.758 . . . . 0.0 111.144 169.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.54 -22.66 58.33 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 122.817 2.344 . . . . 0.0 113.377 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 -85.28 -8.62 58.42 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 174.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -87.72 127.94 35.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.823 1.647 . . . . 0.0 112.255 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -119.29 0.21 11.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.084 1.754 . . . . 0.0 113.742 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.22 -140.54 41.68 Favored Glycine 0 CA--C 1.54 1.624 0 CA-C-O 118.744 -1.031 . . . . 0.0 113.707 174.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -67.43 46.25 0.28 Allowed 'Trans proline' 0 CA--C 1.549 1.273 1 C-N-CA 125.395 4.063 . . . . 0.0 116.667 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 tp -71.7 149.6 45.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.787 -1.195 . . . . 0.0 110.34 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.7 m -91.87 156.35 17.55 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.884 0.874 . . . . 0.0 111.454 171.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -53.05 -48.63 67.51 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.739 -0.601 . . . . 0.0 112.548 175.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -57.19 -37.72 72.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.268 0.627 . . . . 0.0 112.597 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -71.48 -41.44 69.34 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.093 0.957 . . . . 0.0 112.252 174.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.52 98.73 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.539 0.736 . . . . 0.0 111.91 173.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.11 -45.85 75.95 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.73 1.212 . . . . 0.0 112.296 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -64.97 -31.35 72.54 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.089 0.858 . . . . 0.0 112.389 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -71.03 -52.37 19.94 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.07 0.548 . . . . 0.0 111.787 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.73 -25.72 59.31 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.63 -26.55 63.53 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.196 0.907 . . . . 0.0 112.25 173.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -80.74 -33.04 35.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.737 1.215 . . . . 0.0 112.478 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -75.92 161.6 75.03 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 125.397 1.479 . . . . 0.0 113.741 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.51 164.33 29.14 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.373 2.715 . . . . 0.0 112.479 169.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.37 145.29 52.06 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.673 1.189 . . . . 0.0 112.692 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 8.26 87.83 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.98 0.8 . . . . 0.0 114.483 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.0 m -77.55 130.51 37.02 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.139 0.969 . . . . 0.0 109.282 169.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -137.41 160.69 38.38 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.2 156.08 43.15 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 125.153 1.381 . . . . 0.0 110.743 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.81 135.08 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.327 1.451 . . . . 0.0 109.275 171.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -140.93 163.13 33.78 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.076 1.351 . . . . 0.0 111.484 -173.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -60.98 136.45 58.09 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.911 0.884 . . . . 0.0 111.081 170.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.5 t -75.78 135.01 40.29 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -170.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 m -58.73 120.5 9.06 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.735 1.214 . . . . 0.0 110.75 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m 53.67 22.25 3.01 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -133.3 87.1 39.34 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 124.96 1.304 . . . . 0.0 111.702 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -56.47 134.49 64.63 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.257 2.638 . . . . 0.0 113.028 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.18 -6.41 56.77 Favored Glycine 0 CA--C 1.539 1.59 0 N-CA-C 115.939 1.136 . . . . 0.0 115.939 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -98.01 161.6 13.64 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.307 1.554 . . . . 0.0 111.651 172.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -122.84 170.65 9.87 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.833 1.253 . . . . 0.0 111.781 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.7 t -135.37 128.27 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.996 1.319 . . . . 0.0 110.112 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.5 tp -89.3 120.64 30.83 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.913 1.685 . . . . 0.0 107.618 169.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -112.63 135.34 53.47 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.7 0.8 . . . . 0.0 109.697 173.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.3 m -136.69 142.77 43.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.233 1.013 . . . . 0.0 112.278 -172.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.6 p -82.0 112.03 18.72 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.959 0.885 . . . . 0.0 108.653 169.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.24 135.84 34.34 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.805 1.242 . . . . 0.0 112.2 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 53.61 38.12 27.53 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.694 1.597 . . . . 0.0 113.965 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.26 8.45 74.93 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.302 0.953 . . . . 0.0 115.394 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -132.3 -171.52 2.66 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.009 2.124 . . . . 0.0 110.878 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -121.02 135.34 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.235 1.014 . . . . 0.0 110.459 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.5 p -117.86 157.4 26.71 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.539 1.936 . . . . 0.0 111.151 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.81 137.79 35.27 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.953 1.301 . . . . 0.0 111.12 -178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -140.72 127.26 20.11 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.36 1.464 . . . . 0.0 110.78 -174.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -71.5 134.4 46.5 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.093 -1.005 . . . . 0.0 112.292 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -104.8 81.07 1.71 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 128.175 2.59 . . . . 0.0 105.781 168.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.6 m -79.79 139.43 37.24 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.754 1.222 . . . . 0.0 111.681 -172.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.25 126.1 30.7 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.168 0.587 . . . . 0.0 111.107 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -139.22 109.31 6.4 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.554 1.542 . . . . 0.0 109.637 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 51.96 31.13 8.13 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.937 1.295 . . . . 0.0 114.277 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.33 0.8 90.27 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.692 1.615 . . . . 0.0 115.217 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -106.75 174.01 6.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.898 2.079 . . . . 0.0 111.088 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.9 mm -108.01 120.18 58.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.967 1.307 . . . . 0.0 111.387 -170.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -105.59 128.19 53.47 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.96 1.704 . . . . 0.0 110.09 172.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.9 tt -139.37 127.87 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.841 1.257 . . . . 0.0 110.45 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 54.92 -95.12 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.53 1.532 . . . . 0.0 111.411 -167.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.7 p -119.73 -13.34 9.13 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.325 1.45 . . . . 0.0 113.372 169.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -80.97 135.63 35.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.818 1.647 . . . . 0.0 111.39 -173.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.9 tp -106.44 134.08 50.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.783 1.233 . . . . 0.0 110.781 171.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -131.84 154.34 49.26 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.65 1.98 . . . . 0.0 110.966 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.9 -35.78 82.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -156.46 172.14 19.05 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.544 1.538 . . . . 0.0 111.62 -173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.31 -43.76 98.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.871 0.868 . . . . 0.0 112.935 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.5 -35.45 80.5 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.644 -0.66 . . . . 0.0 112.289 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.753 0.821 . . . . 0.0 112.674 172.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.68 86.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.279 0.632 . . . . 0.0 112.184 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -60.01 -49.77 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.937 0.895 . . . . 0.0 110.342 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.6 m -59.03 -38.79 80.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.675 1.19 . . . . 0.0 112.431 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -60.95 -46.49 90.5 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.209 -0.932 . . . . 0.0 111.846 173.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -77.8 -5.73 51.76 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.8 mmt -76.81 -36.36 56.98 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.984 -1.073 . . . . 0.0 110.144 166.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -88.0 -28.33 21.49 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.01 1.324 . . . . 0.0 113.42 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -128.29 146.71 50.67 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.503 1.521 . . . . 0.0 111.996 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -65.67 136.88 56.87 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.493 -0.754 . . . . 0.0 111.476 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.29 -62.43 1.66 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.4 1.08 . . . . 0.0 110.757 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -142.9 -49.09 0.33 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.517 1.127 . . . . 0.0 111.23 173.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -110.37 -33.68 6.56 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.265 1.426 . . . . 0.0 111.578 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -155.8 174.93 14.61 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.332 1.053 . . . . 0.0 113.285 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.2 m -84.4 158.92 20.94 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.386 1.474 . . . . 0.0 112.218 174.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.4 mt -64.5 146.12 55.06 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.704 1.201 . . . . 0.0 110.979 169.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -136.2 -41.65 0.65 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -149.88 144.76 18.0 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.18 154.77 56.98 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.657 2.238 . . . . 0.0 111.39 170.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp -74.1 153.24 39.67 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.95 0.9 . . . . 0.0 112.057 169.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -93.71 143.66 26.11 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.772 1.629 . . . . 0.0 111.509 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.151 0 C-N-CA 125.908 1.683 . . . . 0.0 113.051 173.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 22.3 m 60.81 174.12 0.1 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.386 1.875 . . . . 0.0 115.113 -176.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 78.1 p -76.07 -18.85 59.03 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -177.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 75.8 11.45 84.58 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.636 1.113 . . . . 0.0 115.234 -178.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 42.4 t -145.34 146.0 31.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.901 1.281 . . . . 0.0 112.183 178.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.1 m -78.32 -15.84 58.33 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.357 1.063 . . . . 0.0 113.341 174.257 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 65.04 19.07 65.46 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 124.451 1.024 . . . . 0.0 114.934 -179.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -78.61 156.52 29.06 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.125 1.37 . . . . 0.0 114.085 -170.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.8 172.76 12.95 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.93 1.292 . . . . 0.0 112.748 174.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.21 146.51 49.0 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.279 1.432 . . . . 0.0 110.806 173.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.01 11.5 3.35 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.029 2.131 . . . . 0.0 115.035 -173.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.33 153.43 42.66 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.493 1.117 . . . . 0.0 112.457 177.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.21 150.11 54.29 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.126 0.97 . . . . 0.0 112.624 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.53 -21.1 46.75 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 122.931 2.421 . . . . 0.0 113.608 -174.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -91.67 -4.64 54.92 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.141 1.776 . . . . 0.0 114.343 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -94.88 128.48 41.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.081 1.309 . . . . 0.0 113.055 -171.068 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -115.13 -1.45 13.0 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -175.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.15 -141.18 37.14 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.913 -1.117 . . . . 0.0 112.533 -177.032 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.62 56.56 5.64 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 124.487 3.458 . . . . 0.0 113.406 -175.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.4 141.27 45.1 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.798 1.239 . . . . 0.0 110.607 173.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.8 m -87.97 159.82 18.16 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.245 1.018 . . . . 0.0 111.799 173.33 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -51.41 -52.08 49.18 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.632 0.773 . . . . 0.0 112.651 176.006 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -57.11 -37.27 71.72 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -175.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.46 -42.56 74.72 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.202 1.001 . . . . 0.0 112.343 175.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.36 93.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.489 0.716 . . . . 0.0 111.991 174.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.89 -42.46 85.49 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.593 1.157 . . . . 0.0 112.342 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -65.05 -39.04 92.72 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.034 0.834 . . . . 0.0 111.952 175.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 m -70.21 -44.51 68.46 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mp -76.43 -17.62 59.24 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.7 tp -78.38 -30.19 47.76 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.733 0.813 . . . . 0.0 111.826 168.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -73.75 -33.48 64.31 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.548 1.139 . . . . 0.0 112.455 171.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -83.47 162.12 54.52 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.902 1.681 . . . . 0.0 113.299 178.345 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -73.71 166.96 28.44 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.335 2.69 . . . . 0.0 112.624 172.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.11 141.08 41.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.586 1.554 . . . . 0.0 113.128 175.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.7 2.17 89.9 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.646 1.117 . . . . 0.0 115.033 -177.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.4 m -75.35 129.81 37.98 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.324 1.062 . . . . 0.0 109.176 168.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -135.05 162.17 33.23 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -177.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.88 160.5 41.71 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.208 1.403 . . . . 0.0 111.036 174.702 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.6 t -122.75 138.68 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.257 1.023 . . . . 0.0 109.533 169.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -134.13 157.87 45.09 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.342 1.457 . . . . 0.0 111.612 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -63.9 135.35 56.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.192 0.997 . . . . 0.0 110.104 169.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 t -70.95 132.65 45.51 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -169.389 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 p -86.24 4.18 39.92 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.858 1.663 . . . . 0.0 113.892 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 t -144.62 125.8 14.65 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.942 1.297 . . . . 0.0 110.676 169.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.7 m 65.22 137.7 0.05 OUTLIER Pre-proline 0 N--CA 1.482 1.15 0 C-N-CA 127.589 2.355 . . . . 0.0 114.949 -168.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -77.52 158.78 32.46 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.687 2.924 . . . . 0.0 113.332 -175.243 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.56 -1.54 57.12 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.961 1.267 . . . . 0.0 116.085 173.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -99.69 166.42 11.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.299 1.44 . . . . 0.0 112.188 179.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -122.7 174.03 7.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.048 1.339 . . . . 0.0 111.369 173.168 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -138.36 128.11 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.623 1.169 . . . . 0.0 109.841 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -89.55 127.99 35.95 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.361 1.464 . . . . 0.0 107.963 170.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -119.87 137.81 53.79 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.472 0.709 . . . . 0.0 110.147 172.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 t -141.0 144.78 35.23 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.935 0.894 . . . . 0.0 112.23 -174.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.9 p -81.33 110.71 17.03 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.08 -1.013 . . . . 0.0 109.303 172.058 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -137.26 109.78 7.45 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -170.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 48.0 t30 54.75 57.67 5.49 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.614 1.966 . . . . 0.0 113.348 174.624 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.41 9.41 86.85 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 115.811 1.084 . . . . 0.0 115.811 172.327 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -143.56 177.78 8.24 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.241 2.216 . . . . 0.0 110.532 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.68 132.66 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.287 1.035 . . . . 0.0 110.348 173.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.7 p -110.48 158.47 18.47 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.327 1.851 . . . . 0.0 111.37 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -140.45 137.86 34.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.231 1.413 . . . . 0.0 111.028 -178.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -140.11 127.54 21.4 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.024 1.33 . . . . 0.0 111.758 -174.589 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -67.03 131.0 44.95 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.616 0.766 . . . . 0.0 111.632 176.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.3 mt -108.6 83.11 1.71 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.904 2.081 . . . . 0.0 106.325 169.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.7 m -82.87 137.59 34.21 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 124.55 1.14 . . . . 0.0 111.827 -171.378 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.57 129.27 34.93 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.3 0.64 . . . . 0.0 112.661 -177.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -135.46 111.78 9.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.388 1.475 . . . . 0.0 109.947 171.129 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 51.9 30.19 6.9 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.875 1.27 . . . . 0.0 114.269 -176.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.04 -7.56 77.25 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.921 1.724 . . . . 0.0 115.331 -176.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -86.65 162.32 18.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.489 1.516 . . . . 0.0 111.368 172.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.1 mm -112.51 112.35 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.912 1.685 . . . . 0.0 111.318 -169.386 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -95.82 127.61 42.0 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.315 1.846 . . . . 0.0 110.058 174.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 tt -142.62 130.55 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.319 1.047 . . . . 0.0 111.178 175.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t70 51.75 -93.0 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.069 1.748 . . . . 0.0 113.12 -169.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.5 p -129.77 8.34 5.3 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.825 2.05 . . . . 0.0 112.813 177.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -106.24 149.31 27.0 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.555 1.942 . . . . 0.0 111.024 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.1 tp -124.29 128.25 48.87 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.387 1.475 . . . . 0.0 110.005 172.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -124.32 156.15 37.47 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.061 1.744 . . . . 0.0 111.204 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.63 -34.22 77.4 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -156.76 172.56 18.39 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.306 1.442 . . . . 0.0 111.416 -172.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -48.51 81.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.133 0.973 . . . . 0.0 112.094 -177.386 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.21 -32.15 73.62 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.057 0.943 . . . . 0.0 112.683 -175.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.52 84.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.574 0.75 . . . . 0.0 112.571 171.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.66 79.83 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.554 0.616 . . . . 0.0 111.894 174.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.3 mm -57.87 -50.81 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 121.536 0.684 . . . . 0.0 109.987 172.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.3 m -59.45 -40.81 88.04 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.311 1.444 . . . . 0.0 112.138 -178.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.31 -46.44 90.29 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.419 -0.8 . . . . 0.0 111.835 173.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -78.06 -6.5 54.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.8 mmt -77.74 -37.52 49.08 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.903 -1.123 . . . . 0.0 110.058 166.625 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -85.92 -28.52 24.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.856 1.262 . . . . 0.0 113.502 -178.743 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -129.2 148.28 51.12 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.582 1.553 . . . . 0.0 111.786 -176.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.22 137.16 57.8 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.522 -0.736 . . . . 0.0 111.512 179.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 tt -75.5 -62.39 1.59 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.482 1.113 . . . . 0.0 110.584 -175.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -144.48 -46.04 0.25 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.703 1.201 . . . . 0.0 111.211 172.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -115.5 -31.39 5.91 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.944 1.698 . . . . 0.0 111.743 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -155.14 172.37 18.26 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.358 1.063 . . . . 0.0 113.119 175.357 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.0 m -83.96 156.78 22.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.094 1.358 . . . . 0.0 112.036 173.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.4 mt -63.32 146.03 54.33 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.417 1.087 . . . . 0.0 110.725 169.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -132.42 -42.41 0.95 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -177.264 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -154.87 147.66 17.94 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.26 149.2 35.31 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.787 2.324 . . . . 0.0 111.995 173.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.2 tp -72.57 146.12 46.93 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.703 0.801 . . . . 0.0 109.589 167.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -76.33 132.42 39.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.693 0.797 . . . . 0.0 111.472 -174.151 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.535 1.934 . . . . 0.0 112.33 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.963 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -60.99 -30.44 89.85 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 121.841 1.694 . . . . 0.0 112.703 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -80.27 -6.1 57.33 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -90.43 129.48 36.61 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 121.165 1.802 . . . . 0.0 112.709 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -121.76 8.36 9.99 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.728 1.611 . . . . 0.0 114.113 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.62 -144.66 45.88 Favored Glycine 0 CA--C 1.541 1.668 0 O-C-N 120.565 -1.334 . . . . 0.0 113.722 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.32 55.61 4.7 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.599 3.533 . . . . 0.0 113.48 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 tp -76.79 138.96 40.2 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.847 1.259 . . . . 0.0 110.688 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -81.02 163.04 23.54 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.259 -0.901 . . . . 0.0 112.827 173.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -55.47 -48.16 74.98 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.647 -0.658 . . . . 0.0 112.323 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 m -59.95 -39.17 84.66 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.394 0.678 . . . . 0.0 112.051 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.9 -42.26 63.75 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.754 1.621 . . . . 0.0 111.962 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.64 89.28 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.018 0.527 . . . . 0.0 111.496 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -67.76 -40.7 84.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.427 1.091 . . . . 0.0 112.278 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -71.91 -21.03 61.69 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.9 m -80.73 -53.63 6.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.152 0.981 . . . . 0.0 111.27 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.16 -30.24 63.43 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 118.113 -0.946 . . . . 0.0 113.485 -173.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.45 -16.87 63.17 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.784 1.175 . . . . 0.0 112.963 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -95.35 -14.22 24.07 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.316 1.446 . . . . 0.0 113.118 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mmm -101.59 157.56 33.44 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.195 1.798 . . . . 0.0 110.614 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -68.11 163.48 35.8 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 121.901 1.734 . . . . 0.0 111.672 172.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.44 139.4 57.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.908 1.683 . . . . 0.0 113.517 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.96 10.59 78.4 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.727 1.156 . . . . 0.0 113.979 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -83.03 130.44 35.14 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.324 1.062 . . . . 0.0 108.679 169.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -135.61 160.16 39.37 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -174.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -145.12 159.23 43.31 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.132 1.373 . . . . 0.0 111.025 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.0 t -121.02 137.75 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.698 1.199 . . . . 0.0 109.541 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -138.62 161.09 37.99 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.722 1.609 . . . . 0.0 111.305 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.28 146.96 52.35 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.26 1.024 . . . . 0.0 111.12 168.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.466 0.326 0 O-C-N 121.228 -0.92 . . . . 0.0 113.178 -165.441 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.258 0.552 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -118.19 171.24 8.25 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.106 -0.996 . . . . 0.0 112.125 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.95 128.86 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.064 1.346 . . . . 0.0 109.743 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.79 127.95 35.02 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.816 1.646 . . . . 0.0 107.864 166.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.7 m -117.64 140.77 49.19 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.197 0.999 . . . . 0.0 109.64 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 143.26 41.99 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.136 1.374 . . . . 0.0 113.039 -170.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.9 p -87.36 112.6 22.27 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.403 -0.81 . . . . 0.0 109.705 165.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -147.64 138.05 23.12 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.457 1.103 . . . . 0.0 111.121 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 50.76 46.81 25.47 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.863 1.265 . . . . 0.0 112.931 173.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.03 9.86 54.86 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.946 1.26 . . . . 0.0 116.063 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -135.22 -167.19 1.96 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.855 1.662 . . . . 0.0 110.682 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.0 t -122.03 136.71 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.133 0.973 . . . . 0.0 110.255 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.8 p -114.65 161.42 18.13 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.316 2.246 . . . . 0.0 111.018 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -144.88 131.34 19.77 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.301 1.04 . . . . 0.0 111.133 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -131.87 136.18 47.24 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.479 1.511 . . . . 0.0 110.036 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -82.61 135.94 34.93 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.337 -0.852 . . . . 0.0 111.68 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.8 mt -109.9 81.62 1.47 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.711 2.404 . . . . 0.0 106.755 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.9 m -78.87 145.65 34.05 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.162 0.985 . . . . 0.0 111.591 -173.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.42 124.57 32.16 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -136.45 107.88 6.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.493 1.117 . . . . 0.0 109.73 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.253 36.8 mt-10 48.9 31.83 3.43 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -171.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.34 -4.28 84.22 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 120.818 -1.176 . . . . 0.0 114.87 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -94.78 174.85 6.9 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.613 1.965 . . . . 0.0 110.862 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.2 mm -112.28 115.73 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.204 1.402 . . . . 0.0 110.711 -171.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -98.11 130.07 44.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.528 1.531 . . . . 0.0 109.888 172.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tt -142.24 127.17 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.131 0.972 . . . . 0.0 110.557 173.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 t70 46.71 -115.12 0.57 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.24 0.616 . . . . 0.0 109.862 -160.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.7 p -93.68 -20.48 20.13 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.755 1.622 . . . . 0.0 113.223 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -77.13 146.67 37.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.579 1.552 . . . . 0.0 112.756 -171.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -124.97 124.68 42.53 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.344 1.058 . . . . 0.0 110.484 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -122.03 153.36 38.7 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.759 1.624 . . . . 0.0 110.815 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.04 -36.78 84.7 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -157.33 173.74 16.47 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.451 1.5 . . . . 0.0 110.932 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.04 -40.78 98.72 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.75 -33.54 74.09 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.904 0.774 . . . . 0.0 112.112 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.26 90.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.463 0.705 . . . . 0.0 112.804 169.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.32 80.72 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.677 0.671 . . . . 0.0 112.02 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.5 mm -62.71 -47.68 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.71 -0.619 . . . . 0.0 110.664 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.8 m -61.08 -39.54 90.31 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.462 0.705 . . . . 0.0 111.998 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -58.38 -45.14 88.89 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.151 0.887 . . . . 0.0 112.189 175.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -82.22 6.66 15.99 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.1 mtt -87.25 -41.44 13.69 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.04 -1.038 . . . . 0.0 111.258 160.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -73.89 -33.42 64.01 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.046 0.938 . . . . 0.0 112.551 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -122.65 156.98 33.21 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.279 1.432 . . . . 0.0 111.971 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -71.53 146.56 48.41 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.461 -0.774 . . . . 0.0 111.513 172.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.83 -55.79 3.49 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.414 1.086 . . . . 0.0 111.343 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -152.49 -46.49 0.1 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.248 1.419 . . . . 0.0 110.897 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -119.37 -20.11 7.99 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -160.02 174.96 13.56 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.873 1.269 . . . . 0.0 109.988 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.9 p -90.4 160.37 16.1 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.966 0.889 . . . . 0.0 112.333 166.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.5 mt -65.48 138.76 58.31 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.256 1.422 . . . . 0.0 110.612 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -126.08 -37.44 2.25 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -176.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -157.38 145.17 13.95 Favored Pre-proline 0 CA--C 1.546 0.806 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.1 140.7 34.88 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.964 2.443 . . . . 0.0 112.015 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 CA--C 1.539 0.544 0 O-C-N 121.609 -0.682 . . . . 0.0 110.797 169.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.859 0 CA-C-O 119.131 -0.462 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -63.79 -32.44 67.4 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 122.809 2.34 . . . . 0.0 113.15 -170.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -77.28 -10.71 59.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.377 1.471 . . . . 0.0 114.194 174.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -86.21 132.06 34.09 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.52 1.509 . . . . 0.0 111.741 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -121.72 3.7 10.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.836 1.655 . . . . 0.0 114.426 -176.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -137.41 32.31 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 120.796 -1.19 . . . . 0.0 113.597 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.72 50.21 3.17 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 124.713 3.609 . . . . 0.0 113.668 -173.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 tp -74.14 151.83 39.98 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.88 1.272 . . . . 0.0 110.726 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.7 m -106.86 162.74 13.54 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.003 1.321 . . . . 0.0 111.958 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -52.99 -47.17 68.44 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.824 0.849 . . . . 0.0 112.636 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.1 m -59.89 -38.58 82.67 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.811 0.844 . . . . 0.0 112.4 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.18 -39.5 65.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.039 0.936 . . . . 0.0 112.034 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.66 99.9 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.452 0.701 . . . . 0.0 111.892 173.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.78 -48.81 77.52 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.383 1.073 . . . . 0.0 111.893 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.78 -31.09 72.16 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.629 0.649 . . . . 0.0 112.541 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -71.01 -48.51 52.73 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.533 0.606 . . . . 0.0 112.096 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.41 -26.76 35.13 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -173.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.8 tp -63.8 -24.99 67.98 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.313 0.96 . . . . 0.0 112.373 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -88.73 -11.67 44.45 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.511 1.525 . . . . 0.0 113.744 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.1 mmm -100.36 161.45 24.03 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.591 1.557 . . . . 0.0 113.362 -176.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.53 164.77 24.99 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.448 2.765 . . . . 0.0 112.675 171.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.64 140.38 51.29 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.116 1.367 . . . . 0.0 112.756 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.64 11.46 85.24 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.202 0.906 . . . . 0.0 114.057 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.8 m -74.64 127.22 32.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.112 0.956 . . . . 0.0 109.004 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -132.81 160.07 37.96 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.55 159.42 43.14 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 125.037 1.335 . . . . 0.0 110.959 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -126.17 138.41 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 124.816 1.246 . . . . 0.0 109.727 170.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -136.74 160.4 38.96 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.131 1.372 . . . . 0.0 111.977 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.3 133.67 56.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.845 0.858 . . . . 0.0 110.439 169.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -169.001 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 . . . . . 0 CA--C 1.543 0.673 0 CA-C-O 121.297 0.57 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -127.82 170.3 12.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.166 1.386 . . . . 0.0 112.077 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -137.04 130.0 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.509 1.123 . . . . 0.0 110.111 176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -90.73 131.93 36.11 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.992 1.717 . . . . 0.0 108.603 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -123.41 141.73 51.7 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.538 0.735 . . . . 0.0 110.536 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.4 t -142.59 145.84 33.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.017 0.927 . . . . 0.0 112.651 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 p -82.88 102.33 11.58 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 122.423 1.106 . . . . 0.0 110.574 173.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.39 141.31 49.84 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.683 1.193 . . . . 0.0 112.648 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.55 35.7 21.53 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.506 1.522 . . . . 0.0 113.539 170.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.48 9.22 77.6 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.37 0.908 . . . . 0.0 115.37 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -131.09 -169.17 2.12 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.209 2.204 . . . . 0.0 111.024 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.34 130.94 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.576 1.15 . . . . 0.0 110.069 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.0 p -106.27 158.36 16.92 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.198 1.799 . . . . 0.0 111.379 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -142.12 138.48 31.68 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.055 1.342 . . . . 0.0 111.585 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -142.42 129.01 20.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.386 1.474 . . . . 0.0 112.108 -175.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -76.93 129.87 36.75 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.573 -0.704 . . . . 0.0 111.437 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.55 104.98 15.43 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.952 2.101 . . . . 0.0 107.568 170.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -94.81 141.08 29.04 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.308 1.443 . . . . 0.0 111.962 -171.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.53 122.25 32.52 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.656 -0.653 . . . . 0.0 111.554 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -136.62 126.86 26.4 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.756 1.222 . . . . 0.0 110.509 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 51.93 28.76 5.41 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.257 1.423 . . . . 0.0 114.674 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.27 84.87 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.497 1.522 . . . . 0.0 115.273 -176.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.36 158.94 15.21 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.315 1.846 . . . . 0.0 111.848 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.2 mm -92.92 118.55 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 125.322 1.449 . . . . 0.0 109.932 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -103.4 148.33 26.03 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.911 1.684 . . . . 0.0 110.885 170.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.9 tt -149.35 116.8 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.386 1.074 . . . . 0.0 109.017 169.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.3 t0 52.55 -102.09 0.13 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.647 1.579 . . . . 0.0 112.73 -168.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.9 p -109.95 -0.98 17.96 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.928 1.691 . . . . 0.0 113.734 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -92.1 148.47 22.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.777 1.631 . . . . 0.0 110.676 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.7 tp -137.45 135.11 36.56 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.42 1.488 . . . . 0.0 111.283 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -140.47 156.88 46.21 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.366 1.867 . . . . 0.0 111.861 -173.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.13 -36.49 84.44 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.486 -0.759 . . . . 0.0 113.036 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -156.35 172.41 18.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.232 1.413 . . . . 0.0 112.386 -172.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.02 -42.32 99.76 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.08 0.952 . . . . 0.0 113.026 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.51 -35.58 80.93 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.828 0.74 . . . . 0.0 112.203 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.53 89.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.939 0.896 . . . . 0.0 112.628 172.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.98 90.42 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.202 0.601 . . . . 0.0 112.347 175.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.33 -50.31 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.28 1.032 . . . . 0.0 110.482 171.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.1 m -59.73 -38.85 82.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.73 1.212 . . . . 0.0 112.409 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.16 -43.02 87.2 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.068 -1.02 . . . . 0.0 111.998 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -80.64 6.22 13.29 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.1 mtt -96.93 -37.77 10.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.507 1.123 . . . . 0.0 109.846 166.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -74.52 -29.24 61.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.631 1.172 . . . . 0.0 113.024 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -129.28 159.41 36.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.231 1.812 . . . . 0.0 111.536 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -75.88 145.84 40.22 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.959 -1.088 . . . . 0.0 111.5 174.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.68 -64.82 1.09 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.762 1.225 . . . . 0.0 110.863 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -139.93 -51.52 0.5 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.47 1.108 . . . . 0.0 111.726 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -111.84 -34.51 5.99 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.104 1.362 . . . . 0.0 111.622 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 t -154.19 -174.95 5.17 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.864 1.266 . . . . 0.0 112.063 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 61.6 p -85.81 169.29 13.5 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.524 1.529 . . . . 0.0 113.025 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.7 mt -76.07 134.43 40.06 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.412 1.485 . . . . 0.0 108.964 168.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -126.95 -37.81 2.08 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -169.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -152.37 146.44 18.38 Favored Pre-proline 0 N--CA 1.474 0.73 0 CA-C-N 118.933 0.788 . . . . 0.0 112.821 172.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.6 147.19 50.91 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.35 2.033 . . . . 0.0 111.341 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 tp . . . . . 0 CA--C 1.547 0.831 0 O-C-N 121.663 -0.648 . . . . 0.0 110.317 169.109 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.924 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -63.95 -28.18 66.66 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.961 2.441 . . . . 0.0 113.506 -173.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -74.73 -10.63 59.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.792 1.237 . . . . 0.0 114.282 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -85.77 131.73 34.26 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.392 1.451 . . . . 0.0 111.711 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -123.13 8.45 9.21 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.61 1.564 . . . . 0.0 114.409 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.08 -145.4 42.94 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 120.757 -1.214 . . . . 0.0 113.575 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.92 54.9 5.06 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 124.458 3.439 . . . . 0.0 113.159 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.55 143.35 48.33 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.687 1.195 . . . . 0.0 110.36 172.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -91.74 160.71 15.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.43 1.092 . . . . 0.0 111.941 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -50.72 -52.84 36.54 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.775 0.83 . . . . 0.0 112.688 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 m -58.18 -34.77 70.69 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -73.66 -42.39 61.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.396 1.078 . . . . 0.0 112.433 174.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.04 99.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.522 0.729 . . . . 0.0 111.971 174.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.29 -45.06 81.72 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.813 1.245 . . . . 0.0 111.811 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -64.52 -30.01 71.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.963 0.801 . . . . 0.0 112.935 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -73.67 -50.51 20.58 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.267 0.627 . . . . 0.0 111.583 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.3 -28.01 53.16 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -174.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.5 tp -64.77 -24.36 67.53 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.322 0.965 . . . . 0.0 112.331 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -91.04 -10.91 40.44 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.499 1.52 . . . . 0.0 113.812 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.5 mmm -97.35 161.68 25.23 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.525 1.53 . . . . 0.0 113.041 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.76 163.56 30.13 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.287 2.658 . . . . 0.0 112.382 170.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.32 143.96 51.7 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.602 1.161 . . . . 0.0 112.717 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.37 9.56 86.84 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.198 0.904 . . . . 0.0 114.431 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.6 m -77.17 128.75 34.94 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.405 1.103 . . . . 0.0 109.537 169.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -135.24 160.09 39.48 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -146.42 158.5 43.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.269 1.427 . . . . 0.0 110.602 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 t -123.8 137.68 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 124.565 1.146 . . . . 0.0 109.644 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -137.51 156.13 48.48 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.223 1.409 . . . . 0.0 111.73 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.07 134.5 55.07 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.12 0.568 . . . . 0.0 109.62 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -167.806 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 . . . . . 0 CA--C 1.54 0.594 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -126.51 167.66 15.32 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -169.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.07 128.29 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.865 1.266 . . . . 0.0 109.867 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.5 tp -88.66 122.72 32.4 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.482 1.513 . . . . 0.0 107.9 169.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 m -112.1 137.4 50.21 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.281 0.632 . . . . 0.0 109.756 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.5 t -139.88 143.23 36.61 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.047 0.939 . . . . 0.0 112.087 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 p -80.38 112.84 18.1 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.194 -0.941 . . . . 0.0 109.351 170.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.52 136.98 38.16 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.619 1.168 . . . . 0.0 112.656 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 55.32 33.08 19.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.368 1.467 . . . . 0.0 113.958 172.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.04 7.75 86.74 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.667 1.127 . . . . 0.0 115.194 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 -170.45 2.45 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.965 2.106 . . . . 0.0 111.094 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.6 t -119.7 135.95 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.115 0.966 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.1 p -117.22 158.1 24.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.577 1.951 . . . . 0.0 111.316 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -139.73 136.6 34.34 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.085 1.354 . . . . 0.0 111.243 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -138.19 124.26 20.23 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.167 1.387 . . . . 0.0 111.541 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -78.57 138.17 38.24 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.411 0.684 . . . . 0.0 112.533 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -118.93 100.81 7.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.495 2.318 . . . . 0.0 107.638 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.6 m -94.03 139.88 30.4 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.352 1.061 . . . . 0.0 111.71 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.07 122.21 29.77 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.689 -0.632 . . . . 0.0 111.824 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -131.23 119.79 22.32 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.136 1.374 . . . . 0.0 109.937 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 51.38 30.44 6.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.089 1.355 . . . . 0.0 113.675 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.74 0.38 87.83 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.709 1.623 . . . . 0.0 115.427 -176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -101.77 160.83 14.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.315 1.846 . . . . 0.0 111.562 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.4 mm -98.78 111.83 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.661 1.584 . . . . 0.0 111.678 -169.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -96.86 121.96 39.3 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.615 1.966 . . . . 0.0 110.281 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 tt -141.31 125.67 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.606 1.162 . . . . 0.0 110.355 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.1 t0 45.86 -112.57 0.36 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.478 1.511 . . . . 0.0 112.833 -172.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.5 p -97.5 -1.74 43.43 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.222 1.409 . . . . 0.0 114.108 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -95.95 168.3 10.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.905 1.682 . . . . 0.0 112.257 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 tp -145.79 128.36 16.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.576 1.55 . . . . 0.0 108.904 169.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -125.86 153.89 43.47 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.462 1.505 . . . . 0.0 111.366 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.97 -35.54 80.87 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -157.35 172.36 18.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.645 1.578 . . . . 0.0 111.516 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.48 -41.73 98.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.807 0.843 . . . . 0.0 112.985 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.87 -35.32 80.24 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.407 -0.808 . . . . 0.0 112.205 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.62 93.69 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.791 0.836 . . . . 0.0 112.59 171.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.01 82.82 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.166 0.586 . . . . 0.0 111.997 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.4 mm -57.78 -49.1 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.035 0.934 . . . . 0.0 110.558 173.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.1 m -60.72 -41.66 95.74 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.584 1.154 . . . . 0.0 112.168 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.43 -43.65 93.05 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.088 -1.007 . . . . 0.0 111.66 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -78.08 3.32 15.24 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.1 mtt -95.05 -38.64 10.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.503 1.121 . . . . 0.0 110.032 166.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -74.46 -28.79 61.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.562 1.145 . . . . 0.0 113.038 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -130.02 157.5 42.19 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.258 1.823 . . . . 0.0 111.289 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -74.38 144.49 44.37 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.061 -1.025 . . . . 0.0 111.592 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -82.6 -64.66 1.13 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.699 1.2 . . . . 0.0 110.867 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -139.72 -55.22 0.56 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.678 1.191 . . . . 0.0 111.588 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -104.64 -35.68 7.73 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.004 1.322 . . . . 0.0 111.569 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 t -153.83 178.4 9.95 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.499 1.119 . . . . 0.0 112.636 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.5 p -80.98 164.54 22.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.653 1.581 . . . . 0.0 112.995 171.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.4 mt -73.14 138.69 45.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.39 1.476 . . . . 0.0 109.439 168.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -130.78 -39.94 1.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -170.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -150.02 144.42 17.6 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 118.794 0.725 . . . . 0.0 112.938 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.46 149.23 55.84 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.405 2.07 . . . . 0.0 111.164 172.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.3 tp . . . . . 0 CA--C 1.546 0.82 0 O-C-N 121.556 -0.715 . . . . 0.0 110.522 169.391 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 CA-C-O 119.358 -0.353 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.83 -23.71 41.17 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.062 2.508 . . . . 0.0 113.336 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -86.91 -5.81 58.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.609 1.563 . . . . 0.0 114.406 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -89.13 130.49 35.56 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.553 1.524 . . . . 0.0 112.479 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -121.16 8.57 10.36 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.262 1.425 . . . . 0.0 114.284 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.74 -145.24 46.59 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 120.939 -1.1 . . . . 0.0 113.101 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -77.8 55.26 5.17 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 124.417 3.412 . . . . 0.0 113.047 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -72.83 141.72 48.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.633 1.173 . . . . 0.0 110.572 174.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.2 m -88.2 160.3 17.78 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.036 0.935 . . . . 0.0 112.367 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -50.8 -54.05 26.83 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.833 0.853 . . . . 0.0 112.559 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -58.42 -36.18 73.23 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -175.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -70.59 -43.73 68.77 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.125 0.97 . . . . 0.0 112.357 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.74 99.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.501 0.72 . . . . 0.0 112.072 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -67.3 -44.78 78.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.755 1.222 . . . . 0.0 111.99 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -65.93 -33.61 76.23 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.236 0.925 . . . . 0.0 112.35 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.2 m -67.43 -47.55 69.87 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.449 0.568 . . . . 0.0 111.917 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.01 -26.92 43.23 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -64.91 -27.13 68.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.505 1.048 . . . . 0.0 112.292 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -85.65 -11.94 52.59 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.099 1.359 . . . . 0.0 113.665 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.0 mmm -99.48 162.02 22.65 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 125.995 1.718 . . . . 0.0 112.508 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.97 163.03 39.94 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.778 2.319 . . . . 0.0 112.114 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.52 138.17 52.23 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.502 1.121 . . . . 0.0 112.253 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.42 4.24 77.22 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.777 1.18 . . . . 0.0 115.273 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.4 m -76.18 129.78 37.26 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.892 0.877 . . . . 0.0 109.291 169.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -134.29 162.6 31.72 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -175.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -148.16 159.3 44.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.373 1.469 . . . . 0.0 111.002 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -122.88 137.61 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.671 1.188 . . . . 0.0 109.856 170.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ptt85 -136.79 153.91 50.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.213 1.405 . . . . 0.0 111.671 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.67 134.79 53.99 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.323 0.649 . . . . 0.0 109.628 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 122.266 1.032 . . . . 0.0 113.592 -169.206 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -121.33 169.78 10.26 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.205 -0.934 . . . . 0.0 112.292 -175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.9 t -137.38 128.03 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.811 1.244 . . . . 0.0 109.92 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 tp -87.92 120.99 29.8 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.781 1.632 . . . . 0.0 108.014 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 m -112.43 136.15 52.27 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.688 0.795 . . . . 0.0 109.745 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 t -140.35 142.99 35.52 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.017 0.927 . . . . 0.0 111.848 -174.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 p -78.96 113.43 17.07 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.008 -1.058 . . . . 0.0 109.014 170.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -140.81 141.3 34.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.149 0.979 . . . . 0.0 112.471 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 56.58 34.48 24.5 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.929 1.292 . . . . 0.0 113.789 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.96 7.86 71.84 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.32 0.962 . . . . 0.0 115.044 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -130.68 -169.28 2.12 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.286 2.235 . . . . 0.0 110.887 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -121.57 133.99 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.412 1.085 . . . . 0.0 110.044 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.5 p -114.05 156.74 23.58 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.505 1.922 . . . . 0.0 111.082 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -138.71 136.06 35.41 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.895 1.278 . . . . 0.0 111.182 -177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -138.55 123.47 18.89 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.27 1.428 . . . . 0.0 110.727 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -81.4 136.0 35.68 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.34 -0.85 . . . . 0.0 112.25 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -108.39 94.3 4.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.679 2.391 . . . . 0.0 107.401 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.5 m -86.24 135.54 33.52 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 124.949 1.3 . . . . 0.0 111.544 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.43 122.86 25.12 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.398 0.679 . . . . 0.0 110.748 172.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -132.65 104.22 6.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.043 1.737 . . . . 0.0 109.081 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 51.54 31.75 8.02 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.992 1.317 . . . . 0.0 113.998 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.17 -1.82 87.61 Favored Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.922 1.725 . . . . 0.0 115.44 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -101.7 170.01 8.45 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.215 1.806 . . . . 0.0 111.367 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.0 mm -104.79 116.83 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.017 1.327 . . . . 0.0 111.272 -170.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -103.03 128.39 49.9 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.622 1.569 . . . . 0.0 109.995 171.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 tt -139.29 127.0 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.956 1.302 . . . . 0.0 110.302 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.6 t70 55.51 -88.98 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.001 1.72 . . . . 0.0 111.854 -167.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.7 p -126.71 -12.81 5.99 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.606 1.563 . . . . 0.0 113.167 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -81.17 137.47 35.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.767 1.627 . . . . 0.0 111.192 -174.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.9 tp -109.39 134.1 52.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.009 1.324 . . . . 0.0 111.18 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -133.49 155.42 49.59 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 126.591 1.956 . . . . 0.0 111.096 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.99 -35.84 81.67 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -156.65 172.41 18.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.537 1.535 . . . . 0.0 111.709 -173.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.22 -42.89 99.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.735 0.814 . . . . 0.0 112.897 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.08 -35.25 80.15 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.564 -0.71 . . . . 0.0 112.377 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.11 91.34 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.58 0.752 . . . . 0.0 112.707 171.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.91 86.05 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.125 0.57 . . . . 0.0 112.17 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.25 -50.29 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.918 0.887 . . . . 0.0 110.389 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.5 m -59.11 -39.0 80.94 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.797 1.239 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -60.52 -46.06 91.53 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.148 -0.97 . . . . 0.0 111.756 173.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -78.37 -5.32 51.93 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.4 mmt -78.86 -37.21 40.9 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.889 -1.132 . . . . 0.0 109.901 166.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -82.74 -37.89 24.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.018 1.327 . . . . 0.0 112.666 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -117.98 150.78 38.68 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.731 1.612 . . . . 0.0 111.952 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.48 138.4 55.19 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.081 -1.012 . . . . 0.0 111.505 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.82 -62.53 1.66 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.751 1.22 . . . . 0.0 110.651 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -142.95 -52.44 0.38 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.643 1.177 . . . . 0.0 111.54 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -110.08 -31.91 7.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.111 1.364 . . . . 0.0 111.857 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -152.49 173.97 14.48 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.757 1.223 . . . . 0.0 112.419 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.9 p -85.12 160.79 19.87 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.77 1.228 . . . . 0.0 111.618 169.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.61 138.0 58.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.357 1.063 . . . . 0.0 110.399 173.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -117.48 -45.18 2.72 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.893 0.877 . . . . 0.0 112.882 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -155.71 147.98 17.56 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 123.799 0.839 . . . . 0.0 113.256 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -70.31 148.03 60.6 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.446 2.097 . . . . 0.0 111.086 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.2 tp . . . . . 0 CA--C 1.542 0.655 0 O-C-N 121.619 -0.676 . . . . 0.0 110.232 169.761 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.958 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.16 -22.39 40.86 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.703 2.269 . . . . 0.0 112.893 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -94.69 -7.02 41.92 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.745 1.618 . . . . 0.0 114.776 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -89.08 132.83 34.61 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.42 1.464 . . . . 0.0 112.514 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -122.51 3.86 9.63 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.514 1.526 . . . . 0.0 114.422 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.74 -139.59 37.09 Favored Glycine 0 CA--C 1.538 1.516 0 CA-C-O 118.563 -1.132 . . . . 0.0 113.261 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -77.39 48.92 2.7 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 124.826 3.684 . . . . 0.0 113.809 -174.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.45 142.29 48.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.007 1.323 . . . . 0.0 110.457 174.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -95.06 169.53 10.05 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.722 0.809 . . . . 0.0 112.126 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -54.54 -52.27 62.59 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.76 0.824 . . . . 0.0 112.123 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 m -58.9 -36.31 74.49 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.358 0.526 . . . . 0.0 112.356 -175.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -71.75 -42.99 66.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.072 0.949 . . . . 0.0 112.162 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.08 99.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.611 0.764 . . . . 0.0 112.124 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.68 -47.71 80.1 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.378 1.471 . . . . 0.0 111.635 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.57 -33.2 75.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.874 0.761 . . . . 0.0 112.351 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -70.24 -48.61 56.15 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.462 0.574 . . . . 0.0 112.236 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mp -79.52 -25.91 41.63 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.63 -26.39 67.04 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.601 1.091 . . . . 0.0 112.208 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.49 -13.0 53.19 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.155 1.382 . . . . 0.0 113.467 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mmm -98.18 162.12 23.12 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 126.105 1.762 . . . . 0.0 112.522 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -71.4 163.93 37.42 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.884 2.389 . . . . 0.0 112.06 171.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.44 140.49 50.33 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.904 1.282 . . . . 0.0 112.255 174.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.11 2.54 80.45 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.077 1.322 . . . . 0.0 115.272 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.4 m -77.62 132.7 38.38 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.357 1.079 . . . . 0.0 110.061 169.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.72 161.94 34.56 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.45 160.61 42.39 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.272 1.429 . . . . 0.0 111.325 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.6 t -123.44 138.32 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.594 1.158 . . . . 0.0 110.037 170.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -137.76 155.01 49.51 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.348 1.459 . . . . 0.0 111.609 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.4 134.29 56.24 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.637 0.775 . . . . 0.0 109.641 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 122.46 1.124 . . . . 0.0 113.891 -168.881 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -127.77 167.76 16.06 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.174 -0.954 . . . . 0.0 112.622 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.2 t -136.42 129.64 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.809 1.244 . . . . 0.0 109.855 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.9 tp -90.4 124.73 35.19 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.048 1.739 . . . . 0.0 107.733 169.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.6 m -118.68 135.77 54.29 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.744 0.818 . . . . 0.0 110.267 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 65.6 m -138.83 138.41 37.49 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.35 1.06 . . . . 0.0 112.385 -170.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 p -78.26 106.77 10.4 Favored 'General case' 0 CA--C 1.527 0.071 0 C-N-CA 123.856 0.862 . . . . 0.0 108.968 169.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -143.17 149.41 37.99 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.05 0.94 . . . . 0.0 112.949 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 56.84 32.68 21.81 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.269 1.428 . . . . 0.0 113.832 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.92 11.22 78.43 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.604 1.097 . . . . 0.0 114.969 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -136.74 -170.13 2.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.317 2.247 . . . . 0.0 110.798 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.82 139.88 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.463 1.105 . . . . 0.0 109.718 171.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.9 p -127.98 156.91 41.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.818 1.647 . . . . 0.0 111.066 -172.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -137.6 140.71 41.11 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.755 1.222 . . . . 0.0 111.707 -174.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -140.31 125.3 18.45 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.726 1.61 . . . . 0.0 110.415 -174.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -81.29 135.78 35.74 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.493 -0.754 . . . . 0.0 112.672 -173.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mt -111.79 95.99 5.81 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.249 2.219 . . . . 0.0 107.607 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.7 m -91.5 136.01 33.43 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.648 1.179 . . . . 0.0 111.726 -173.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.2 129.35 34.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.483 0.713 . . . . 0.0 112.338 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -133.15 107.72 8.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.368 1.467 . . . . 0.0 109.94 170.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 51.83 30.41 7.0 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.833 1.253 . . . . 0.0 114.111 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.0 -9.29 77.39 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 126.177 1.846 . . . . 0.0 115.383 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.11 159.52 22.07 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.876 1.338 . . . . 0.0 111.524 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mm -108.15 112.08 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 126.067 1.747 . . . . 0.0 110.575 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -96.54 127.96 43.02 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.031 1.732 . . . . 0.0 109.976 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.9 tt -144.22 127.81 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.151 0.98 . . . . 0.0 111.668 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 55.59 -75.23 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.777 2.431 . . . . 0.0 114.701 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 t -142.05 -2.75 1.13 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.52 1.928 . . . . 0.0 112.84 175.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -100.01 150.67 22.2 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.635 1.974 . . . . 0.0 110.934 -174.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.0 tp -128.03 131.68 49.16 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.439 1.496 . . . . 0.0 110.654 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -131.38 157.48 43.29 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.672 1.589 . . . . 0.0 112.19 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.28 -35.77 82.05 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -157.44 173.05 17.5 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.53 1.532 . . . . 0.0 112.206 -173.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.86 -43.52 98.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.143 0.977 . . . . 0.0 113.095 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.39 -34.99 78.94 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.392 -0.817 . . . . 0.0 112.337 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.48 89.97 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.831 0.853 . . . . 0.0 112.603 172.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.99 81.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.279 0.631 . . . . 0.0 112.088 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.8 mm -57.57 -50.57 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.13 0.972 . . . . 0.0 110.498 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.1 m -60.64 -42.02 96.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.583 1.153 . . . . 0.0 112.178 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -58.84 -43.23 90.68 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.177 -0.952 . . . . 0.0 111.706 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -77.87 4.37 12.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 55.2 mtt -96.71 -36.06 10.8 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.5 1.12 . . . . 0.0 110.188 166.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.61 -28.89 56.3 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.261 1.024 . . . . 0.0 113.076 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -131.1 159.48 37.5 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.37 1.868 . . . . 0.0 111.558 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -73.7 144.11 45.91 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.049 -1.032 . . . . 0.0 111.751 175.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tt -83.01 -63.41 1.37 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.675 1.19 . . . . 0.0 110.618 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -144.51 -65.57 0.35 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.317 1.447 . . . . 0.0 110.338 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -89.78 -35.11 15.9 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.273 1.029 . . . . 0.0 112.809 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -158.97 -176.59 5.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.811 1.644 . . . . 0.0 111.141 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 p -89.87 159.52 16.93 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.634 1.574 . . . . 0.0 112.143 169.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.8 mt -66.33 137.88 57.22 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.065 1.346 . . . . 0.0 110.92 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -113.88 -46.88 2.99 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -152.22 145.73 17.81 Favored Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.79 141.8 31.05 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.837 2.358 . . . . 0.0 111.56 173.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.0 tp . . . . . 0 CA--C 1.54 0.593 0 O-C-N 121.624 -0.673 . . . . 0.0 109.435 168.944 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.32 -22.65 52.68 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.18 2.587 . . . . 0.0 113.767 -171.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -83.51 -7.5 59.52 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.318 1.447 . . . . 0.0 114.461 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -88.62 131.0 35.15 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.62 1.555 . . . . 0.0 112.56 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -122.85 8.29 9.37 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.408 1.483 . . . . 0.0 114.618 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.82 -142.04 39.31 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 120.74 -1.225 . . . . 0.0 113.574 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -77.6 51.51 3.59 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 124.811 3.674 . . . . 0.0 113.415 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.36 141.16 48.76 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.056 1.343 . . . . 0.0 110.697 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.2 p -83.61 167.67 17.08 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.624 -0.672 . . . . 0.0 112.352 174.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -57.23 -50.92 71.36 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.758 -0.589 . . . . 0.0 110.797 168.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -57.87 -40.45 80.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.696 0.798 . . . . 0.0 112.371 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -67.85 -42.88 80.66 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.359 0.664 . . . . 0.0 112.17 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.18 99.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.517 0.727 . . . . 0.0 112.151 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.48 -45.08 85.05 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.496 1.118 . . . . 0.0 112.019 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -64.96 -33.1 75.23 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.94 0.791 . . . . 0.0 112.299 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -70.61 -50.45 36.92 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.239 0.616 . . . . 0.0 111.934 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 46' ' ' CYS . 7.0 mp -77.43 -21.73 52.58 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -175.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.1 tp -70.45 -28.29 64.9 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.399 1.0 . . . . 0.0 112.249 171.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -79.1 -32.98 44.81 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.304 1.042 . . . . 0.0 112.498 173.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.6 mmm -78.63 161.48 69.24 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 125.51 1.524 . . . . 0.0 113.117 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.67 162.29 40.0 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.217 2.611 . . . . 0.0 112.236 173.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -57.37 132.86 54.35 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.955 1.302 . . . . 0.0 112.14 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.31 0.19 59.77 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.426 1.489 . . . . 0.0 114.475 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 m -74.9 131.9 41.06 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.825 0.85 . . . . 0.0 109.33 169.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -136.56 162.16 33.88 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -148.79 158.75 44.38 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.943 1.297 . . . . 0.0 111.054 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.6 t -122.9 138.85 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.786 1.234 . . . . 0.0 109.915 170.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -139.27 155.86 47.45 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.215 1.406 . . . . 0.0 111.77 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.97 135.31 57.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.484 0.714 . . . . 0.0 109.699 169.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.466 0.331 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -168.632 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -126.74 167.97 15.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.104 0.961 . . . . 0.0 112.273 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -138.43 130.95 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.759 1.224 . . . . 0.0 110.03 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.6 tp -92.09 121.11 33.33 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.426 1.89 . . . . 0.0 108.31 170.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -113.08 134.98 54.28 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.677 0.791 . . . . 0.0 110.027 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.4 ' C ' HD23 ' A' ' 22' ' ' LEU . 77.4 m -136.55 142.68 43.43 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.546 1.138 . . . . 0.0 112.481 -172.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.9 p -81.8 112.39 18.9 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.304 -0.873 . . . . 0.0 108.784 169.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -138.53 134.86 34.44 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.131 0.973 . . . . 0.0 112.558 -174.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.5 t30 52.63 37.58 23.76 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.395 1.478 . . . . 0.0 113.851 170.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.5 7.16 78.43 Favored Glycine 0 CA--C 1.541 1.682 0 N-CA-C 115.565 0.986 . . . . 0.0 115.565 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -127.48 -172.26 2.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.041 2.137 . . . . 0.0 110.96 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -120.51 135.1 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.459 1.104 . . . . 0.0 110.066 173.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 p -117.88 157.77 26.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.622 1.969 . . . . 0.0 111.192 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -138.0 136.53 37.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.963 1.305 . . . . 0.0 111.1 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -136.7 126.26 25.27 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.446 1.498 . . . . 0.0 111.021 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.95 128.14 33.11 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.549 -0.719 . . . . 0.0 111.644 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.3 87.08 2.95 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.216 2.206 . . . . 0.0 107.286 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 m -82.65 139.41 33.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 125.12 1.368 . . . . 0.0 111.733 -174.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.2 127.9 32.95 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.176 0.591 . . . . 0.0 111.223 173.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -139.73 108.08 5.82 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.489 1.516 . . . . 0.0 109.726 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 53.26 30.65 10.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.888 1.275 . . . . 0.0 113.962 -175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.93 -0.53 89.65 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.954 1.74 . . . . 0.0 115.306 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -102.76 173.93 6.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.675 1.99 . . . . 0.0 111.143 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.4 mm -107.11 119.53 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.151 1.381 . . . . 0.0 111.239 -171.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -105.14 129.47 53.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.722 1.609 . . . . 0.0 109.941 171.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.19 125.51 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.006 1.322 . . . . 0.0 109.778 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 53.36 -101.58 0.12 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.011 1.324 . . . . 0.0 111.174 -167.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.0 p -109.96 -15.17 14.13 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.998 1.319 . . . . 0.0 113.783 170.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -80.94 134.23 35.68 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.546 1.538 . . . . 0.0 111.417 -172.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.7 tp -105.76 134.25 49.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.671 1.188 . . . . 0.0 110.806 170.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -131.92 154.67 49.02 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.736 2.014 . . . . 0.0 110.872 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.64 -36.08 82.67 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -156.42 172.16 18.99 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.506 1.522 . . . . 0.0 111.658 -173.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.34 -43.29 99.12 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.775 0.83 . . . . 0.0 112.949 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -63.82 -35.6 81.17 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.634 -0.666 . . . . 0.0 112.334 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.34 93.34 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.704 0.802 . . . . 0.0 112.602 172.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.53 87.41 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.237 0.615 . . . . 0.0 112.154 176.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.61 -49.08 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.09 0.956 . . . . 0.0 110.452 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.1 m -59.35 -41.16 88.55 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.433 1.093 . . . . 0.0 112.242 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.11 -43.98 91.96 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.118 -0.989 . . . . 0.0 111.789 175.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -79.57 2.34 22.62 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 51.7 mtt -92.14 -37.5 12.7 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.26 1.024 . . . . 0.0 109.895 166.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -76.55 -28.94 56.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.602 1.161 . . . . 0.0 113.115 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.85 156.54 44.2 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.09 1.756 . . . . 0.0 111.622 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.73 144.67 47.56 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.948 -1.095 . . . . 0.0 111.656 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tt -83.19 -62.55 1.56 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.755 1.222 . . . . 0.0 110.866 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -144.0 -54.57 0.36 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.234 1.014 . . . . 0.0 111.687 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.59 -30.92 7.17 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.507 1.523 . . . . 0.0 111.913 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -149.35 176.01 10.93 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.053 1.341 . . . . 0.0 112.26 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.3 p -89.92 167.44 12.81 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.235 1.414 . . . . 0.0 111.787 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 mt -72.66 124.37 25.15 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.324 1.05 . . . . 0.0 109.783 170.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -110.07 -42.55 4.16 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.087 0.955 . . . . 0.0 112.948 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -155.31 146.88 16.93 Favored Pre-proline 0 N--CA 1.472 0.669 0 C-N-CA 123.775 0.83 . . . . 0.0 113.102 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -70.48 145.93 54.36 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.472 2.115 . . . . 0.0 110.927 170.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 tp . . . . . 0 CA--C 1.542 0.642 0 O-C-N 121.559 -0.713 . . . . 0.0 110.381 169.805 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -67.22 -16.76 49.37 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.174 2.583 . . . . 0.0 113.667 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -96.59 -3.07 43.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.369 1.867 . . . . 0.0 114.195 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -90.48 130.68 36.51 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 120.273 1.397 . . . . 0.0 112.941 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -118.83 -0.0 11.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.406 1.483 . . . . 0.0 114.729 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.41 -139.44 35.53 Favored Glycine 0 CA--C 1.54 1.649 0 CA-C-O 118.308 -1.273 . . . . 0.0 113.419 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -65.21 32.48 0.1 Allowed 'Trans proline' 0 CA--C 1.552 1.375 1 C-N-CA 125.848 4.366 . . . . 0.0 117.947 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.13 137.95 56.7 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.161 1.385 . . . . 0.0 111.264 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -94.1 173.36 7.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.083 0.953 . . . . 0.0 112.371 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -54.5 -55.98 23.51 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.984 0.914 . . . . 0.0 111.88 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 m -59.37 -35.43 73.9 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -173.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -69.98 -41.03 74.98 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.9 0.88 . . . . 0.0 112.51 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.92 84.03 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.722 0.809 . . . . 0.0 112.034 173.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -64.68 -47.33 78.77 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.472 1.509 . . . . 0.0 111.763 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -66.79 -16.92 64.6 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.1 m -86.88 -54.37 4.39 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.178 0.991 . . . . 0.0 111.743 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.68 -24.08 61.77 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -175.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.0 -27.07 67.85 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.252 0.933 . . . . 0.0 112.584 172.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -86.14 -22.57 26.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.924 1.29 . . . . 0.0 112.823 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.0 mmm -86.13 161.19 50.19 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 125.985 1.714 . . . . 0.0 112.36 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.23 162.44 41.63 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 122.778 2.318 . . . . 0.0 111.817 172.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -54.4 141.43 30.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.734 1.214 . . . . 0.0 112.252 172.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.51 2.7 82.07 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.224 0.916 . . . . 0.0 114.859 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -79.5 131.17 35.97 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.375 1.087 . . . . 0.0 109.245 169.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -138.79 163.01 33.32 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -150.27 158.19 43.89 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.152 1.381 . . . . 0.0 110.995 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.0 t -122.78 138.41 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.496 1.119 . . . . 0.0 109.986 172.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -141.25 160.26 40.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.16 1.384 . . . . 0.0 112.05 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.99 139.52 58.41 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.379 1.071 . . . . 0.0 111.44 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -171.391 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 CA--C 1.544 0.713 0 CA-C-O 121.457 0.646 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -129.81 174.01 10.12 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.256 1.422 . . . . 0.0 111.785 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.37 127.96 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.808 1.243 . . . . 0.0 110.173 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.7 tp -89.6 123.33 33.57 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.651 1.58 . . . . 0.0 108.041 169.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -116.04 134.16 55.25 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.863 0.865 . . . . 0.0 110.062 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -137.41 144.15 42.25 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.399 1.08 . . . . 0.0 112.591 -170.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.5 p -81.79 115.1 20.85 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 168.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -143.03 136.22 28.19 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.693 1.197 . . . . 0.0 112.217 -174.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 t30 52.84 37.34 23.86 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.934 1.694 . . . . 0.0 113.989 172.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.1 7.93 72.71 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -130.03 -170.4 2.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.286 2.234 . . . . 0.0 110.791 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.15 136.81 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.541 1.136 . . . . 0.0 110.279 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.4 p -120.6 159.16 25.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.692 1.997 . . . . 0.0 111.371 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -140.21 138.13 34.87 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.977 1.311 . . . . 0.0 111.358 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -138.56 127.94 24.49 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.246 1.419 . . . . 0.0 111.895 -174.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -73.14 129.46 38.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.96 0.904 . . . . 0.0 111.431 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.48 97.24 7.1 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.526 1.931 . . . . 0.0 107.497 169.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.1 m -88.23 133.49 34.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.76 1.224 . . . . 0.0 111.359 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.92 125.22 28.94 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.794 -0.566 . . . . 0.0 110.59 172.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -137.24 108.32 6.76 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.636 1.574 . . . . 0.0 109.458 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.6 33.08 7.52 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.265 1.426 . . . . 0.0 114.699 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.86 88.58 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 125.965 1.745 . . . . 0.0 115.397 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -102.83 174.5 5.85 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.089 2.156 . . . . 0.0 111.103 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.3 mm -110.37 121.56 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.544 1.537 . . . . 0.0 111.056 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -105.33 130.49 53.44 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.959 1.704 . . . . 0.0 109.943 171.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.8 tt -139.28 126.8 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.745 1.218 . . . . 0.0 110.167 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.2 t70 55.37 -89.65 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.968 1.707 . . . . 0.0 111.878 -167.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.5 p -125.26 -13.43 6.7 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.442 1.497 . . . . 0.0 113.347 169.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -79.79 134.39 36.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.623 1.569 . . . . 0.0 111.041 -174.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.74 134.29 49.1 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.588 1.155 . . . . 0.0 111.103 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -132.39 155.33 48.65 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 127.065 2.146 . . . . 0.0 110.627 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.01 -35.2 79.91 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -156.74 172.66 18.22 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.347 1.459 . . . . 0.0 111.598 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.0 mt -60.77 -43.26 98.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.768 0.827 . . . . 0.0 112.733 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.01 -35.27 80.15 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.528 -0.733 . . . . 0.0 112.298 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.82 90.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.65 0.78 . . . . 0.0 112.627 172.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.53 85.18 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.493 0.588 . . . . 0.0 112.111 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.3 mm -59.04 -49.84 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.844 0.857 . . . . 0.0 110.292 172.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.6 m -59.25 -38.47 80.13 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.76 1.224 . . . . 0.0 112.422 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -61.45 -46.74 88.79 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.121 -0.987 . . . . 0.0 111.794 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.78 -6.33 51.82 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.4 mmt -75.86 -35.34 59.94 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.76 -1.212 . . . . 0.0 110.136 166.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -88.79 -29.02 20.07 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.996 1.318 . . . . 0.0 113.322 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.18 150.46 48.3 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.608 1.563 . . . . 0.0 112.002 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.53 138.66 55.33 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.006 -1.059 . . . . 0.0 111.503 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -79.79 -62.07 1.8 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.745 1.218 . . . . 0.0 110.579 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -144.25 -50.3 0.29 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.515 1.126 . . . . 0.0 111.543 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -111.48 -33.21 6.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.326 1.45 . . . . 0.0 111.658 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.0 t -152.53 175.03 13.19 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.813 1.245 . . . . 0.0 112.706 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.9 p -89.03 164.09 15.23 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.741 1.616 . . . . 0.0 112.381 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.8 mt -70.12 145.44 51.57 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.315 1.046 . . . . 0.0 110.75 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -128.65 -41.02 1.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -153.22 145.31 16.93 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.09 149.93 37.06 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.76 2.307 . . . . 0.0 111.709 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 166.969 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 CA-C-O 118.943 -0.551 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -59.76 -30.14 91.32 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.532 2.821 . . . . 0.0 114.413 -168.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -76.43 -9.34 58.57 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.717 1.376 . . . . 0.0 114.717 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -85.19 131.84 34.37 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.642 1.564 . . . . 0.0 112.527 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -122.66 7.92 9.47 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.382 1.473 . . . . 0.0 114.414 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.74 -145.92 46.03 Favored Glycine 0 CA--C 1.539 1.594 0 O-C-N 120.884 -1.135 . . . . 0.0 113.622 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -67.36 39.21 0.17 Allowed 'Trans proline' 0 CA--C 1.549 1.259 1 C-N-CA 125.598 4.199 . . . . 0.0 117.0 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.8 142.18 57.45 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.679 1.192 . . . . 0.0 111.15 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.3 m -96.23 163.71 12.98 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.49 1.116 . . . . 0.0 112.015 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -49.47 -55.72 12.24 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.102 0.961 . . . . 0.0 113.029 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -58.89 -34.37 71.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -72.01 -44.5 63.32 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.064 0.945 . . . . 0.0 112.122 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.3 99.12 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.696 0.798 . . . . 0.0 112.143 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.18 -41.74 94.3 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.657 1.183 . . . . 0.0 112.04 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -63.71 -31.71 72.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.335 0.971 . . . . 0.0 113.403 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.8 m -75.47 -53.79 8.09 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.923 0.783 . . . . 0.0 111.533 172.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -70.72 -24.18 62.6 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.9 tp -70.17 -26.74 64.05 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.133 0.879 . . . . 0.0 112.362 173.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -88.56 -25.29 22.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.006 1.322 . . . . 0.0 112.99 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.6 mmm -79.55 160.82 69.04 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.488 1.515 . . . . 0.0 112.924 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -72.04 163.3 39.21 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.291 2.661 . . . . 0.0 112.331 172.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.79 138.95 55.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.812 1.245 . . . . 0.0 112.509 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 2.13 76.81 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.734 1.159 . . . . 0.0 115.019 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.3 m -77.55 132.27 38.26 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.312 1.056 . . . . 0.0 109.333 169.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -139.38 161.63 36.99 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.6 158.93 44.22 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.973 1.309 . . . . 0.0 111.171 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.91 137.83 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.887 1.275 . . . . 0.0 109.751 172.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -136.26 154.02 51.02 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.239 1.416 . . . . 0.0 111.671 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.97 133.72 55.74 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 169.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.233 0.206 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -167.734 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -128.39 168.15 15.98 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.315 -0.865 . . . . 0.0 112.499 -175.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -137.49 129.85 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.856 1.263 . . . . 0.0 109.832 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.1 tp -90.63 124.2 34.87 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 126.034 1.734 . . . . 0.0 108.161 170.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 m -114.75 134.08 55.39 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.032 0.933 . . . . 0.0 109.719 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -137.15 140.07 41.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.421 1.089 . . . . 0.0 112.355 -172.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 p -81.69 107.97 14.87 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.666 0.786 . . . . 0.0 109.253 169.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -141.4 147.64 38.32 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.26 1.024 . . . . 0.0 112.72 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 57.05 33.3 23.13 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.233 1.413 . . . . 0.0 113.692 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.75 8.26 67.47 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.503 1.049 . . . . 0.0 114.89 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -130.82 -168.58 2.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.874 2.07 . . . . 0.0 111.068 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.21 136.59 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.627 1.171 . . . . 0.0 109.79 173.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.9 p -126.79 158.69 35.93 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.556 1.543 . . . . 0.0 111.599 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -134.44 140.08 45.99 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.108 1.363 . . . . 0.0 111.599 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -138.98 125.61 20.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.398 1.479 . . . . 0.0 110.826 -173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -78.79 130.07 35.33 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.463 -0.773 . . . . 0.0 111.81 -175.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 mt -104.54 91.31 3.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.306 2.243 . . . . 0.0 107.407 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -85.66 136.42 33.38 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.889 1.275 . . . . 0.0 111.575 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.51 126.91 31.65 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.294 0.638 . . . . 0.0 110.899 173.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -137.8 101.9 4.58 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.328 1.451 . . . . 0.0 109.794 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 53.34 30.83 10.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.787 1.235 . . . . 0.0 113.876 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.64 -6.02 84.08 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 126.141 1.829 . . . . 0.0 115.384 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.22 168.47 11.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.899 1.68 . . . . 0.0 111.657 171.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.4 mm -106.29 117.46 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.786 1.634 . . . . 0.0 110.307 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -102.51 128.9 48.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.827 1.651 . . . . 0.0 109.921 172.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.4 tt -139.31 126.19 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.718 1.207 . . . . 0.0 110.202 175.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t70 54.89 -89.13 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.99 1.716 . . . . 0.0 112.055 -167.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.2 p -125.13 -13.59 6.74 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.549 1.539 . . . . 0.0 113.438 169.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -80.44 139.01 36.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.718 1.607 . . . . 0.0 111.102 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.5 tp -114.23 133.83 55.35 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.317 1.447 . . . . 0.0 111.174 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -133.36 156.34 47.81 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.09 1.756 . . . . 0.0 111.753 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -64.4 -36.66 84.87 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -157.05 173.0 17.68 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.404 1.481 . . . . 0.0 111.867 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -62.06 -43.6 98.48 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.921 0.888 . . . . 0.0 113.131 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.72 -34.67 78.4 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.464 -0.772 . . . . 0.0 112.241 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.04 89.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.87 0.868 . . . . 0.0 112.534 172.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.03 87.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.268 0.627 . . . . 0.0 112.128 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.6 mm -59.56 -50.61 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.993 0.917 . . . . 0.0 110.35 171.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.5 m -58.82 -38.9 79.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.924 1.289 . . . . 0.0 112.385 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -59.61 -45.02 93.17 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.177 -0.952 . . . . 0.0 111.77 173.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -78.99 -5.74 54.61 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.9 mmt -77.59 -37.14 51.08 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.843 -1.161 . . . . 0.0 109.905 166.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -85.97 -28.82 23.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.924 1.29 . . . . 0.0 113.476 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -128.48 146.72 50.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.441 1.496 . . . . 0.0 111.877 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.21 136.28 55.67 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.485 -0.76 . . . . 0.0 111.419 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 tt -78.36 -60.46 2.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.37 1.068 . . . . 0.0 110.96 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.05 -50.13 0.43 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.547 1.139 . . . . 0.0 111.317 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -116.39 -32.34 5.3 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.957 1.703 . . . . 0.0 111.799 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -154.56 175.41 13.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.925 1.29 . . . . 0.0 112.995 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.9 m -84.86 158.01 20.75 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.183 1.393 . . . . 0.0 112.048 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.38 146.57 50.94 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.644 1.177 . . . . 0.0 110.907 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -131.95 -41.29 1.03 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -153.8 143.67 15.34 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.58 142.93 41.23 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.615 2.21 . . . . 0.0 110.899 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 CA--C 1.545 0.754 0 O-C-N 121.584 -0.697 . . . . 0.0 109.822 168.727 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -63.5 -25.36 70.23 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 122.612 2.208 . . . . 0.0 112.985 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 -90.58 -9.26 47.75 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.664 1.586 . . . . 0.0 114.933 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -89.47 117.62 28.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.513 1.506 . . . . 0.0 112.563 -175.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -105.18 0.59 27.47 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.811 1.645 . . . . 0.0 113.978 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.25 -132.87 33.33 Favored Glycine 0 CA--C 1.537 1.417 0 CA-C-O 118.286 -1.285 . . . . 0.0 113.542 175.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -76.78 44.68 1.48 Allowed 'Trans proline' 0 CA--C 1.547 1.134 0 C-N-CA 124.757 3.638 . . . . 0.0 113.966 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.45 143.44 44.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.877 1.271 . . . . 0.0 110.616 173.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.6 m -96.19 162.27 13.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.747 1.219 . . . . 0.0 111.792 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -50.2 -52.97 31.25 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.816 0.846 . . . . 0.0 112.776 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 m -58.61 -34.54 71.24 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -175.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -74.07 -41.97 60.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.424 1.09 . . . . 0.0 112.451 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.61 98.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.591 0.756 . . . . 0.0 111.775 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.91 -44.4 80.82 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.897 1.279 . . . . 0.0 111.884 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -63.78 -28.8 70.12 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.108 0.867 . . . . 0.0 113.12 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 m -76.09 -53.68 7.96 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.34 0.656 . . . . 0.0 111.639 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 mp -74.06 -23.49 59.38 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 tp -70.7 -26.96 63.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.338 0.972 . . . . 0.0 112.408 172.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -86.85 -26.72 23.88 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.811 1.244 . . . . 0.0 112.953 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mmm -77.7 160.74 73.9 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.158 1.383 . . . . 0.0 112.767 174.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -70.97 164.43 35.76 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.154 2.569 . . . . 0.0 112.289 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.41 141.1 48.5 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.197 1.399 . . . . 0.0 112.64 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.85 2.88 86.16 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.159 1.361 . . . . 0.0 115.22 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -77.15 130.14 36.92 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.355 1.078 . . . . 0.0 109.974 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -135.04 161.77 34.37 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.58 160.63 42.43 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.295 1.438 . . . . 0.0 111.006 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.6 t -123.31 137.37 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.752 1.221 . . . . 0.0 109.796 171.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.0 ptt85 -136.88 160.39 39.03 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.94 1.296 . . . . 0.0 112.031 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.14 134.71 56.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.254 1.021 . . . . 0.0 110.556 169.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.469 0.486 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -169.16 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 . . . . . 0 CA--C 1.543 0.68 0 CA-C-O 121.267 0.556 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -126.77 169.92 12.7 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.175 1.39 . . . . 0.0 112.117 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.3 t -137.19 129.56 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.67 1.188 . . . . 0.0 109.885 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.3 tp -90.36 125.09 35.42 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 125.609 1.563 . . . . 0.0 107.676 169.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 m -115.17 139.03 50.27 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.563 0.745 . . . . 0.0 109.818 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 t -142.86 137.72 29.77 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.785 0.834 . . . . 0.0 111.826 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -76.52 109.27 10.12 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 124.035 0.934 . . . . 0.0 109.084 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -143.34 144.32 32.04 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.9 t30 54.43 39.57 31.11 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.101 1.76 . . . . 0.0 113.687 171.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.22 8.81 75.7 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.525 1.059 . . . . 0.0 115.255 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -135.13 -172.1 2.97 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.855 2.062 . . . . 0.0 111.203 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.9 t -116.28 138.15 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.562 1.145 . . . . 0.0 109.452 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.5 p -123.34 153.49 40.23 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.629 1.572 . . . . 0.0 110.88 -173.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -138.35 139.93 39.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.74 1.216 . . . . 0.0 111.647 -173.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -141.6 124.21 15.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.412 1.485 . . . . 0.0 110.751 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -78.24 135.68 37.63 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.266 -0.897 . . . . 0.0 112.17 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.6 mt -112.76 95.15 5.26 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.589 2.356 . . . . 0.0 107.502 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.1 m -91.14 144.05 26.04 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.396 1.079 . . . . 0.0 112.102 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.65 124.16 28.3 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.794 -0.566 . . . . 0.0 111.243 173.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -136.49 109.51 7.69 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.652 1.581 . . . . 0.0 109.441 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 52.96 30.3 9.14 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.02 1.328 . . . . 0.0 113.796 -171.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.91 -0.03 87.64 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.796 1.665 . . . . 0.0 115.267 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -101.07 167.1 10.45 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.321 1.848 . . . . 0.0 111.258 175.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.3 mm -97.0 108.4 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.165 1.386 . . . . 0.0 110.977 -170.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -96.85 128.64 44.01 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.932 1.693 . . . . 0.0 110.333 175.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 tt -143.86 114.28 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.303 1.041 . . . . 0.0 110.142 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 t0 49.0 -118.09 1.03 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.099 1.359 . . . . 0.0 112.483 -170.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 42.5 p -87.1 -2.51 58.68 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.176 1.391 . . . . 0.0 113.995 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -100.4 145.66 27.94 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.454 1.502 . . . . 0.0 111.547 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.4 tp -128.88 128.54 44.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.634 1.574 . . . . 0.0 109.604 170.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -125.62 153.79 43.26 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.125 1.77 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.53 -36.05 82.66 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -156.14 171.8 19.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.614 1.565 . . . . 0.0 111.627 -174.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.03 -41.98 99.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.85 0.86 . . . . 0.0 112.976 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.4 -36.04 82.4 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.586 -0.696 . . . . 0.0 112.239 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.4 93.88 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.842 0.857 . . . . 0.0 112.58 172.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.57 76.81 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.326 0.651 . . . . 0.0 111.917 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.3 mm -56.91 -49.43 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.144 0.978 . . . . 0.0 110.58 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.6 m -60.87 -42.72 98.46 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.759 1.223 . . . . 0.0 112.116 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -59.71 -43.76 93.99 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.233 -0.917 . . . . 0.0 111.522 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -76.95 -0.01 22.73 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.6 mtt -92.47 -37.75 12.35 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.533 1.133 . . . . 0.0 110.399 166.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.93 -33.66 59.86 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.7 1.2 . . . . 0.0 112.52 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -128.64 153.5 47.22 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.284 1.834 . . . . 0.0 111.457 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.4 140.45 57.17 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.41 -0.806 . . . . 0.0 111.647 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tt -79.25 -62.11 1.8 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.68 1.192 . . . . 0.0 110.506 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.03 -63.32 0.32 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.299 1.439 . . . . 0.0 110.644 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -92.31 -34.07 14.36 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.411 1.084 . . . . 0.0 112.79 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -160.05 -175.49 5.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.001 1.72 . . . . 0.0 111.056 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.4 m -86.62 155.39 20.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.585 1.554 . . . . 0.0 112.04 170.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.98 140.73 58.32 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.654 1.182 . . . . 0.0 110.682 169.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -118.29 -46.68 2.59 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -151.61 144.49 16.96 Favored Pre-proline 0 N--CA 1.475 0.793 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -73.9 140.89 29.36 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.999 2.466 . . . . 0.0 111.54 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.1 tp . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 123.548 0.739 . . . . 0.0 111.009 170.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.927 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -66.21 -23.42 52.45 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.998 2.465 . . . . 0.0 113.644 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -84.72 -7.16 59.32 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.335 1.454 . . . . 0.0 114.315 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -89.58 129.56 36.02 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.617 1.553 . . . . 0.0 112.284 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -122.74 9.89 9.57 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.091 1.356 . . . . 0.0 114.301 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.76 -142.47 43.72 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-O 118.66 -1.078 . . . . 0.0 113.288 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -77.64 54.89 4.97 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.429 3.42 . . . . 0.0 113.23 -176.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.88 136.7 43.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.632 1.173 . . . . 0.0 110.586 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.4 m -82.63 159.94 22.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.783 0.833 . . . . 0.0 112.051 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -50.94 -53.82 29.56 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.589 0.756 . . . . 0.0 112.388 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -58.2 -36.28 72.87 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.23 -43.8 69.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.143 0.977 . . . . 0.0 112.287 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.9 99.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.414 0.686 . . . . 0.0 112.017 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.97 -43.55 78.72 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.728 1.211 . . . . 0.0 112.358 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -65.77 -34.45 78.2 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.366 0.984 . . . . 0.0 112.107 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -67.52 -50.47 58.6 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.029 0.531 . . . . 0.0 111.794 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.68 -22.94 53.29 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -72.45 -28.15 62.75 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.301 0.955 . . . . 0.0 112.248 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -78.54 -33.09 48.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.348 1.059 . . . . 0.0 112.455 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.6 mmm -77.09 161.66 72.5 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.29 1.436 . . . . 0.0 113.103 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.46 164.16 36.43 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.207 2.605 . . . . 0.0 112.651 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -54.53 132.34 44.67 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.486 1.514 . . . . 0.0 112.266 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.41 3.32 65.01 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.413 1.482 . . . . 0.0 114.912 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.7 m -75.67 131.81 40.15 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.794 0.838 . . . . 0.0 109.736 169.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -133.93 161.84 33.67 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -148.24 160.73 42.65 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.975 1.31 . . . . 0.0 111.394 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.82 138.22 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 124.901 1.281 . . . . 0.0 109.988 171.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -138.67 155.3 48.39 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.501 1.52 . . . . 0.0 111.572 -176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.7 135.08 56.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.483 0.713 . . . . 0.0 109.808 169.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 122.184 0.992 . . . . 0.0 113.613 -168.952 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 120.985 0.421 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -122.82 167.7 13.19 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.493 1.117 . . . . 0.0 111.972 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.27 129.96 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.928 1.291 . . . . 0.0 109.825 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.7 tp -91.03 125.35 35.8 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 126.229 1.812 . . . . 0.0 108.058 169.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -115.15 138.91 50.37 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.919 0.887 . . . . 0.0 109.897 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.5 t -144.43 139.22 28.23 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.884 0.873 . . . . 0.0 112.402 -175.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 p -79.7 100.99 8.15 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.376 1.07 . . . . 0.0 110.494 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -138.56 154.16 48.72 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -177.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 56.65 30.45 17.47 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.46 1.504 . . . . 0.0 113.844 172.325 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.22 12.31 79.64 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.189 0.899 . . . . 0.0 114.77 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -136.13 -166.65 1.91 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.848 2.459 . . . . 0.0 110.255 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.76 138.77 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.363 1.065 . . . . 0.0 109.312 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.1 p -122.43 154.59 37.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.829 1.652 . . . . 0.0 111.115 -173.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -137.05 140.46 42.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.78 1.232 . . . . 0.0 111.726 -175.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -141.45 128.9 21.27 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.642 1.577 . . . . 0.0 110.476 -174.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -76.63 131.26 38.76 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.206 -0.934 . . . . 0.0 112.408 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 mt -103.92 89.82 3.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.246 2.218 . . . . 0.0 107.256 170.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.9 m -85.26 136.98 33.27 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.668 1.587 . . . . 0.0 111.937 -172.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.14 128.49 33.81 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.53 -0.731 . . . . 0.0 111.329 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -142.48 110.42 5.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.114 1.366 . . . . 0.0 110.141 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.62 32.56 6.95 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.254 1.422 . . . . 0.0 114.748 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.28 -2.64 88.05 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 126.033 1.778 . . . . 0.0 115.354 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.18 167.15 11.05 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.696 1.999 . . . . 0.0 111.792 173.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.7 mm -104.82 116.45 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.967 1.707 . . . . 0.0 110.307 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -98.18 139.38 34.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.582 1.553 . . . . 0.0 110.999 170.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 tt -152.59 129.36 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.979 0.912 . . . . 0.0 111.366 174.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 55.48 -75.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.69 2.396 . . . . 0.0 114.533 -172.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.7 t -140.81 -4.85 1.19 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.491 1.916 . . . . 0.0 112.957 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -96.3 157.28 15.97 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.619 1.968 . . . . 0.0 111.41 -174.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.8 tp -133.1 134.22 43.97 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.639 1.576 . . . . 0.0 110.688 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -135.14 156.37 49.11 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.017 1.727 . . . . 0.0 112.136 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.94 -36.37 83.74 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -156.7 172.83 17.91 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.379 1.472 . . . . 0.0 112.179 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.63 -43.15 99.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.134 0.974 . . . . 0.0 113.167 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.88 -35.02 79.28 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.531 -0.73 . . . . 0.0 112.401 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.87 91.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.826 0.85 . . . . 0.0 112.608 172.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.94 83.98 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.342 0.657 . . . . 0.0 112.164 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.56 -51.06 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.197 0.999 . . . . 0.0 110.484 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -60.07 -42.01 93.63 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.593 1.157 . . . . 0.0 112.172 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -58.0 -43.76 86.84 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.199 -0.938 . . . . 0.0 111.713 173.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -78.19 2.31 18.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.2 mtt -93.5 -35.65 12.83 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.25 1.02 . . . . 0.0 110.247 166.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.33 -28.8 47.37 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.348 1.059 . . . . 0.0 113.237 175.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -131.87 151.76 51.48 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.972 1.709 . . . . 0.0 111.638 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.87 140.2 56.54 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.535 -0.728 . . . . 0.0 111.669 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tt -81.27 -61.82 1.84 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.471 1.108 . . . . 0.0 110.731 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.4 -70.23 0.36 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.246 1.418 . . . . 0.0 110.322 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -90.61 -31.4 16.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.135 0.974 . . . . 0.0 113.135 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 t -158.23 -178.11 7.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.465 1.506 . . . . 0.0 111.578 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.7 m -85.84 157.06 20.31 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.592 1.557 . . . . 0.0 111.89 170.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.6 138.87 58.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.399 1.08 . . . . 0.0 110.647 169.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -114.46 -49.71 2.82 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -152.26 147.4 19.57 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -70.37 150.0 63.85 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.374 2.05 . . . . 0.0 111.175 171.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.9 tp . . . . . 0 CA--C 1.542 0.65 0 O-C-N 121.494 -0.754 . . . . 0.0 109.589 169.235 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -65.29 -23.01 59.75 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.097 2.532 . . . . 0.0 113.545 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -86.61 -5.93 59.0 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.655 1.582 . . . . 0.0 114.379 174.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -90.57 131.48 36.27 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.605 1.548 . . . . 0.0 112.673 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -124.19 10.75 8.74 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.384 1.474 . . . . 0.0 114.589 -175.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.1 -146.02 45.57 Favored Glycine 0 CA--C 1.539 1.558 0 O-C-N 120.682 -1.261 . . . . 0.0 113.944 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -66.99 37.32 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.207 1 C-N-CA 125.71 4.273 . . . . 0.0 117.095 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 tp -65.05 140.78 58.87 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.986 1.314 . . . . 0.0 110.961 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -93.86 170.61 9.43 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.854 0.862 . . . . 0.0 112.03 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -54.07 -53.82 47.92 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.913 0.885 . . . . 0.0 111.928 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -58.74 -37.18 75.62 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.087 0.555 . . . . 0.0 112.467 -173.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -69.57 -43.63 72.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.105 0.962 . . . . 0.0 112.239 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.71 97.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.535 0.734 . . . . 0.0 112.086 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -64.72 -45.58 85.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.14 1.376 . . . . 0.0 111.763 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.93 -34.12 77.39 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.036 0.835 . . . . 0.0 112.225 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.9 m -69.2 -49.12 59.5 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.081 0.552 . . . . 0.0 112.048 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.96 -23.35 44.63 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.9 tp -70.56 -27.1 63.88 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.482 1.037 . . . . 0.0 112.167 171.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -78.53 -33.04 48.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.504 1.121 . . . . 0.0 112.611 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.4 mmm -78.06 161.73 69.78 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.45 1.5 . . . . 0.0 113.114 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.83 163.57 38.05 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.259 2.639 . . . . 0.0 112.531 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -54.46 132.77 45.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.372 1.469 . . . . 0.0 112.08 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.31 2.24 64.01 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.088 1.328 . . . . 0.0 114.937 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.6 m -75.65 134.23 40.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.835 0.854 . . . . 0.0 109.597 169.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -137.25 162.62 33.02 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -148.26 159.53 43.89 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.074 1.35 . . . . 0.0 111.341 174.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.0 139.72 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 124.776 1.231 . . . . 0.0 109.936 170.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -139.46 154.71 47.8 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.311 1.444 . . . . 0.0 111.718 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.72 133.94 55.56 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 168.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--O 1.234 0.274 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 -167.441 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -126.87 165.96 18.37 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.179 -0.951 . . . . 0.0 112.681 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -137.47 130.33 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.977 1.311 . . . . 0.0 109.818 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HB2' HD11 ' A' ' 57' ' ' LEU . 43.8 tp -92.16 124.23 36.09 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 126.076 1.75 . . . . 0.0 108.142 170.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -116.18 135.78 53.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.88 0.872 . . . . 0.0 109.972 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.0 m -137.99 141.64 40.45 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.32 1.048 . . . . 0.0 112.509 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.0 p -82.61 101.98 11.14 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.093 0.957 . . . . 0.0 110.027 172.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -139.93 151.86 45.92 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 56.57 30.68 17.72 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.194 1.398 . . . . 0.0 113.84 170.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.41 12.5 80.08 Favored Glycine 0 CA--C 1.54 1.641 0 C-N-CA 124.391 0.996 . . . . 0.0 114.913 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -137.46 -167.28 2.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.722 2.409 . . . . 0.0 110.512 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.61 135.61 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.399 1.08 . . . . 0.0 109.469 170.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.0 p -121.84 158.98 27.72 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.42 1.488 . . . . 0.0 111.53 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -133.91 141.14 47.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.155 1.382 . . . . 0.0 111.307 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -138.34 126.92 23.41 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.576 1.55 . . . . 0.0 110.73 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -74.53 127.95 34.35 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.534 -0.729 . . . . 0.0 111.869 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 44' ' ' LEU . 16.3 mt -105.61 80.44 1.56 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.038 2.135 . . . . 0.0 107.231 169.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.9 m -78.71 141.43 37.91 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.102 1.361 . . . . 0.0 111.816 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.16 129.22 34.23 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.773 -0.579 . . . . 0.0 111.34 174.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -141.51 112.09 7.07 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.442 1.497 . . . . 0.0 109.754 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 52.35 31.16 9.06 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.028 1.331 . . . . 0.0 114.429 -176.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.21 2.02 90.5 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.685 1.612 . . . . 0.0 115.196 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -109.15 174.43 5.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.118 2.167 . . . . 0.0 111.117 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.4 mm -105.6 119.97 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.114 1.366 . . . . 0.0 111.19 -171.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -105.29 128.36 53.42 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.874 1.669 . . . . 0.0 109.909 171.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.3 tt -139.18 122.08 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.166 1.386 . . . . 0.0 109.508 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.4 t70 51.88 -113.97 0.78 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.32 1.048 . . . . 0.0 110.367 -167.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.3 p -93.66 -18.59 21.98 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.654 1.116 . . . . 0.0 113.904 171.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -79.41 134.95 36.57 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.37 1.468 . . . . 0.0 111.778 -170.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.9 tp -108.62 132.96 53.37 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.837 1.255 . . . . 0.0 110.48 169.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -130.25 153.81 48.23 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 126.662 1.985 . . . . 0.0 110.846 177.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -65.31 -36.25 83.48 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -156.4 172.48 18.44 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.545 1.538 . . . . 0.0 111.617 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.21 -42.4 99.27 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.735 0.814 . . . . 0.0 113.087 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.27 -35.52 81.11 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.623 -0.673 . . . . 0.0 112.196 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.28 93.36 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.71 0.804 . . . . 0.0 112.642 172.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.37 80.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.239 0.615 . . . . 0.0 112.085 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -58.27 -49.13 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.893 0.877 . . . . 0.0 110.548 173.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.7 m -60.02 -40.6 89.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.683 1.193 . . . . 0.0 112.184 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.96 -45.3 95.31 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.183 -0.948 . . . . 0.0 111.599 173.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -77.27 -4.87 47.11 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 177.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.9 mmt -80.23 -38.19 31.55 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.849 -1.157 . . . . 0.0 110.06 166.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.37 -29.06 26.55 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.894 1.278 . . . . 0.0 113.481 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -128.51 155.17 45.28 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.95 1.7 . . . . 0.0 111.715 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.25 138.99 52.1 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.086 -1.009 . . . . 0.0 111.675 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 tt -80.35 -61.13 2.07 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.799 1.24 . . . . 0.0 110.468 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -146.32 -62.72 0.31 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.322 1.449 . . . . 0.0 110.609 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -92.61 -34.92 13.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.336 1.054 . . . . 0.0 112.878 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -158.42 -176.86 6.14 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.693 1.597 . . . . 0.0 111.016 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 p -89.82 161.07 16.18 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.771 1.628 . . . . 0.0 112.228 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.87 146.26 55.16 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.837 1.255 . . . . 0.0 111.21 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -121.51 -48.53 2.17 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -153.39 146.99 18.24 Favored Pre-proline 0 CA--C 1.544 0.732 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.65 147.6 57.48 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.599 2.2 . . . . 0.0 111.082 171.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.9 tp . . . . . 0 CA--C 1.544 0.727 0 O-C-N 121.691 -0.631 . . . . 0.0 110.554 169.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.938 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -64.01 -25.86 66.35 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.199 2.6 . . . . 0.0 113.917 -169.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -78.25 -10.04 59.48 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.896 1.278 . . . . 0.0 114.296 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -92.86 128.37 38.7 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 120.563 1.529 . . . . 0.0 112.612 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -119.46 1.82 11.22 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.192 1.397 . . . . 0.0 114.581 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.78 -133.92 37.74 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.739 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -77.8 49.94 3.1 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 124.551 3.5 . . . . 0.0 113.815 -173.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 tp -73.42 152.07 40.93 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.873 1.269 . . . . 0.0 110.776 171.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.4 m -103.56 161.87 13.52 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.958 1.303 . . . . 0.0 112.039 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -54.67 -45.77 73.94 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.55 -0.718 . . . . 0.0 112.459 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 m -58.93 -38.43 78.96 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.786 0.834 . . . . 0.0 112.548 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.49 -41.11 69.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.913 0.885 . . . . 0.0 111.964 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.2 98.48 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.229 0.612 . . . . 0.0 112.134 174.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.96 -49.89 74.29 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.885 1.274 . . . . 0.0 111.735 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -65.19 -29.71 70.55 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.547 0.612 . . . . 0.0 112.511 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.3 m -74.3 -47.62 33.55 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.26 0.624 . . . . 0.0 112.506 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -81.22 -25.82 36.39 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -66.0 -24.13 66.71 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.644 1.111 . . . . 0.0 112.182 173.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -80.14 -20.56 44.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.176 1.39 . . . . 0.0 113.12 172.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.2 mmm -98.32 160.41 28.26 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 125.843 1.657 . . . . 0.0 113.088 -174.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -72.01 160.29 47.94 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.174 2.583 . . . . 0.0 112.263 174.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -57.0 134.08 55.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.202 1.401 . . . . 0.0 112.866 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.73 2.58 67.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.658 1.123 . . . . 0.0 114.951 -174.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.3 m -77.39 128.48 34.33 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.517 1.159 . . . . 0.0 109.199 168.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -135.93 162.08 33.85 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 pp -145.67 161.26 40.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.208 1.403 . . . . 0.0 111.314 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.06 139.46 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.221 1.408 . . . . 0.0 109.568 171.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 ptt85 -137.27 160.83 37.9 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.091 1.356 . . . . 0.0 111.805 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.58 133.92 53.28 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.501 1.12 . . . . 0.0 110.241 169.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 t . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -169.529 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 121.136 0.493 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -122.85 171.07 9.47 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.192 0.997 . . . . 0.0 111.397 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.0 t -134.66 126.29 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.253 1.021 . . . . 0.0 109.671 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.5 tp -87.03 123.22 31.89 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.282 1.433 . . . . 0.0 107.7 169.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -115.17 136.24 53.32 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.515 0.726 . . . . 0.0 109.893 172.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.5 t -139.52 144.12 37.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.944 0.898 . . . . 0.0 112.052 -174.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.4 p -78.59 114.14 17.24 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.256 -0.903 . . . . 0.0 108.873 170.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -142.02 136.29 30.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.437 1.095 . . . . 0.0 112.4 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 t30 52.64 37.53 23.64 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.055 1.742 . . . . 0.0 114.01 173.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 8.43 74.73 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.24 0.924 . . . . 0.0 115.376 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -130.39 -170.3 2.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.328 2.251 . . . . 0.0 110.692 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -122.54 134.31 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.341 1.057 . . . . 0.0 110.245 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.7 p -113.26 159.47 19.31 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.462 1.905 . . . . 0.0 111.46 -177.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -140.92 136.92 32.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.195 1.398 . . . . 0.0 111.054 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -140.35 128.0 21.65 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.191 1.396 . . . . 0.0 111.412 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.53 134.82 48.05 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.935 0.789 . . . . 0.0 112.223 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.08 81.07 1.44 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.946 2.498 . . . . 0.0 105.829 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.6 m -77.77 139.92 39.4 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 124.958 1.303 . . . . 0.0 111.623 -172.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.5 127.94 32.87 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.106 0.563 . . . . 0.0 111.293 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -139.8 106.78 5.43 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.682 1.593 . . . . 0.0 109.55 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 51.88 31.5 8.49 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.917 1.287 . . . . 0.0 114.222 -174.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.01 -0.87 89.32 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.749 1.643 . . . . 0.0 115.33 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -103.03 172.61 6.72 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.667 1.987 . . . . 0.0 111.237 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.4 mm -107.96 118.63 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.072 1.349 . . . . 0.0 111.368 -169.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -104.99 127.92 53.06 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.023 1.729 . . . . 0.0 110.159 173.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.5 tt -139.21 127.33 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.768 1.227 . . . . 0.0 110.687 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 55.88 -83.43 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.381 1.873 . . . . 0.0 112.35 -168.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.5 p -134.37 -12.27 2.42 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.734 2.013 . . . . 0.0 113.009 171.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -81.51 136.99 35.63 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.706 1.602 . . . . 0.0 110.972 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.0 tp -106.94 133.21 51.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.717 1.207 . . . . 0.0 110.882 171.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.39 153.25 48.92 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 126.469 1.908 . . . . 0.0 111.138 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.49 -35.58 81.31 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -155.96 172.52 18.24 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.645 1.578 . . . . 0.0 111.252 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -47.85 84.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.875 0.87 . . . . 0.0 112.159 -177.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -64.12 -32.05 73.47 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.948 0.899 . . . . 0.0 112.753 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.19 86.77 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.57 -0.707 . . . . 0.0 112.578 171.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.59 81.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.123 0.569 . . . . 0.0 112.002 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.2 mm -57.88 -51.67 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-O 121.514 0.673 . . . . 0.0 109.897 171.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.0 m -59.2 -40.7 86.6 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.264 1.426 . . . . 0.0 112.265 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -60.24 -45.08 94.47 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.323 -0.861 . . . . 0.0 111.927 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -80.22 -3.84 50.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.6 mmt -80.37 -38.8 29.7 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.955 -1.091 . . . . 0.0 109.654 166.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -82.1 -29.66 31.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.867 1.267 . . . . 0.0 113.472 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -127.29 152.99 46.72 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.596 1.558 . . . . 0.0 111.803 -177.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -69.43 140.4 54.11 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.009 -1.057 . . . . 0.0 111.442 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.36 -62.89 1.55 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.903 1.281 . . . . 0.0 110.883 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.82 -48.76 0.29 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.605 1.162 . . . . 0.0 111.318 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -112.64 -33.92 5.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.653 1.581 . . . . 0.0 111.558 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -152.94 174.27 14.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.708 1.203 . . . . 0.0 112.906 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.8 p -88.53 159.13 18.07 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.755 1.622 . . . . 0.0 112.824 174.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.9 mt -67.32 143.35 56.44 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.504 1.122 . . . . 0.0 110.111 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -134.1 -38.97 0.86 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -154.58 146.56 17.17 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.58 147.55 57.86 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 122.366 2.044 . . . . 0.0 110.75 169.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.7 tp . . . . . 0 CA--C 1.542 0.662 0 O-C-N 121.525 -0.734 . . . . 0.0 109.53 168.924 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.915 0 CA-C-O 119.058 -0.496 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.59 -26.83 53.79 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.848 2.365 . . . . 0.0 113.586 -171.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -79.35 -8.25 58.94 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.357 1.463 . . . . 0.0 114.392 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -83.43 133.27 34.93 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.444 1.475 . . . . 0.0 112.012 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -123.8 7.63 8.75 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.475 1.51 . . . . 0.0 114.203 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -147.81 48.72 Favored Glycine 0 CA--C 1.539 1.555 0 O-C-N 120.964 -1.085 . . . . 0.0 113.604 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -68.64 42.58 0.28 Allowed 'Trans proline' 0 CA--C 1.548 1.192 1 C-N-CA 125.459 4.106 . . . . 0.0 116.513 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.32 140.08 58.08 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.681 1.192 . . . . 0.0 110.953 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 m -88.47 161.32 17.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.174 0.989 . . . . 0.0 112.296 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -50.49 -53.9 26.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.857 0.863 . . . . 0.0 112.629 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -58.26 -36.69 73.61 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.12 -43.45 70.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.192 0.997 . . . . 0.0 112.234 174.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.2 99.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.549 0.74 . . . . 0.0 111.946 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.44 -45.19 76.76 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.647 1.179 . . . . 0.0 112.19 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -65.61 -32.38 73.93 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.167 0.894 . . . . 0.0 112.284 176.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -69.8 -50.75 40.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.979 0.512 . . . . 0.0 111.97 175.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.21 -24.23 51.35 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -175.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.4 tp -70.6 -27.29 63.99 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.486 1.039 . . . . 0.0 112.261 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -78.19 -32.99 50.34 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.543 1.137 . . . . 0.0 112.475 172.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mmm -78.79 161.3 69.54 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.604 1.562 . . . . 0.0 113.254 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -71.18 160.87 47.7 Favored 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 123.102 2.534 . . . . 0.0 112.236 172.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -57.35 133.43 55.13 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.088 1.355 . . . . 0.0 112.192 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.56 1.94 61.88 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.192 1.377 . . . . 0.0 114.553 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.4 m -76.64 130.03 37.23 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.818 0.847 . . . . 0.0 108.99 168.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -136.39 162.5 32.85 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -176.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -147.29 158.61 44.02 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.08 1.352 . . . . 0.0 110.774 175.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -122.56 136.2 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 124.596 1.158 . . . . 0.0 109.526 171.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -134.9 154.46 51.67 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.995 1.318 . . . . 0.0 111.493 -175.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.75 133.17 51.49 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.335 0.654 . . . . 0.0 109.477 169.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -168.773 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 N--CA 1.472 0.654 0 CA-C-O 121.256 0.551 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -114.68 169.63 8.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.865 1.266 . . . . 0.0 111.401 173.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.63 129.97 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.85 1.26 . . . . 0.0 110.002 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.7 tp -89.43 124.99 34.98 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 125.977 1.711 . . . . 0.0 108.071 169.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -114.96 136.6 52.94 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.631 0.772 . . . . 0.0 109.749 171.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 19.3 t -139.84 142.8 36.58 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.018 0.927 . . . . 0.0 111.887 -174.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.3 p -79.99 111.63 16.51 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 122.046 0.927 . . . . 0.0 109.369 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -134.57 133.0 39.77 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.313 1.045 . . . . 0.0 112.84 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 52.42 37.35 22.42 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.526 1.53 . . . . 0.0 113.731 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.58 7.06 82.7 Favored Glycine 0 CA--C 1.54 1.595 0 N-CA-C 115.582 0.993 . . . . 0.0 115.582 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 -170.02 2.24 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.881 2.073 . . . . 0.0 110.909 174.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.03 136.49 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.986 0.914 . . . . 0.0 110.953 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -117.18 158.19 24.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.543 1.937 . . . . 0.0 111.416 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -138.66 136.96 36.41 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.014 1.326 . . . . 0.0 111.285 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -139.24 129.6 25.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.643 1.577 . . . . 0.0 111.144 -175.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -70.24 137.65 51.0 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.25 -0.906 . . . . 0.0 112.502 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.4 mt -111.64 81.12 1.4 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.474 2.31 . . . . 0.0 105.962 168.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.3 m -80.2 143.07 34.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.897 1.279 . . . . 0.0 112.131 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.17 129.48 35.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.435 0.694 . . . . 0.0 112.111 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -133.64 105.51 6.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.413 1.485 . . . . 0.0 109.785 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 51.68 31.89 8.54 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.993 1.317 . . . . 0.0 114.075 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.56 -9.13 78.2 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.983 1.754 . . . . 0.0 115.375 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -85.1 162.08 19.42 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.274 1.43 . . . . 0.0 111.495 170.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.9 mm -109.98 119.58 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.851 1.66 . . . . 0.0 110.652 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -103.22 129.23 50.11 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.306 1.842 . . . . 0.0 110.235 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.3 tt -139.49 129.77 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.301 1.04 . . . . 0.0 110.827 172.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.43 -85.46 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.411 1.884 . . . . 0.0 112.336 -168.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -131.27 -11.5 3.63 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.49 1.916 . . . . 0.0 112.867 171.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -86.85 139.58 30.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.919 2.087 . . . . 0.0 111.18 -171.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.7 tp -115.29 135.75 53.83 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.082 1.353 . . . . 0.0 111.723 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -134.25 156.99 47.43 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.362 1.865 . . . . 0.0 111.931 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.05 -34.9 79.53 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -156.85 171.94 19.52 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.194 1.397 . . . . 0.0 112.557 -172.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.07 -41.51 99.45 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.192 0.997 . . . . 0.0 113.227 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.42 -35.08 79.75 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.428 -0.795 . . . . 0.0 112.38 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.2 90.12 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.807 0.843 . . . . 0.0 112.489 171.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.7 80.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.494 0.718 . . . . 0.0 112.738 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.81 -51.39 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.32 1.048 . . . . 0.0 110.189 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.2 m -57.44 -37.5 72.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.855 1.262 . . . . 0.0 112.964 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.58 -44.77 73.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.867 0.867 . . . . 0.0 112.304 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -87.38 1.39 53.49 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.9 mmt -83.63 -34.6 25.03 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.032 -1.042 . . . . 0.0 109.916 166.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.86 -33.46 62.1 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.925 1.29 . . . . 0.0 112.862 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -145.22 168.58 20.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.875 1.27 . . . . 0.0 112.607 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -63.64 146.19 54.26 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.178 0.991 . . . . 0.0 112.516 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 tt -84.36 -61.39 1.82 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.712 1.605 . . . . 0.0 110.672 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -141.31 -50.97 0.43 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.733 1.213 . . . . 0.0 111.112 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.21 -36.38 5.61 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.834 1.653 . . . . 0.0 111.449 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -150.58 169.96 20.29 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.692 1.197 . . . . 0.0 112.702 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.3 p -87.92 164.84 15.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.212 1.405 . . . . 0.0 112.549 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.5 mt -71.62 136.37 47.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.479 0.712 . . . . 0.0 109.359 169.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -125.76 -42.5 1.91 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.963 0.905 . . . . 0.0 112.988 -176.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -153.48 145.19 16.68 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 123.608 0.763 . . . . 0.0 113.009 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -69.71 152.2 69.5 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.439 2.092 . . . . 0.0 110.735 169.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.6 tp . . . . . 0 CA--C 1.546 0.822 0 C-N-CA 123.814 0.846 . . . . 0.0 111.346 169.318 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -60.08 -29.84 90.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.904 3.07 . . . . 0.0 114.797 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -71.65 -12.64 61.44 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -83.36 121.64 27.42 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.472 1.487 . . . . 0.0 111.7 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -114.36 0.81 14.23 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.262 1.425 . . . . 0.0 113.693 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.48 -129.59 42.7 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-O 118.378 -1.234 . . . . 0.0 113.359 174.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -77.14 49.74 2.91 Favored 'Trans proline' 0 CA--C 1.548 1.192 0 C-N-CA 124.475 3.45 . . . . 0.0 113.752 -173.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 tp -74.84 148.28 40.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.966 1.306 . . . . 0.0 109.817 172.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 p -84.7 163.11 19.4 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.195 -0.941 . . . . 0.0 112.038 170.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -61.3 -41.22 96.62 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.481 -0.762 . . . . 0.0 111.18 170.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.6 m -61.09 -42.25 98.15 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.528 1.131 . . . . 0.0 112.12 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -69.12 -38.6 78.96 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.558 -0.714 . . . . 0.0 112.105 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.56 98.51 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.151 0.58 . . . . 0.0 111.934 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.47 -46.91 86.35 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.657 0.783 . . . . 0.0 112.137 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.64 -31.14 72.0 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.677 -0.639 . . . . 0.0 112.54 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -71.36 -46.72 59.77 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.354 0.662 . . . . 0.0 112.068 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.91 -26.82 33.77 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -174.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.83 -24.64 67.87 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.289 0.949 . . . . 0.0 112.381 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -88.15 -11.69 46.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.512 1.525 . . . . 0.0 113.864 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.1 mmm -101.71 160.98 24.93 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.604 1.562 . . . . 0.0 113.593 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -65.71 164.97 24.69 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.597 2.864 . . . . 0.0 112.794 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.55 139.89 58.81 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.576 1.15 . . . . 0.0 112.671 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.459 ' HA3' ' HE2' ' A' ' 92' ' ' LYS . . . 78.23 14.25 82.43 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.923 1.725 . . . . 0.0 114.979 -173.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.4 m -75.18 130.53 39.33 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.62 1.21 . . . . 0.0 109.405 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -134.81 159.31 41.78 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -175.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.93 157.96 43.88 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.531 1.533 . . . . 0.0 111.077 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.14 138.24 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.182 1.393 . . . . 0.0 109.751 172.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -147.19 164.89 31.71 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.145 1.378 . . . . 0.0 111.968 -170.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.44 139.08 58.27 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.13 1.372 . . . . 0.0 111.916 173.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -176.338 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 121.45 0.643 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -124.4 169.67 11.6 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.05 1.34 . . . . 0.0 111.744 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.2 t -134.48 128.4 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.534 1.534 . . . . 0.0 109.445 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HB2' HD11 ' A' ' 57' ' ' LEU . 45.2 tp -91.47 129.49 37.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 125.935 1.694 . . . . 0.0 107.497 169.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -120.07 138.85 53.3 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.761 172.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.9 p -143.2 146.41 33.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.5 p -80.6 102.97 10.13 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 124.906 1.282 . . . . 0.0 109.544 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -141.01 149.01 41.19 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.5 t30 51.9 38.88 24.69 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.253 1.821 . . . . 0.0 113.377 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.26 9.67 72.89 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.575 1.083 . . . . 0.0 115.602 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -133.53 -173.1 3.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.907 2.083 . . . . 0.0 111.203 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.06 138.96 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.587 1.155 . . . . 0.0 109.367 169.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.5 p -129.21 156.46 43.92 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.359 1.464 . . . . 0.0 111.158 -173.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -134.8 144.88 47.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.914 1.286 . . . . 0.0 111.975 -175.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -142.57 133.62 25.85 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.895 1.678 . . . . 0.0 110.778 -175.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -75.19 129.89 38.25 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.246 -0.909 . . . . 0.0 112.145 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 44' ' ' LEU . 19.0 mt -108.89 78.09 1.12 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.549 1.94 . . . . 0.0 106.798 168.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.4 m -77.17 142.34 39.7 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.814 1.245 . . . . 0.0 111.877 -173.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.58 128.73 34.59 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.237 0.615 . . . . 0.0 111.359 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -140.87 110.09 6.22 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.465 1.506 . . . . 0.0 109.796 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 51.89 31.36 8.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.047 1.339 . . . . 0.0 114.264 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.21 1.21 90.47 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.669 1.604 . . . . 0.0 115.292 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -107.82 173.79 6.17 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.871 2.068 . . . . 0.0 111.19 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.8 mm -105.83 120.49 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.099 1.36 . . . . 0.0 111.323 -170.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -106.91 128.02 53.95 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.919 1.688 . . . . 0.0 110.003 172.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.4 tt -139.33 126.53 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.865 1.266 . . . . 0.0 110.405 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.7 t70 54.6 -91.28 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.884 1.674 . . . . 0.0 111.913 -167.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.5 p -123.0 -12.71 7.94 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.467 1.507 . . . . 0.0 113.399 169.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -81.56 136.44 35.58 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.665 1.586 . . . . 0.0 111.204 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.1 tp -106.77 133.91 50.71 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.754 1.222 . . . . 0.0 110.832 171.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -131.89 154.04 49.62 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.61 1.964 . . . . 0.0 111.022 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.57 -36.09 82.76 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -155.9 171.91 19.27 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.392 1.477 . . . . 0.0 111.795 -173.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 mt -62.21 -42.97 99.79 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.89 0.876 . . . . 0.0 113.0 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -63.42 -36.51 83.97 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.608 -0.683 . . . . 0.0 112.252 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.59 93.89 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.785 0.834 . . . . 0.0 112.635 172.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.61 82.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.284 0.634 . . . . 0.0 112.082 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.37 -49.32 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.014 0.926 . . . . 0.0 110.498 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.5 m -60.98 -41.88 97.29 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.691 1.196 . . . . 0.0 112.189 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -58.84 -44.08 90.86 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.301 -0.875 . . . . 0.0 111.44 174.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -78.12 5.02 10.98 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 175.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.5 mtt -96.31 -38.54 10.04 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.538 1.135 . . . . 0.0 109.977 166.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.83 -28.8 60.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.476 1.11 . . . . 0.0 113.041 175.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -130.09 160.07 34.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.456 1.903 . . . . 0.0 111.424 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.14 144.19 44.97 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.014 -1.054 . . . . 0.0 111.709 175.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tt -83.24 -62.64 1.54 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.519 1.128 . . . . 0.0 110.481 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -143.37 -65.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.128 1.371 . . . . 0.0 110.644 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -91.57 -33.81 14.99 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.393 1.077 . . . . 0.0 112.745 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.2 t -159.16 -174.24 4.62 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.524 1.929 . . . . 0.0 110.045 174.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -85.64 164.84 17.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.637 1.575 . . . . 0.0 112.497 169.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 71.1 mt -69.02 131.56 45.24 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.109 1.364 . . . . 0.0 109.41 169.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HE2' ' HA3' ' A' ' 28' ' ' GLY . 36.0 mtmm -121.66 -34.06 3.48 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -171.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -153.38 144.11 15.89 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-N 119.484 1.038 . . . . 0.0 113.015 170.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.46 148.57 43.07 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.306 2.004 . . . . 0.0 111.376 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.2 tp . . . . . 0 CA--C 1.546 0.794 0 C-N-CA 123.33 0.652 . . . . 0.0 110.7 169.61 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.85 -21.22 57.94 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.92 2.413 . . . . 0.0 113.353 -175.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -96.03 -5.18 41.64 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.364 1.866 . . . . 0.0 114.609 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -90.79 131.35 36.51 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.324 1.42 . . . . 0.0 112.487 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -118.54 -1.41 11.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.639 1.576 . . . . 0.0 114.32 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.01 -146.18 47.67 Favored Glycine 0 CA--C 1.54 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 113.234 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -68.69 52.21 0.67 Allowed 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 125.29 3.993 . . . . 0.0 116.072 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 tp -70.98 149.6 46.49 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.962 -1.086 . . . . 0.0 110.173 172.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.7 m -89.89 156.14 18.66 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.691 0.796 . . . . 0.0 111.439 171.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -52.65 -48.51 66.38 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.714 -0.616 . . . . 0.0 112.411 174.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.6 m -56.34 -37.75 70.42 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.591 0.757 . . . . 0.0 112.528 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.5 -38.33 65.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.087 0.955 . . . . 0.0 112.622 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.21 96.76 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.385 0.674 . . . . 0.0 111.817 172.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.92 -46.99 76.23 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.54 1.136 . . . . 0.0 111.986 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -69.67 -12.71 61.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -85.52 -54.72 4.39 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.138 0.881 . . . . 0.0 111.369 169.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.94 -26.14 61.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -174.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.26 -24.82 67.42 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.459 1.027 . . . . 0.0 112.598 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -90.77 -13.45 33.93 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.222 1.409 . . . . 0.0 113.747 173.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 94.5 mmm -92.39 159.73 36.38 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.241 1.416 . . . . 0.0 112.535 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.47 161.55 45.62 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 122.988 2.459 . . . . 0.0 111.887 173.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -56.63 138.27 52.67 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.565 1.146 . . . . 0.0 112.555 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.84 3.89 79.67 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.67 1.129 . . . . 0.0 114.981 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.5 m -74.8 129.52 37.83 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.42 1.11 . . . . 0.0 108.83 168.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -136.55 161.17 36.63 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.64 155.69 42.64 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.996 1.318 . . . . 0.0 111.109 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.01 138.56 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.624 1.17 . . . . 0.0 109.933 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -142.63 157.44 44.68 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.433 1.493 . . . . 0.0 111.423 -172.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.43 135.99 53.99 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.048 0.939 . . . . 0.0 110.632 172.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -169.823 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 . . . . . 0 CA--C 1.543 0.698 0 CA-C-O 121.15 0.5 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -120.68 169.71 10.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.271 1.429 . . . . 0.0 111.556 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.7 t -135.74 129.55 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.84 1.256 . . . . 0.0 109.884 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.53 122.62 33.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.977 1.711 . . . . 0.0 107.844 169.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -115.39 135.16 54.42 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.614 0.766 . . . . 0.0 110.114 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 70.9 m -136.59 143.07 43.39 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.316 1.046 . . . . 0.0 112.079 -172.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.1 p -80.65 114.43 19.54 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 168.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -142.91 140.83 31.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.305 1.042 . . . . 0.0 111.851 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 56.74 31.13 18.85 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.147 1.379 . . . . 0.0 113.994 170.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.01 10.63 81.12 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 124.385 0.993 . . . . 0.0 114.879 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -133.71 -169.49 2.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 127.907 2.483 . . . . 0.0 110.441 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.16 134.48 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.257 1.023 . . . . 0.0 110.325 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -116.57 157.03 25.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.65 1.98 . . . . 0.0 111.218 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -138.96 137.27 36.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.996 1.318 . . . . 0.0 111.231 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -139.09 130.67 27.27 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.254 1.422 . . . . 0.0 111.38 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -77.05 126.31 30.76 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.408 -0.807 . . . . 0.0 111.811 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.3 mt -100.27 90.66 4.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.245 1.818 . . . . 0.0 107.216 169.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 m -87.93 144.99 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 125.362 1.465 . . . . 0.0 112.048 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.26 120.53 33.65 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.423 -0.798 . . . . 0.0 111.479 173.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -137.16 135.39 37.3 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.965 1.306 . . . . 0.0 110.53 170.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 50.59 30.05 4.54 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.549 1.54 . . . . 0.0 114.832 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.03 9.54 86.71 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.314 1.435 . . . . 0.0 115.202 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -122.06 163.88 18.66 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.668 1.987 . . . . 0.0 111.944 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.9 mm -91.69 118.1 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.012 1.325 . . . . 0.0 110.854 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -101.69 147.47 26.41 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.952 1.701 . . . . 0.0 110.748 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -148.86 117.43 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.148 0.979 . . . . 0.0 109.191 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.43 -101.29 0.11 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.784 1.633 . . . . 0.0 112.801 -168.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.4 p -111.48 -0.19 16.3 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.792 1.637 . . . . 0.0 113.635 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -91.73 149.9 21.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.633 1.573 . . . . 0.0 110.809 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.4 tp -134.09 135.41 43.22 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.368 1.467 . . . . 0.0 110.901 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -139.03 155.87 47.63 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.828 2.051 . . . . 0.0 111.25 -175.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.27 -36.01 81.88 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -156.29 172.22 18.85 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.441 1.496 . . . . 0.0 111.779 -173.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.95 -42.1 98.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.64 0.776 . . . . 0.0 112.895 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.88 -35.58 81.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.613 -0.68 . . . . 0.0 112.234 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.21 90.03 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.664 0.785 . . . . 0.0 112.661 172.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.71 88.01 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.232 0.613 . . . . 0.0 112.385 175.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.7 mm -60.63 -50.26 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.06 0.944 . . . . 0.0 110.447 171.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.9 m -58.82 -38.65 79.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.816 1.246 . . . . 0.0 112.367 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -58.82 -45.07 90.81 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.197 -0.94 . . . . 0.0 111.986 173.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -79.14 -3.72 46.92 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.2 mmt -80.15 -37.62 33.06 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.865 -1.147 . . . . 0.0 109.698 166.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -83.37 -29.65 28.04 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.853 1.261 . . . . 0.0 113.416 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -126.81 152.14 47.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.616 1.566 . . . . 0.0 111.94 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.88 139.56 55.16 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.05 -1.031 . . . . 0.0 111.64 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.37 -63.08 1.5 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.417 1.087 . . . . 0.0 110.695 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -144.06 -50.82 0.3 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.575 1.15 . . . . 0.0 111.515 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -110.28 -32.1 7.08 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.282 1.433 . . . . 0.0 111.674 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 t -153.03 169.7 22.27 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.942 1.297 . . . . 0.0 112.5 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 56.0 p -82.89 160.62 22.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.88 1.272 . . . . 0.0 111.662 169.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.85 142.52 58.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.177 0.991 . . . . 0.0 110.901 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -122.33 -45.06 2.23 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.466 1.107 . . . . 0.0 112.814 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -155.51 146.97 16.83 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.4 145.26 37.85 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.887 2.392 . . . . 0.0 111.597 171.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.0 tp . . . . . 0 CA--C 1.542 0.668 0 O-C-N 121.429 -0.795 . . . . 0.0 109.727 168.17 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.902 0 CA-C-O 118.989 -0.529 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -63.29 -27.84 72.1 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.365 2.71 . . . . 0.0 114.428 -168.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -80.52 -8.32 59.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.425 1.49 . . . . 0.0 114.386 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -85.14 132.47 34.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.151 1.342 . . . . 0.0 112.314 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -122.05 0.84 9.73 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.622 1.569 . . . . 0.0 113.851 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.66 -136.17 41.59 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-O 118.591 -1.116 . . . . 0.0 113.242 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.57 57.57 6.03 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 124.312 3.341 . . . . 0.0 113.061 -176.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.64 148.15 38.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.276 1.031 . . . . 0.0 109.873 171.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.8 m -90.54 156.51 18.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.748 0.819 . . . . 0.0 111.335 171.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -52.54 -50.12 63.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.205 0.602 . . . . 0.0 112.587 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 m -57.67 -36.21 71.6 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -71.16 -42.62 68.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.049 0.94 . . . . 0.0 112.326 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.97 98.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.551 0.74 . . . . 0.0 111.889 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -67.99 -43.83 78.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.846 1.258 . . . . 0.0 112.234 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -65.57 -35.11 79.87 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.327 0.967 . . . . 0.0 112.116 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -67.35 -51.44 52.25 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.07 0.548 . . . . 0.0 111.792 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.57 -22.76 56.7 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.89 -28.41 62.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.383 0.992 . . . . 0.0 112.368 171.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -78.84 -33.03 46.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.285 1.034 . . . . 0.0 112.526 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.8 mmm -76.82 161.29 74.38 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.215 1.406 . . . . 0.0 113.152 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.02 163.72 37.9 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.296 2.664 . . . . 0.0 112.594 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -54.89 132.32 46.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.303 1.441 . . . . 0.0 112.122 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.76 2.11 63.17 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.134 1.35 . . . . 0.0 115.007 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -74.89 133.59 41.79 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.717 0.807 . . . . 0.0 109.55 169.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -136.47 161.32 36.18 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.48 157.75 43.8 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.873 1.269 . . . . 0.0 111.497 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.38 137.98 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.857 1.263 . . . . 0.0 110.069 169.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -142.83 160.51 40.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.56 1.544 . . . . 0.0 111.534 -173.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.87 137.17 58.19 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.32 1.048 . . . . 0.0 111.087 170.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.471 0.583 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 . . . . . 0 CA--C 1.541 0.623 0 CA-C-O 121.298 0.57 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -124.36 170.04 11.22 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.87 1.268 . . . . 0.0 111.668 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.6 t -136.15 129.84 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.044 1.338 . . . . 0.0 109.617 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 tp -91.76 123.32 35.07 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.805 1.642 . . . . 0.0 107.86 169.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -115.05 137.46 51.99 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.442 0.697 . . . . 0.0 110.086 175.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.8 m -139.12 138.95 37.48 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.426 1.09 . . . . 0.0 112.207 -173.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 p -80.46 100.5 8.55 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 122.059 0.933 . . . . 0.0 110.214 173.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -139.31 153.49 47.75 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 56.59 29.94 16.47 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.295 1.438 . . . . 0.0 113.931 172.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 12.72 79.78 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.359 0.98 . . . . 0.0 114.816 -177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -136.8 -166.77 1.96 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 127.683 2.393 . . . . 0.0 110.289 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.91 138.47 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.299 1.039 . . . . 0.0 109.325 169.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.6 p -122.26 154.62 37.3 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.913 1.685 . . . . 0.0 110.854 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -137.45 139.49 40.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.85 1.26 . . . . 0.0 111.511 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -139.66 127.86 22.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.432 1.493 . . . . 0.0 110.844 -174.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -67.39 132.47 47.74 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.437 -0.789 . . . . 0.0 112.34 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.76 76.88 1.0 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.722 2.009 . . . . 0.0 106.315 167.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.8 m -77.56 141.95 39.27 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.577 1.151 . . . . 0.0 111.7 -173.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.15 129.54 34.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.143 0.577 . . . . 0.0 111.357 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -140.76 108.69 5.7 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.807 1.643 . . . . 0.0 109.658 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 53.23 30.52 10.09 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.905 1.282 . . . . 0.0 113.889 -175.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.58 0.15 89.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.879 1.704 . . . . 0.0 115.32 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -104.16 173.32 6.35 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.851 2.06 . . . . 0.0 111.206 174.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.1 mm -105.79 120.33 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.078 1.351 . . . . 0.0 111.424 -170.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -106.67 126.52 52.38 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.987 1.715 . . . . 0.0 110.054 172.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 tt -139.65 128.38 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.934 1.294 . . . . 0.0 111.021 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 56.14 -84.25 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.253 1.821 . . . . 0.0 112.247 -168.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -134.25 -11.78 2.49 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.776 2.031 . . . . 0.0 112.907 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -81.98 138.28 34.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.99 1.716 . . . . 0.0 111.215 -176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.5 tp -107.89 133.49 52.16 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.906 1.282 . . . . 0.0 110.747 171.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -131.99 154.04 49.74 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.458 1.903 . . . . 0.0 111.192 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.37 -35.73 81.84 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -155.89 171.69 19.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.3 1.44 . . . . 0.0 111.802 -173.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.2 -42.95 99.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.05 0.94 . . . . 0.0 112.93 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.53 -35.99 82.29 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.536 -0.728 . . . . 0.0 112.344 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.19 93.12 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.696 0.798 . . . . 0.0 112.643 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.18 82.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.24 0.616 . . . . 0.0 112.287 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.8 mm -58.75 -49.63 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.156 0.982 . . . . 0.0 110.43 173.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.2 m -60.18 -42.23 94.57 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.518 1.127 . . . . 0.0 112.175 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.22 -43.86 92.32 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.256 -0.903 . . . . 0.0 111.608 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -78.17 3.44 15.18 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.7 mtt -94.95 -37.32 11.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.412 1.085 . . . . 0.0 110.139 166.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -76.41 -28.88 56.84 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.64 1.176 . . . . 0.0 113.024 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -131.07 159.28 38.03 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.344 1.858 . . . . 0.0 111.591 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.55 143.43 46.48 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.039 -1.038 . . . . 0.0 111.757 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 tt -83.67 -62.22 1.63 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.752 1.221 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.56 -70.54 0.36 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.223 1.409 . . . . 0.0 110.284 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -89.87 -32.13 17.02 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.224 1.01 . . . . 0.0 113.003 178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 t -157.5 -177.7 6.79 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.417 1.487 . . . . 0.0 111.553 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 p -90.56 160.68 15.82 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.833 1.653 . . . . 0.0 112.307 169.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.2 mt -65.92 136.66 56.41 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.006 1.322 . . . . 0.0 111.012 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -112.01 -49.72 2.96 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -152.34 146.04 18.04 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -173.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -72.88 142.45 35.15 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.73 2.287 . . . . 0.0 111.335 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 CA--C 1.543 0.709 0 O-C-N 121.57 -0.706 . . . . 0.0 110.172 169.36 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 CA-C-O 118.887 -0.578 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.42 -26.68 34.49 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.053 2.502 . . . . 0.0 114.044 -171.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -80.5 -3.96 52.03 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.505 1.522 . . . . 0.0 114.541 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -84.23 135.81 34.2 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.906 1.23 . . . . 0.0 112.435 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -124.21 7.33 8.48 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.512 1.525 . . . . 0.0 114.424 -178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.97 -149.21 50.08 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 113.115 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -77.4 57.7 6.01 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.353 3.368 . . . . 0.0 112.816 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.94 138.08 45.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.684 1.193 . . . . 0.0 110.794 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.1 m -80.95 158.03 25.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.75 0.82 . . . . 0.0 112.048 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -51.09 -53.17 36.52 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.684 0.794 . . . . 0.0 112.41 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -59.01 -35.9 74.02 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -70.71 -43.01 69.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.123 0.969 . . . . 0.0 112.322 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.02 97.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.45 0.7 . . . . 0.0 111.724 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -67.91 -42.91 80.38 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.655 1.182 . . . . 0.0 112.399 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -66.0 -35.42 80.54 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.534 1.061 . . . . 0.0 112.104 175.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.9 m -66.23 -49.55 66.85 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.922 0.489 . . . . 0.0 111.693 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.51 -23.13 50.29 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -71.48 -29.22 64.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.327 0.967 . . . . 0.0 112.206 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.86 -32.96 52.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.213 1.005 . . . . 0.0 112.447 173.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 88.6 mmm -77.88 161.68 70.4 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.215 1.406 . . . . 0.0 113.371 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.48 168.04 25.41 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.293 2.662 . . . . 0.0 112.734 172.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.37 139.64 57.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.18 1.392 . . . . 0.0 112.781 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.08 87.54 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.282 1.896 . . . . 0.0 115.63 -176.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -73.78 132.6 42.78 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.301 1.051 . . . . 0.0 109.708 169.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -136.31 161.46 35.71 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.18 157.43 43.6 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 125.292 1.437 . . . . 0.0 110.922 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -119.69 136.45 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.424 1.089 . . . . 0.0 109.944 170.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -136.48 152.55 50.68 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.171 1.388 . . . . 0.0 111.803 -176.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.75 133.66 52.52 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 168.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--O 1.234 0.268 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -167.874 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -120.97 166.08 14.34 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.269 -0.894 . . . . 0.0 112.436 -176.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.44 130.07 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.065 1.346 . . . . 0.0 109.558 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.7 tp -91.67 120.14 32.17 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 125.817 1.647 . . . . 0.0 108.084 170.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -112.21 133.88 54.08 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.797 0.839 . . . . 0.0 109.721 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.3 m -136.02 139.54 43.19 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.646 1.178 . . . . 0.0 112.168 -172.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 p -81.87 101.19 10.05 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 169.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -142.92 152.67 42.3 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.2 t30 49.18 40.41 17.7 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.476 1.91 . . . . 0.0 113.273 -174.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.98 9.09 55.97 Favored Glycine 0 CA--C 1.542 1.738 0 N-CA-C 115.863 1.105 . . . . 0.0 115.863 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -129.66 -169.51 2.13 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.19 2.196 . . . . 0.0 110.756 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.3 t -117.8 134.97 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.106 0.962 . . . . 0.0 110.05 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -124.6 158.43 33.05 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.771 1.628 . . . . 0.0 111.375 -176.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -135.4 139.08 43.9 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.976 1.31 . . . . 0.0 111.279 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -137.41 128.14 27.05 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.583 1.553 . . . . 0.0 110.706 -175.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -73.67 131.96 42.21 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.4 -0.813 . . . . 0.0 112.011 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.8 mt -107.65 79.81 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.051 2.141 . . . . 0.0 106.799 169.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.8 m -77.85 140.22 39.34 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.857 1.263 . . . . 0.0 111.68 -173.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.55 129.1 34.16 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.263 0.625 . . . . 0.0 111.285 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -139.54 106.84 5.51 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.591 1.557 . . . . 0.0 109.697 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 51.82 31.8 8.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.015 1.326 . . . . 0.0 114.249 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.08 -1.34 88.9 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.681 1.61 . . . . 0.0 115.228 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -102.68 174.45 5.88 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.549 1.94 . . . . 0.0 111.029 173.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.9 mm -108.96 119.92 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.017 1.327 . . . . 0.0 111.39 -170.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -106.06 127.38 53.14 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.947 1.699 . . . . 0.0 110.089 172.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.2 tt -139.43 127.92 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.787 1.235 . . . . 0.0 110.628 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.5 t70 55.79 -83.89 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.339 1.856 . . . . 0.0 112.371 -168.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -134.21 -12.35 2.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.747 2.019 . . . . 0.0 112.888 171.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -80.89 136.62 36.09 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.927 1.691 . . . . 0.0 110.894 -176.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 tp -105.82 133.17 50.98 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.513 1.125 . . . . 0.0 110.751 170.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.13 154.05 47.9 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.641 1.976 . . . . 0.0 110.852 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.39 -35.82 82.11 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -156.32 172.21 18.88 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.511 1.525 . . . . 0.0 111.722 -174.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.87 -42.39 99.0 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.809 0.843 . . . . 0.0 113.027 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.52 -35.53 81.25 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.602 -0.686 . . . . 0.0 112.357 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.99 92.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.675 0.79 . . . . 0.0 112.59 172.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.82 79.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.32 0.648 . . . . 0.0 112.087 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.4 mm -58.44 -49.41 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.953 0.901 . . . . 0.0 110.459 173.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -59.81 -41.02 90.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.728 1.211 . . . . 0.0 112.22 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.11 -44.76 94.61 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.197 -0.94 . . . . 0.0 111.626 174.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -78.52 -2.6 39.49 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.4 mmt -83.29 -39.56 20.67 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.071 -1.018 . . . . 0.0 109.782 166.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -81.71 -29.01 33.16 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.735 1.214 . . . . 0.0 113.502 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -128.46 156.88 42.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.937 1.695 . . . . 0.0 111.628 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.52 140.25 49.84 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.0 -1.062 . . . . 0.0 111.638 176.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tt -81.52 -60.67 2.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.779 1.232 . . . . 0.0 110.436 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -145.41 -64.44 0.33 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.091 1.356 . . . . 0.0 110.455 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.75 -33.88 14.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.324 1.05 . . . . 0.0 113.054 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -157.8 -175.14 5.2 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.773 1.629 . . . . 0.0 110.762 173.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.1 p -87.97 161.84 17.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.818 1.647 . . . . 0.0 112.276 169.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.99 144.62 56.94 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.073 1.349 . . . . 0.0 110.878 171.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -125.66 -42.37 1.94 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -157.57 147.71 15.68 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.8 147.1 49.58 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.847 2.365 . . . . 0.0 111.663 171.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 CA--C 1.546 0.814 0 C-N-CA 123.631 0.772 . . . . 0.0 110.564 169.016 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.994 0 CA-C-O 119.331 -0.366 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.33 -20.39 55.27 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.161 2.574 . . . . 0.0 113.698 -171.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -86.08 -9.24 57.06 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -89.62 130.89 35.85 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.698 1.59 . . . . 0.0 112.482 -177.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -122.62 8.97 9.52 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.525 1.53 . . . . 0.0 114.27 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.85 -145.71 45.52 Favored Glycine 0 CA--C 1.537 1.435 0 O-C-N 120.817 -1.177 . . . . 0.0 113.494 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.7 53.4 4.35 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.502 3.468 . . . . 0.0 113.084 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 tp -71.72 142.4 49.79 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.808 1.243 . . . . 0.0 110.422 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.6 m -91.76 161.64 14.79 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.211 1.005 . . . . 0.0 112.197 175.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -49.62 -54.06 20.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.818 0.847 . . . . 0.0 112.591 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -57.95 -36.84 73.11 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -72.18 -40.31 68.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.179 0.992 . . . . 0.0 112.538 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.76 94.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.628 0.771 . . . . 0.0 111.868 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.6 -45.95 77.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.684 1.193 . . . . 0.0 111.995 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -70.66 -12.82 61.8 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.3 m -84.69 -53.78 5.14 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.239 0.927 . . . . 0.0 111.369 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.91 -26.34 60.48 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.38 -25.2 67.47 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.673 1.124 . . . . 0.0 112.521 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -90.4 -12.48 37.41 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.19 1.396 . . . . 0.0 113.729 173.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 95.2 mmm -93.1 160.03 34.36 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.332 1.453 . . . . 0.0 112.274 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.19 162.18 43.39 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.874 2.383 . . . . 0.0 111.895 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.59 138.82 51.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.548 1.139 . . . . 0.0 112.614 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.11 2.52 80.5 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.457 1.027 . . . . 0.0 114.775 -176.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 m -74.85 130.82 40.11 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.605 1.203 . . . . 0.0 109.192 168.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -137.18 161.93 34.83 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.47 157.88 43.76 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.04 1.336 . . . . 0.0 110.924 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -121.88 137.54 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.12 1.368 . . . . 0.0 109.594 171.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -137.27 154.95 50.01 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.178 1.391 . . . . 0.0 111.676 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.2 135.04 54.95 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.076 0.55 . . . . 0.0 109.846 169.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -169.226 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 121.71 0.767 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -110.76 170.0 8.39 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.803 1.241 . . . . 0.0 110.072 169.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.0 t -136.61 128.82 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.417 1.087 . . . . 0.0 110.017 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.4 tp -90.28 122.89 33.59 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.166 1.786 . . . . 0.0 108.228 170.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 m -116.4 133.32 56.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.01 0.924 . . . . 0.0 109.934 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.1 m -135.93 143.58 45.0 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.49 1.116 . . . . 0.0 112.664 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 p -80.96 113.87 19.46 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 169.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -142.83 136.58 28.9 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.212 1.005 . . . . 0.0 112.466 -175.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.2 t30 52.53 38.4 25.58 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.958 1.703 . . . . 0.0 113.992 170.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.44 7.9 74.33 Favored Glycine 0 CA--C 1.539 1.55 0 N-CA-C 115.444 0.938 . . . . 0.0 115.444 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -129.43 -172.09 2.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.253 2.221 . . . . 0.0 110.971 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.2 t -120.6 133.76 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.444 1.098 . . . . 0.0 109.903 173.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.1 p -115.02 156.91 24.24 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.516 1.926 . . . . 0.0 111.23 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -139.17 137.32 35.95 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.879 1.271 . . . . 0.0 111.344 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -140.82 128.76 21.9 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.674 1.59 . . . . 0.0 110.659 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -73.62 133.64 43.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.814 1.188 . . . . 0.0 112.238 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.8 mt -99.42 78.97 2.24 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.454 2.301 . . . . 0.0 105.035 167.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.1 m -76.49 138.71 40.44 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.44 1.496 . . . . 0.0 111.984 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.12 125.19 29.5 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.102 0.561 . . . . 0.0 111.059 174.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -138.93 104.32 5.03 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.208 1.403 . . . . 0.0 109.75 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 50.46 33.4 7.72 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.318 1.447 . . . . 0.0 114.747 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.12 -4.2 86.41 Favored Glycine 0 CA--C 1.541 1.67 0 C-N-CA 125.962 1.744 . . . . 0.0 115.374 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -97.13 168.09 10.66 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.48 1.912 . . . . 0.0 111.638 172.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 mm -104.59 118.02 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.788 1.635 . . . . 0.0 110.243 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -103.43 129.48 50.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.736 1.614 . . . . 0.0 109.965 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.6 tt -139.37 125.79 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.262 1.025 . . . . 0.0 111.429 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 56.32 -70.77 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.901 2.48 . . . . 0.0 113.878 -169.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -143.02 -10.22 0.77 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.372 1.869 . . . . 0.0 113.643 169.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -89.9 137.53 32.26 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.985 1.714 . . . . 0.0 110.718 -171.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.4 tp -111.28 134.62 52.73 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.947 1.299 . . . . 0.0 111.719 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -135.2 155.45 50.65 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.06 1.744 . . . . 0.0 112.177 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.34 -35.82 82.1 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -156.52 172.26 18.86 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.149 1.379 . . . . 0.0 112.322 -172.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.9 -44.04 97.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.255 1.022 . . . . 0.0 113.171 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.57 -35.14 79.51 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.572 -0.705 . . . . 0.0 112.346 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.78 90.3 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.962 0.905 . . . . 0.0 112.587 172.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.82 -40.3 87.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.245 0.618 . . . . 0.0 112.324 176.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.2 mm -61.24 -50.66 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.138 0.975 . . . . 0.0 110.436 171.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.8 m -58.64 -39.97 82.07 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.557 1.143 . . . . 0.0 112.366 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -57.82 -44.01 86.15 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.062 -1.024 . . . . 0.0 112.038 174.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -80.47 2.68 24.21 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 51.3 mtt -92.09 -36.07 13.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.045 -1.034 . . . . 0.0 109.914 166.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -77.53 -29.1 52.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.706 1.203 . . . . 0.0 113.178 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -129.93 157.19 42.98 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.014 1.726 . . . . 0.0 111.851 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -72.97 145.0 47.04 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.948 -1.095 . . . . 0.0 111.707 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -83.0 -63.71 1.31 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.738 1.215 . . . . 0.0 110.987 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.3 -53.05 0.37 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.468 1.107 . . . . 0.0 111.428 177.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -112.49 -30.81 7.01 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.36 1.464 . . . . 0.0 111.895 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -150.87 175.63 11.84 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.816 1.247 . . . . 0.0 112.521 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.0 p -88.48 166.04 14.47 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.458 1.503 . . . . 0.0 112.107 170.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.78 127.49 32.74 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.322 1.049 . . . . 0.0 110.104 171.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -112.3 -42.16 3.76 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.462 1.105 . . . . 0.0 113.243 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -155.45 145.83 15.98 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -70.23 147.54 60.06 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.515 2.143 . . . . 0.0 110.815 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.6 tp . . . . . 0 CA--C 1.545 0.776 0 O-C-N 121.377 -0.827 . . . . 0.0 111.315 172.426 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.92 0 CA-C-O 119.016 -0.516 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -61.37 -30.57 87.58 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.012 2.474 . . . . 0.0 113.967 -168.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -75.36 -11.53 60.07 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -84.07 133.47 34.64 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 120.556 1.525 . . . . 0.0 111.845 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -122.9 7.62 9.32 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.442 1.497 . . . . 0.0 114.195 -177.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.32 -147.0 48.43 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 120.893 -1.13 . . . . 0.0 113.185 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.04 54.91 5.09 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.422 3.415 . . . . 0.0 113.05 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 tp -72.43 141.15 48.65 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.682 1.193 . . . . 0.0 110.672 174.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -87.72 160.73 17.97 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.233 1.013 . . . . 0.0 112.198 175.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -51.06 -54.15 27.42 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.818 0.847 . . . . 0.0 112.711 176.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 m -57.52 -37.03 72.36 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.183 0.593 . . . . 0.0 112.556 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -69.93 -43.96 70.58 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.072 0.949 . . . . 0.0 112.259 174.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.42 99.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.495 0.718 . . . . 0.0 112.216 175.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.49 -45.42 79.68 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.591 1.157 . . . . 0.0 111.903 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -66.38 -34.25 77.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.033 0.833 . . . . 0.0 112.322 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 m -67.03 -44.36 80.42 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.032 0.533 . . . . 0.0 112.38 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.02 -26.71 28.91 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -65.02 -25.48 67.87 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.819 1.19 . . . . 0.0 112.202 173.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -77.3 -22.05 52.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.102 1.361 . . . . 0.0 113.369 171.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -98.74 160.62 27.43 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 125.831 1.652 . . . . 0.0 113.287 -172.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.0 162.93 41.01 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 123.221 2.614 . . . . 0.0 112.383 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.53 137.18 56.58 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.148 1.379 . . . . 0.0 113.056 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.18 5.3 85.74 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.636 1.112 . . . . 0.0 114.648 -176.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.4 m -73.92 129.04 37.09 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.976 1.388 . . . . 0.0 108.616 167.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.38 160.36 38.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -173.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.25 157.72 43.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.036 1.334 . . . . 0.0 110.741 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.26 135.57 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 124.855 1.262 . . . . 0.0 109.432 171.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -133.68 153.01 52.01 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.969 1.307 . . . . 0.0 111.527 -176.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.79 133.44 54.75 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.406 0.682 . . . . 0.0 109.651 169.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 122.161 0.981 . . . . 0.0 113.483 -168.96 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 N--CA 1.471 0.599 0 CA-C-O 121.428 0.632 . . . . 0.0 112.185 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -118.33 170.55 8.81 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.07 1.348 . . . . 0.0 111.334 173.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.99 129.16 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.878 1.271 . . . . 0.0 109.713 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 tp -89.39 124.49 34.5 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.539 1.536 . . . . 0.0 108.283 170.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 m -114.58 136.21 53.28 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.859 0.864 . . . . 0.0 109.861 172.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.0 t -141.08 143.43 34.34 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.037 0.935 . . . . 0.0 112.083 -174.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 p -79.15 113.19 17.07 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.112 -0.992 . . . . 0.0 109.402 171.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -139.41 123.47 17.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.258 1.023 . . . . 0.0 113.527 -173.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.2 t30 50.36 50.59 18.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.898 2.079 . . . . 0.0 113.274 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.31 86.16 Favored Glycine 0 CA--C 1.538 1.493 0 N-CA-C 115.996 1.158 . . . . 0.0 115.996 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -139.34 -173.85 3.71 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.204 1.801 . . . . 0.0 111.22 175.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -114.89 134.06 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.097 0.959 . . . . 0.0 111.008 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.7 p -110.74 158.86 18.18 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.592 1.957 . . . . 0.0 111.391 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -139.01 137.28 36.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.029 1.332 . . . . 0.0 111.187 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -138.9 131.03 28.15 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.288 1.435 . . . . 0.0 111.836 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -67.43 132.63 48.02 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.583 -0.698 . . . . 0.0 112.118 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.0 mt -111.0 80.47 1.31 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.853 2.061 . . . . 0.0 105.996 168.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -82.08 139.93 34.15 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.771 1.228 . . . . 0.0 112.023 -170.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.77 127.78 35.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.465 0.706 . . . . 0.0 112.416 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -134.91 114.09 12.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.459 1.503 . . . . 0.0 109.914 170.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 52.01 30.12 7.02 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.829 1.252 . . . . 0.0 114.135 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.56 -3.84 83.8 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.877 1.703 . . . . 0.0 115.296 -176.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -93.12 163.15 13.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.908 1.683 . . . . 0.0 111.44 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.3 mm -108.45 114.94 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.513 1.525 . . . . 0.0 111.934 -168.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -98.78 127.26 44.65 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.18 1.792 . . . . 0.0 109.972 173.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 tt -141.16 130.52 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.249 1.02 . . . . 0.0 111.036 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 t70 51.99 -92.25 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.08 1.752 . . . . 0.0 113.151 -169.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.9 p -130.4 8.31 5.02 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.894 2.077 . . . . 0.0 112.754 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -107.1 148.66 28.51 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.716 2.006 . . . . 0.0 111.097 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.5 tp -123.12 131.41 53.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.425 1.49 . . . . 0.0 110.234 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -129.2 155.6 45.28 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 126.356 1.862 . . . . 0.0 111.38 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.61 -35.06 79.71 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -157.24 171.72 19.92 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.303 1.441 . . . . 0.0 111.956 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.65 -43.18 99.35 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.028 0.931 . . . . 0.0 113.072 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.52 -36.01 82.37 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.598 -0.689 . . . . 0.0 112.246 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.91 92.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.884 0.874 . . . . 0.0 112.625 172.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.43 88.34 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.209 0.604 . . . . 0.0 112.205 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.6 mm -59.6 -50.36 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.042 0.937 . . . . 0.0 110.501 172.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.6 m -59.16 -40.64 86.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.575 1.15 . . . . 0.0 112.266 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.48 -44.23 89.26 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.164 -0.96 . . . . 0.0 111.847 174.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -78.81 1.19 24.13 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.2 mtt -91.2 -37.34 13.39 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.055 -1.028 . . . . 0.0 110.034 166.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -77.02 -28.99 55.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.603 1.161 . . . . 0.0 113.164 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -129.97 157.08 43.29 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.086 1.754 . . . . 0.0 111.703 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.47 144.48 49.67 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.037 -1.04 . . . . 0.0 111.745 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 tt -82.06 -64.41 1.19 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.905 1.282 . . . . 0.0 110.762 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -144.63 -51.39 0.29 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.442 1.097 . . . . 0.0 111.646 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -110.11 -32.37 7.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.69 1.596 . . . . 0.0 111.776 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -152.29 175.17 12.93 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.822 1.249 . . . . 0.0 112.403 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 61.5 p -88.42 162.93 16.23 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.187 1.395 . . . . 0.0 112.177 169.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.26 128.73 37.64 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.307 1.043 . . . . 0.0 110.042 172.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -106.62 -45.61 4.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.749 1.22 . . . . 0.0 113.075 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -154.54 142.59 14.2 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -64.02 144.01 86.45 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.826 2.351 . . . . 0.0 112.3 168.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 167.179 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 119.189 -0.434 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.54 -22.66 58.33 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 122.817 2.344 . . . . 0.0 113.377 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 -85.28 -8.62 58.42 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 174.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -87.72 127.94 35.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.823 1.647 . . . . 0.0 112.255 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -119.29 0.21 11.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.084 1.754 . . . . 0.0 113.742 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.22 -140.54 41.68 Favored Glycine 0 CA--C 1.54 1.624 0 CA-C-O 118.744 -1.031 . . . . 0.0 113.707 174.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -67.43 46.25 0.28 Allowed 'Trans proline' 0 CA--C 1.549 1.273 1 C-N-CA 125.395 4.063 . . . . 0.0 116.667 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 tp -71.7 149.6 45.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.787 -1.195 . . . . 0.0 110.34 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.7 m -91.87 156.35 17.55 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.884 0.874 . . . . 0.0 111.454 171.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -53.05 -48.63 67.51 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.739 -0.601 . . . . 0.0 112.548 175.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -57.19 -37.72 72.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.268 0.627 . . . . 0.0 112.597 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -71.48 -41.44 69.34 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.093 0.957 . . . . 0.0 112.252 174.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.52 98.73 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.539 0.736 . . . . 0.0 111.91 173.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.11 -45.85 75.95 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.73 1.212 . . . . 0.0 112.296 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -64.97 -31.35 72.54 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.089 0.858 . . . . 0.0 112.389 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -71.03 -52.37 19.94 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.07 0.548 . . . . 0.0 111.787 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.73 -25.72 59.31 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.63 -26.55 63.53 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.196 0.907 . . . . 0.0 112.25 173.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -80.74 -33.04 35.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.737 1.215 . . . . 0.0 112.478 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -75.92 161.6 75.03 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 125.397 1.479 . . . . 0.0 113.741 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.51 164.33 29.14 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.373 2.715 . . . . 0.0 112.479 169.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.37 145.29 52.06 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.673 1.189 . . . . 0.0 112.692 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 8.26 87.83 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.98 0.8 . . . . 0.0 114.483 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.0 m -77.55 130.51 37.02 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.139 0.969 . . . . 0.0 109.282 169.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -137.41 160.69 38.38 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.2 156.08 43.15 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 125.153 1.381 . . . . 0.0 110.743 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.81 135.08 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.327 1.451 . . . . 0.0 109.275 171.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -140.93 163.13 33.78 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.076 1.351 . . . . 0.0 111.484 -173.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -60.98 136.45 58.09 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.911 0.884 . . . . 0.0 111.081 170.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -170.344 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 CA--C 1.541 0.62 0 CA-C-O 121.304 0.573 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -122.84 170.65 9.87 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.833 1.253 . . . . 0.0 111.781 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.7 t -135.37 128.27 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.996 1.319 . . . . 0.0 110.112 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.5 tp -89.3 120.64 30.83 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.913 1.685 . . . . 0.0 107.618 169.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -112.63 135.34 53.47 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.7 0.8 . . . . 0.0 109.697 173.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.3 m -136.69 142.77 43.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.233 1.013 . . . . 0.0 112.278 -172.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.6 p -82.0 112.03 18.72 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.959 0.885 . . . . 0.0 108.653 169.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.24 135.84 34.34 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.805 1.242 . . . . 0.0 112.2 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 53.61 38.12 27.53 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.694 1.597 . . . . 0.0 113.965 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.26 8.45 74.93 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.302 0.953 . . . . 0.0 115.394 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -132.3 -171.52 2.66 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.009 2.124 . . . . 0.0 110.878 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -121.02 135.34 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.235 1.014 . . . . 0.0 110.459 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.5 p -117.86 157.4 26.71 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.539 1.936 . . . . 0.0 111.151 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.81 137.79 35.27 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.953 1.301 . . . . 0.0 111.12 -178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -140.72 127.26 20.11 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.36 1.464 . . . . 0.0 110.78 -174.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -71.5 134.4 46.5 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.093 -1.005 . . . . 0.0 112.292 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -104.8 81.07 1.71 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 128.175 2.59 . . . . 0.0 105.781 168.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.6 m -79.79 139.43 37.24 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.754 1.222 . . . . 0.0 111.681 -172.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.25 126.1 30.7 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.168 0.587 . . . . 0.0 111.107 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -139.22 109.31 6.4 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.554 1.542 . . . . 0.0 109.637 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 51.96 31.13 8.13 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.937 1.295 . . . . 0.0 114.277 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.33 0.8 90.27 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.692 1.615 . . . . 0.0 115.217 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -106.75 174.01 6.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.898 2.079 . . . . 0.0 111.088 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.9 mm -108.01 120.18 58.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.967 1.307 . . . . 0.0 111.387 -170.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -105.59 128.19 53.47 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.96 1.704 . . . . 0.0 110.09 172.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.9 tt -139.37 127.87 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.841 1.257 . . . . 0.0 110.45 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 54.92 -95.12 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.53 1.532 . . . . 0.0 111.411 -167.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.7 p -119.73 -13.34 9.13 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.325 1.45 . . . . 0.0 113.372 169.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -80.97 135.63 35.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.818 1.647 . . . . 0.0 111.39 -173.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.9 tp -106.44 134.08 50.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.783 1.233 . . . . 0.0 110.781 171.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -131.84 154.34 49.26 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.65 1.98 . . . . 0.0 110.966 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.9 -35.78 82.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -156.46 172.14 19.05 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.544 1.538 . . . . 0.0 111.62 -173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.31 -43.76 98.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.871 0.868 . . . . 0.0 112.935 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.5 -35.45 80.5 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.644 -0.66 . . . . 0.0 112.289 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.753 0.821 . . . . 0.0 112.674 172.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.68 86.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.279 0.632 . . . . 0.0 112.184 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -60.01 -49.77 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.937 0.895 . . . . 0.0 110.342 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.6 m -59.03 -38.79 80.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.675 1.19 . . . . 0.0 112.431 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -60.95 -46.49 90.5 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.209 -0.932 . . . . 0.0 111.846 173.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -77.8 -5.73 51.76 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.8 mmt -76.81 -36.36 56.98 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.984 -1.073 . . . . 0.0 110.144 166.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -88.0 -28.33 21.49 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.01 1.324 . . . . 0.0 113.42 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -128.29 146.71 50.67 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.503 1.521 . . . . 0.0 111.996 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -65.67 136.88 56.87 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.493 -0.754 . . . . 0.0 111.476 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.29 -62.43 1.66 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.4 1.08 . . . . 0.0 110.757 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -142.9 -49.09 0.33 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.517 1.127 . . . . 0.0 111.23 173.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -110.37 -33.68 6.56 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.265 1.426 . . . . 0.0 111.578 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -155.8 174.93 14.61 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.332 1.053 . . . . 0.0 113.285 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.2 m -84.4 158.92 20.94 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.386 1.474 . . . . 0.0 112.218 174.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.4 mt -64.5 146.12 55.06 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.704 1.201 . . . . 0.0 110.979 169.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -136.2 -41.65 0.65 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -149.88 144.76 18.0 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.18 154.77 56.98 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.657 2.238 . . . . 0.0 111.39 170.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 CA--C 1.548 0.872 0 C-N-CA 123.95 0.9 . . . . 0.0 112.057 169.951 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.53 -21.1 46.75 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 122.931 2.421 . . . . 0.0 113.608 -174.511 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -91.67 -4.64 54.92 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.141 1.776 . . . . 0.0 114.343 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -94.88 128.48 41.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.081 1.309 . . . . 0.0 113.055 -171.068 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -115.13 -1.45 13.0 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -175.028 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.15 -141.18 37.14 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.913 -1.117 . . . . 0.0 112.533 -177.032 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.62 56.56 5.64 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 124.487 3.458 . . . . 0.0 113.406 -175.018 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.4 141.27 45.1 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.798 1.239 . . . . 0.0 110.607 173.737 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.8 m -87.97 159.82 18.16 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.245 1.018 . . . . 0.0 111.799 173.33 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -51.41 -52.08 49.18 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.632 0.773 . . . . 0.0 112.651 176.006 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -57.11 -37.27 71.72 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -175.517 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.46 -42.56 74.72 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.202 1.001 . . . . 0.0 112.343 175.262 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.36 93.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.489 0.716 . . . . 0.0 111.991 174.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.89 -42.46 85.49 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.593 1.157 . . . . 0.0 112.342 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -65.05 -39.04 92.72 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.034 0.834 . . . . 0.0 111.952 175.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 m -70.21 -44.51 68.46 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.285 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mp -76.43 -17.62 59.24 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.7 tp -78.38 -30.19 47.76 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.733 0.813 . . . . 0.0 111.826 168.413 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -73.75 -33.48 64.31 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.548 1.139 . . . . 0.0 112.455 171.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -83.47 162.12 54.52 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.902 1.681 . . . . 0.0 113.299 178.345 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -73.71 166.96 28.44 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.335 2.69 . . . . 0.0 112.624 172.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.11 141.08 41.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.586 1.554 . . . . 0.0 113.128 175.539 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.7 2.17 89.9 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.646 1.117 . . . . 0.0 115.033 -177.008 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.4 m -75.35 129.81 37.98 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.324 1.062 . . . . 0.0 109.176 168.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -135.05 162.17 33.23 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -177.156 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.88 160.5 41.71 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.208 1.403 . . . . 0.0 111.036 174.702 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.6 t -122.75 138.68 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.257 1.023 . . . . 0.0 109.533 169.357 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -134.13 157.87 45.09 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.342 1.457 . . . . 0.0 111.612 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -63.9 135.35 56.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.192 0.997 . . . . 0.0 110.104 169.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -169.389 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 . . . . . 0 CA--C 1.541 0.615 0 CA-C-O 121.286 0.565 . . . . 0.0 112.188 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -122.7 174.03 7.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.048 1.339 . . . . 0.0 111.369 173.168 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -138.36 128.11 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.623 1.169 . . . . 0.0 109.841 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -89.55 127.99 35.95 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.361 1.464 . . . . 0.0 107.963 170.208 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -119.87 137.81 53.79 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.472 0.709 . . . . 0.0 110.147 172.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 t -141.0 144.78 35.23 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.935 0.894 . . . . 0.0 112.23 -174.793 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.9 p -81.33 110.71 17.03 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.08 -1.013 . . . . 0.0 109.303 172.058 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -137.26 109.78 7.45 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -170.401 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 48.0 t30 54.75 57.67 5.49 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.614 1.966 . . . . 0.0 113.348 174.624 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.41 9.41 86.85 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 115.811 1.084 . . . . 0.0 115.811 172.327 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -143.56 177.78 8.24 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.241 2.216 . . . . 0.0 110.532 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.68 132.66 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.287 1.035 . . . . 0.0 110.348 173.528 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.7 p -110.48 158.47 18.47 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.327 1.851 . . . . 0.0 111.37 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -140.45 137.86 34.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.231 1.413 . . . . 0.0 111.028 -178.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -140.11 127.54 21.4 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.024 1.33 . . . . 0.0 111.758 -174.589 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -67.03 131.0 44.95 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.616 0.766 . . . . 0.0 111.632 176.823 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.3 mt -108.6 83.11 1.71 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.904 2.081 . . . . 0.0 106.325 169.104 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.7 m -82.87 137.59 34.21 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 124.55 1.14 . . . . 0.0 111.827 -171.378 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.57 129.27 34.93 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.3 0.64 . . . . 0.0 112.661 -177.448 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -135.46 111.78 9.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.388 1.475 . . . . 0.0 109.947 171.129 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 51.9 30.19 6.9 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.875 1.27 . . . . 0.0 114.269 -176.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.04 -7.56 77.25 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.921 1.724 . . . . 0.0 115.331 -176.322 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -86.65 162.32 18.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.489 1.516 . . . . 0.0 111.368 172.112 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.1 mm -112.51 112.35 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.912 1.685 . . . . 0.0 111.318 -169.386 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -95.82 127.61 42.0 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.315 1.846 . . . . 0.0 110.058 174.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 tt -142.62 130.55 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.319 1.047 . . . . 0.0 111.178 175.675 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t70 51.75 -93.0 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.069 1.748 . . . . 0.0 113.12 -169.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.5 p -129.77 8.34 5.3 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.825 2.05 . . . . 0.0 112.813 177.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -106.24 149.31 27.0 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.555 1.942 . . . . 0.0 111.024 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.1 tp -124.29 128.25 48.87 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.387 1.475 . . . . 0.0 110.005 172.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -124.32 156.15 37.47 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.061 1.744 . . . . 0.0 111.204 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.63 -34.22 77.4 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -156.76 172.56 18.39 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.306 1.442 . . . . 0.0 111.416 -172.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -48.51 81.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.133 0.973 . . . . 0.0 112.094 -177.386 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.21 -32.15 73.62 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.057 0.943 . . . . 0.0 112.683 -175.739 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.52 84.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.574 0.75 . . . . 0.0 112.571 171.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.66 79.83 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.554 0.616 . . . . 0.0 111.894 174.019 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.3 mm -57.87 -50.81 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 121.536 0.684 . . . . 0.0 109.987 172.36 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.3 m -59.45 -40.81 88.04 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.311 1.444 . . . . 0.0 112.138 -178.662 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.31 -46.44 90.29 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.419 -0.8 . . . . 0.0 111.835 173.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -78.06 -6.5 54.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.8 mmt -77.74 -37.52 49.08 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.903 -1.123 . . . . 0.0 110.058 166.625 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -85.92 -28.52 24.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.856 1.262 . . . . 0.0 113.502 -178.743 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -129.2 148.28 51.12 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.582 1.553 . . . . 0.0 111.786 -176.643 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.22 137.16 57.8 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.522 -0.736 . . . . 0.0 111.512 179.336 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 tt -75.5 -62.39 1.59 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.482 1.113 . . . . 0.0 110.584 -175.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -144.48 -46.04 0.25 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.703 1.201 . . . . 0.0 111.211 172.685 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -115.5 -31.39 5.91 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.944 1.698 . . . . 0.0 111.743 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -155.14 172.37 18.26 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.358 1.063 . . . . 0.0 113.119 175.357 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.0 m -83.96 156.78 22.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.094 1.358 . . . . 0.0 112.036 173.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.4 mt -63.32 146.03 54.33 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.417 1.087 . . . . 0.0 110.725 169.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -132.42 -42.41 0.95 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -177.264 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -154.87 147.66 17.94 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.26 149.2 35.31 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.787 2.324 . . . . 0.0 111.995 173.193 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.2 tp . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 123.703 0.801 . . . . 0.0 109.589 167.255 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.009 0 N-CA-C 107.596 -2.202 . . . . 0.0 107.596 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 5.4 m -60.89 -175.94 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.177 1.391 . . . . 0.0 113.256 171.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -30.44 -34.98 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.094 1.758 . . . . 0.0 112.509 146.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 82.86 -33.46 2.85 Favored Glycine 0 N--CA 1.48 1.585 0 C-N-CA 125.251 1.405 . . . . 0.0 115.31 143.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.99 14.46 8.49 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 128.302 2.641 . . . . 0.0 111.535 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.5 m -82.93 92.45 7.32 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 116.627 -2.029 . . . . 0.0 109.304 107.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -93.02 -124.01 3.55 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 105.969 -2.852 . . . . 0.0 105.969 127.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.614 ' HB2' ' H ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -18.65 120.38 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 113.302 -1.449 . . . . 0.0 112.959 107.183 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.82 103.86 15.77 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 114.456 -2.898 . . . . 0.0 108.337 98.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.614 ' H ' ' HB2' ' A' ' 1' ' ' MET . 0.3 OUTLIER 47.0 42.47 12.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 107.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.257 . . 51.75 18.09 0.7 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 120.452 3.501 . . . . 0.0 120.452 105.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.48 148.25 24.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.799 133.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.07 156.49 10.25 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.814 0.846 . . . . 0.0 112.528 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -60.99 -30.44 89.85 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 121.841 1.694 . . . . 0.0 112.703 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -80.27 -6.1 57.33 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -90.43 129.48 36.61 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 121.165 1.802 . . . . 0.0 112.709 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -121.76 8.36 9.99 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.728 1.611 . . . . 0.0 114.113 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.62 -144.66 45.88 Favored Glycine 0 CA--C 1.541 1.668 0 O-C-N 120.565 -1.334 . . . . 0.0 113.722 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.32 55.61 4.7 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.599 3.533 . . . . 0.0 113.48 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 tp -76.79 138.96 40.2 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.847 1.259 . . . . 0.0 110.688 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -81.02 163.04 23.54 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.259 -0.901 . . . . 0.0 112.827 173.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -55.47 -48.16 74.98 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.647 -0.658 . . . . 0.0 112.323 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 m -59.95 -39.17 84.66 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.394 0.678 . . . . 0.0 112.051 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.9 -42.26 63.75 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.754 1.621 . . . . 0.0 111.962 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.64 89.28 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.018 0.527 . . . . 0.0 111.496 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -67.76 -40.7 84.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.427 1.091 . . . . 0.0 112.278 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -71.91 -21.03 61.69 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.9 m -80.73 -53.63 6.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.152 0.981 . . . . 0.0 111.27 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.16 -30.24 63.43 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 118.113 -0.946 . . . . 0.0 113.485 -173.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.45 -16.87 63.17 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.784 1.175 . . . . 0.0 112.963 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -95.35 -14.22 24.07 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.316 1.446 . . . . 0.0 113.118 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mmm -101.59 157.56 33.44 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.195 1.798 . . . . 0.0 110.614 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -68.11 163.48 35.8 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 121.901 1.734 . . . . 0.0 111.672 172.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.44 139.4 57.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.908 1.683 . . . . 0.0 113.517 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.96 10.59 78.4 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.727 1.156 . . . . 0.0 113.979 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -83.03 130.44 35.14 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.324 1.062 . . . . 0.0 108.679 169.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -135.61 160.16 39.37 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -174.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -145.12 159.23 43.31 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.132 1.373 . . . . 0.0 111.025 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.0 t -121.02 137.75 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.698 1.199 . . . . 0.0 109.541 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -138.62 161.09 37.99 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.722 1.609 . . . . 0.0 111.305 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.28 146.96 52.35 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.26 1.024 . . . . 0.0 111.12 168.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.6 t -84.86 117.64 24.01 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.228 -0.92 . . . . 0.0 113.178 -165.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.24 3.19 0.11 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -177.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.6 m -134.82 -11.41 2.31 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -153.44 98.77 2.68 Favored Pre-proline 0 N--CA 1.467 0.402 0 CA-C-O 118.512 -0.756 . . . . 0.0 110.427 -165.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -61.73 128.63 25.05 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 121.353 1.369 . . . . 0.0 111.216 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.88 -14.96 64.17 Favored Glycine 0 CA--C 1.541 1.657 0 CA-C-O 118.274 -1.292 . . . . 0.0 115.362 -176.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -80.68 160.29 25.05 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.426 1.613 . . . . 0.0 109.711 162.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -118.19 171.24 8.25 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.106 -0.996 . . . . 0.0 112.125 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.95 128.86 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.064 1.346 . . . . 0.0 109.743 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.79 127.95 35.02 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.816 1.646 . . . . 0.0 107.864 166.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.7 m -117.64 140.77 49.19 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.197 0.999 . . . . 0.0 109.64 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 143.26 41.99 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.136 1.374 . . . . 0.0 113.039 -170.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.9 p -87.36 112.6 22.27 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.403 -0.81 . . . . 0.0 109.705 165.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -147.64 138.05 23.12 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.457 1.103 . . . . 0.0 111.121 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 50.76 46.81 25.47 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.863 1.265 . . . . 0.0 112.931 173.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.03 9.86 54.86 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.946 1.26 . . . . 0.0 116.063 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -135.22 -167.19 1.96 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.855 1.662 . . . . 0.0 110.682 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.0 t -122.03 136.71 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.133 0.973 . . . . 0.0 110.255 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.8 p -114.65 161.42 18.13 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.316 2.246 . . . . 0.0 111.018 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -144.88 131.34 19.77 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.301 1.04 . . . . 0.0 111.133 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -131.87 136.18 47.24 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.479 1.511 . . . . 0.0 110.036 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -82.61 135.94 34.93 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.337 -0.852 . . . . 0.0 111.68 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.8 mt -109.9 81.62 1.47 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.711 2.404 . . . . 0.0 106.755 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.9 m -78.87 145.65 34.05 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.162 0.985 . . . . 0.0 111.591 -173.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.42 124.57 32.16 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -136.45 107.88 6.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.493 1.117 . . . . 0.0 109.73 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.253 36.8 mt-10 48.9 31.83 3.43 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -171.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.34 -4.28 84.22 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 120.818 -1.176 . . . . 0.0 114.87 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -94.78 174.85 6.9 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.613 1.965 . . . . 0.0 110.862 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.2 mm -112.28 115.73 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.204 1.402 . . . . 0.0 110.711 -171.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -98.11 130.07 44.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.528 1.531 . . . . 0.0 109.888 172.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tt -142.24 127.17 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.131 0.972 . . . . 0.0 110.557 173.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 t70 46.71 -115.12 0.57 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.24 0.616 . . . . 0.0 109.862 -160.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.7 p -93.68 -20.48 20.13 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.755 1.622 . . . . 0.0 113.223 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -77.13 146.67 37.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.579 1.552 . . . . 0.0 112.756 -171.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -124.97 124.68 42.53 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.344 1.058 . . . . 0.0 110.484 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -122.03 153.36 38.7 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.759 1.624 . . . . 0.0 110.815 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.04 -36.78 84.7 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -157.33 173.74 16.47 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.451 1.5 . . . . 0.0 110.932 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.04 -40.78 98.72 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.75 -33.54 74.09 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.904 0.774 . . . . 0.0 112.112 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.26 90.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.463 0.705 . . . . 0.0 112.804 169.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.32 80.72 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.677 0.671 . . . . 0.0 112.02 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.5 mm -62.71 -47.68 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.71 -0.619 . . . . 0.0 110.664 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.8 m -61.08 -39.54 90.31 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.462 0.705 . . . . 0.0 111.998 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -58.38 -45.14 88.89 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.151 0.887 . . . . 0.0 112.189 175.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -82.22 6.66 15.99 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.1 mtt -87.25 -41.44 13.69 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.04 -1.038 . . . . 0.0 111.258 160.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -73.89 -33.42 64.01 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.046 0.938 . . . . 0.0 112.551 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -122.65 156.98 33.21 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.279 1.432 . . . . 0.0 111.971 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -71.53 146.56 48.41 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.461 -0.774 . . . . 0.0 111.513 172.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.83 -55.79 3.49 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.414 1.086 . . . . 0.0 111.343 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -152.49 -46.49 0.1 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.248 1.419 . . . . 0.0 110.897 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -119.37 -20.11 7.99 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -160.02 174.96 13.56 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.873 1.269 . . . . 0.0 109.988 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.9 p -90.4 160.37 16.1 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.966 0.889 . . . . 0.0 112.333 166.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.5 mt -65.48 138.76 58.31 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.256 1.422 . . . . 0.0 110.612 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -126.08 -37.44 2.25 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -176.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -157.38 145.17 13.95 Favored Pre-proline 0 CA--C 1.546 0.806 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.1 140.7 34.88 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.964 2.443 . . . . 0.0 112.015 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.29 131.62 50.94 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.609 -0.682 . . . . 0.0 110.797 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -65.71 156.19 33.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.347 1.459 . . . . 0.0 112.563 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 127.226 2.21 . . . . 0.0 110.18 175.018 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 80.1 p -81.19 -22.04 39.18 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 25.7 m 57.1 16.94 3.18 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.327 1.851 . . . . 0.0 115.159 -172.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 157.98 152.91 6.53 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.335 1.445 . . . . 0.0 112.994 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.9 m -63.11 -29.08 70.52 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 49.6 p -64.81 -23.36 67.22 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.388 1.075 . . . . 0.0 113.219 172.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -72.42 -22.69 78.81 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.658 1.123 . . . . 0.0 113.964 173.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt -78.55 -37.24 43.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.505 1.153 . . . . 0.0 111.727 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.95 -15.43 51.33 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.444 1.098 . . . . 0.0 113.853 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.47 16.84 2.66 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.368 2.267 . . . . 0.0 114.755 -171.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.96 156.03 32.33 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.756 1.623 . . . . 0.0 112.273 -178.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.13 156.71 36.27 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.942 1.697 . . . . 0.0 110.789 170.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.83 145.39 78.91 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.131 0.972 . . . . 0.0 111.912 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -63.79 -32.44 67.4 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 122.809 2.34 . . . . 0.0 113.15 -170.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -77.28 -10.71 59.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.377 1.471 . . . . 0.0 114.194 174.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -86.21 132.06 34.09 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.52 1.509 . . . . 0.0 111.741 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -121.72 3.7 10.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.836 1.655 . . . . 0.0 114.426 -176.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -137.41 32.31 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 120.796 -1.19 . . . . 0.0 113.597 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.72 50.21 3.17 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 124.713 3.609 . . . . 0.0 113.668 -173.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 tp -74.14 151.83 39.98 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.88 1.272 . . . . 0.0 110.726 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.7 m -106.86 162.74 13.54 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.003 1.321 . . . . 0.0 111.958 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -52.99 -47.17 68.44 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.824 0.849 . . . . 0.0 112.636 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.1 m -59.89 -38.58 82.67 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.811 0.844 . . . . 0.0 112.4 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.18 -39.5 65.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.039 0.936 . . . . 0.0 112.034 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.66 99.9 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.452 0.701 . . . . 0.0 111.892 173.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.78 -48.81 77.52 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.383 1.073 . . . . 0.0 111.893 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.78 -31.09 72.16 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.629 0.649 . . . . 0.0 112.541 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -71.01 -48.51 52.73 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.533 0.606 . . . . 0.0 112.096 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.41 -26.76 35.13 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -173.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.8 tp -63.8 -24.99 67.98 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.313 0.96 . . . . 0.0 112.373 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -88.73 -11.67 44.45 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.511 1.525 . . . . 0.0 113.744 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.1 mmm -100.36 161.45 24.03 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.591 1.557 . . . . 0.0 113.362 -176.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.53 164.77 24.99 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.448 2.765 . . . . 0.0 112.675 171.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.64 140.38 51.29 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.116 1.367 . . . . 0.0 112.756 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.64 11.46 85.24 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.202 0.906 . . . . 0.0 114.057 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.8 m -74.64 127.22 32.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.112 0.956 . . . . 0.0 109.004 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -132.81 160.07 37.96 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.55 159.42 43.14 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 125.037 1.335 . . . . 0.0 110.959 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -126.17 138.41 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 124.816 1.246 . . . . 0.0 109.727 170.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -136.74 160.4 38.96 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.131 1.372 . . . . 0.0 111.977 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.3 133.67 56.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.845 0.858 . . . . 0.0 110.439 169.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -76.23 135.78 39.69 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -169.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.5 m -62.06 120.84 11.64 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.7 1.2 . . . . 0.0 111.031 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.2 m 52.78 23.93 3.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.688 1.595 . . . . 0.0 115.208 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.3 m -133.08 82.13 55.21 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 125.244 1.418 . . . . 0.0 110.965 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -58.59 134.0 58.07 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.257 2.638 . . . . 0.0 113.628 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.25 -1.72 63.84 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.62 1.105 . . . . 0.0 115.663 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -102.75 164.31 11.71 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.958 1.303 . . . . 0.0 111.7 174.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -127.82 170.3 12.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.166 1.386 . . . . 0.0 112.077 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -137.04 130.0 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.509 1.123 . . . . 0.0 110.111 176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -90.73 131.93 36.11 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.992 1.717 . . . . 0.0 108.603 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -123.41 141.73 51.7 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.538 0.735 . . . . 0.0 110.536 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.4 t -142.59 145.84 33.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.017 0.927 . . . . 0.0 112.651 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 p -82.88 102.33 11.58 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 122.423 1.106 . . . . 0.0 110.574 173.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.39 141.31 49.84 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.683 1.193 . . . . 0.0 112.648 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.55 35.7 21.53 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.506 1.522 . . . . 0.0 113.539 170.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.48 9.22 77.6 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.37 0.908 . . . . 0.0 115.37 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -131.09 -169.17 2.12 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.209 2.204 . . . . 0.0 111.024 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.34 130.94 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.576 1.15 . . . . 0.0 110.069 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.0 p -106.27 158.36 16.92 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.198 1.799 . . . . 0.0 111.379 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -142.12 138.48 31.68 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.055 1.342 . . . . 0.0 111.585 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -142.42 129.01 20.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.386 1.474 . . . . 0.0 112.108 -175.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -76.93 129.87 36.75 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.573 -0.704 . . . . 0.0 111.437 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.55 104.98 15.43 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.952 2.101 . . . . 0.0 107.568 170.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -94.81 141.08 29.04 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.308 1.443 . . . . 0.0 111.962 -171.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.53 122.25 32.52 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.656 -0.653 . . . . 0.0 111.554 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -136.62 126.86 26.4 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.756 1.222 . . . . 0.0 110.509 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 51.93 28.76 5.41 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.257 1.423 . . . . 0.0 114.674 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.27 84.87 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.497 1.522 . . . . 0.0 115.273 -176.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.36 158.94 15.21 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.315 1.846 . . . . 0.0 111.848 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.2 mm -92.92 118.55 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 125.322 1.449 . . . . 0.0 109.932 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -103.4 148.33 26.03 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.911 1.684 . . . . 0.0 110.885 170.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.9 tt -149.35 116.8 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.386 1.074 . . . . 0.0 109.017 169.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.3 t0 52.55 -102.09 0.13 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.647 1.579 . . . . 0.0 112.73 -168.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.9 p -109.95 -0.98 17.96 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.928 1.691 . . . . 0.0 113.734 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -92.1 148.47 22.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.777 1.631 . . . . 0.0 110.676 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.7 tp -137.45 135.11 36.56 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.42 1.488 . . . . 0.0 111.283 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -140.47 156.88 46.21 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.366 1.867 . . . . 0.0 111.861 -173.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.13 -36.49 84.44 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.486 -0.759 . . . . 0.0 113.036 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -156.35 172.41 18.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.232 1.413 . . . . 0.0 112.386 -172.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.02 -42.32 99.76 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.08 0.952 . . . . 0.0 113.026 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.51 -35.58 80.93 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.828 0.74 . . . . 0.0 112.203 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.53 89.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.939 0.896 . . . . 0.0 112.628 172.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.98 90.42 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.202 0.601 . . . . 0.0 112.347 175.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.33 -50.31 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.28 1.032 . . . . 0.0 110.482 171.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.1 m -59.73 -38.85 82.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.73 1.212 . . . . 0.0 112.409 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.16 -43.02 87.2 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.068 -1.02 . . . . 0.0 111.998 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -80.64 6.22 13.29 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.1 mtt -96.93 -37.77 10.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.507 1.123 . . . . 0.0 109.846 166.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -74.52 -29.24 61.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.631 1.172 . . . . 0.0 113.024 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -129.28 159.41 36.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.231 1.812 . . . . 0.0 111.536 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -75.88 145.84 40.22 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.959 -1.088 . . . . 0.0 111.5 174.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.68 -64.82 1.09 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.762 1.225 . . . . 0.0 110.863 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -139.93 -51.52 0.5 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.47 1.108 . . . . 0.0 111.726 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -111.84 -34.51 5.99 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.104 1.362 . . . . 0.0 111.622 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 t -154.19 -174.95 5.17 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.864 1.266 . . . . 0.0 112.063 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 61.6 p -85.81 169.29 13.5 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.524 1.529 . . . . 0.0 113.025 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.7 mt -76.07 134.43 40.06 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.412 1.485 . . . . 0.0 108.964 168.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -126.95 -37.81 2.08 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -169.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -152.37 146.44 18.38 Favored Pre-proline 0 N--CA 1.474 0.73 0 CA-C-N 118.933 0.788 . . . . 0.0 112.821 172.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.6 147.19 50.91 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.35 2.033 . . . . 0.0 111.341 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.58 143.61 57.69 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.663 -0.648 . . . . 0.0 110.317 169.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -86.87 143.82 27.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.859 0.864 . . . . 0.0 112.204 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.743 2.017 . . . . 0.0 112.589 173.475 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.171 -0.372 . . . . 0.0 112.171 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 32.9 t -72.62 150.0 43.44 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.06 0.944 . . . . 0.0 112.736 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 67.0 p -82.09 -10.86 59.06 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.077 1.351 . . . . 0.0 113.549 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -69.98 155.37 53.18 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.559 1.076 . . . . 0.0 113.888 177.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 38.8 t -151.49 152.66 33.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.131 1.372 . . . . 0.0 111.827 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 88.5 p -79.03 -14.93 58.88 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.231 . . . . 0.0 113.373 170.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 75.68 4.83 77.1 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 125.005 1.288 . . . . 0.0 114.981 -174.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 ttp -73.81 142.04 46.18 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.753 1.276 . . . . 0.0 111.935 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.54 113.37 9.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.898 1.279 . . . . 0.0 111.257 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -103.45 -0.13 30.36 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.101 1.36 . . . . 0.0 113.791 -174.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.44 147.01 49.95 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.188 0.995 . . . . 0.0 112.879 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.0 -178.71 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.291 1.836 . . . . 0.0 114.682 -174.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.79 150.15 95.0 Favored Pre-proline 0 CA--C 1.549 0.924 0 O-C-N 121.181 -0.949 . . . . 0.0 111.69 173.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -63.95 -28.18 66.66 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.961 2.441 . . . . 0.0 113.506 -173.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -74.73 -10.63 59.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.792 1.237 . . . . 0.0 114.282 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -85.77 131.73 34.26 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.392 1.451 . . . . 0.0 111.711 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -123.13 8.45 9.21 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.61 1.564 . . . . 0.0 114.409 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.08 -145.4 42.94 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 120.757 -1.214 . . . . 0.0 113.575 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.92 54.9 5.06 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 124.458 3.439 . . . . 0.0 113.159 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.55 143.35 48.33 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.687 1.195 . . . . 0.0 110.36 172.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -91.74 160.71 15.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.43 1.092 . . . . 0.0 111.941 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -50.72 -52.84 36.54 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.775 0.83 . . . . 0.0 112.688 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 m -58.18 -34.77 70.69 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -73.66 -42.39 61.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.396 1.078 . . . . 0.0 112.433 174.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.04 99.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.522 0.729 . . . . 0.0 111.971 174.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.29 -45.06 81.72 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.813 1.245 . . . . 0.0 111.811 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -64.52 -30.01 71.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.963 0.801 . . . . 0.0 112.935 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -73.67 -50.51 20.58 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.267 0.627 . . . . 0.0 111.583 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.3 -28.01 53.16 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -174.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.5 tp -64.77 -24.36 67.53 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.322 0.965 . . . . 0.0 112.331 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -91.04 -10.91 40.44 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.499 1.52 . . . . 0.0 113.812 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.5 mmm -97.35 161.68 25.23 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.525 1.53 . . . . 0.0 113.041 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.76 163.56 30.13 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.287 2.658 . . . . 0.0 112.382 170.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.32 143.96 51.7 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.602 1.161 . . . . 0.0 112.717 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.37 9.56 86.84 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.198 0.904 . . . . 0.0 114.431 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.6 m -77.17 128.75 34.94 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.405 1.103 . . . . 0.0 109.537 169.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -135.24 160.09 39.48 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -146.42 158.5 43.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.269 1.427 . . . . 0.0 110.602 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 t -123.8 137.68 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 124.565 1.146 . . . . 0.0 109.644 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -137.51 156.13 48.48 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.223 1.409 . . . . 0.0 111.73 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.07 134.5 55.07 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.12 0.568 . . . . 0.0 109.62 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.0 t -66.85 143.45 56.87 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -167.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 m -65.22 -26.88 68.31 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.704 1.202 . . . . 0.0 111.839 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.6 m -76.21 -51.88 11.18 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.68 0.792 . . . . 0.0 112.771 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.9 m -151.66 140.84 13.92 Favored Pre-proline 0 N--CA 1.476 0.825 0 C-N-CA 124.984 1.314 . . . . 0.0 111.937 -173.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -69.1 146.16 63.32 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 122.752 2.302 . . . . 0.0 111.711 174.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.63 -7.56 76.11 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.29 0.948 . . . . 0.0 114.656 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.66 157.51 17.37 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.926 1.69 . . . . 0.0 108.186 167.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -126.51 167.66 15.32 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -169.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.07 128.29 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.865 1.266 . . . . 0.0 109.867 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.5 tp -88.66 122.72 32.4 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.482 1.513 . . . . 0.0 107.9 169.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 m -112.1 137.4 50.21 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.281 0.632 . . . . 0.0 109.756 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.5 t -139.88 143.23 36.61 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.047 0.939 . . . . 0.0 112.087 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 p -80.38 112.84 18.1 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.194 -0.941 . . . . 0.0 109.351 170.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.52 136.98 38.16 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.619 1.168 . . . . 0.0 112.656 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 55.32 33.08 19.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.368 1.467 . . . . 0.0 113.958 172.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.04 7.75 86.74 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.667 1.127 . . . . 0.0 115.194 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 -170.45 2.45 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.965 2.106 . . . . 0.0 111.094 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.6 t -119.7 135.95 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.115 0.966 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.1 p -117.22 158.1 24.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.577 1.951 . . . . 0.0 111.316 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -139.73 136.6 34.34 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.085 1.354 . . . . 0.0 111.243 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -138.19 124.26 20.23 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.167 1.387 . . . . 0.0 111.541 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -78.57 138.17 38.24 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.411 0.684 . . . . 0.0 112.533 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -118.93 100.81 7.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.495 2.318 . . . . 0.0 107.638 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.6 m -94.03 139.88 30.4 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.352 1.061 . . . . 0.0 111.71 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.07 122.21 29.77 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.689 -0.632 . . . . 0.0 111.824 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -131.23 119.79 22.32 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.136 1.374 . . . . 0.0 109.937 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 51.38 30.44 6.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.089 1.355 . . . . 0.0 113.675 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.74 0.38 87.83 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.709 1.623 . . . . 0.0 115.427 -176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -101.77 160.83 14.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.315 1.846 . . . . 0.0 111.562 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.4 mm -98.78 111.83 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.661 1.584 . . . . 0.0 111.678 -169.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -96.86 121.96 39.3 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.615 1.966 . . . . 0.0 110.281 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 tt -141.31 125.67 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.606 1.162 . . . . 0.0 110.355 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.1 t0 45.86 -112.57 0.36 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.478 1.511 . . . . 0.0 112.833 -172.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.5 p -97.5 -1.74 43.43 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.222 1.409 . . . . 0.0 114.108 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -95.95 168.3 10.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.905 1.682 . . . . 0.0 112.257 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 tp -145.79 128.36 16.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.576 1.55 . . . . 0.0 108.904 169.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -125.86 153.89 43.47 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.462 1.505 . . . . 0.0 111.366 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.97 -35.54 80.87 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -157.35 172.36 18.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.645 1.578 . . . . 0.0 111.516 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.48 -41.73 98.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.807 0.843 . . . . 0.0 112.985 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.87 -35.32 80.24 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.407 -0.808 . . . . 0.0 112.205 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.62 93.69 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.791 0.836 . . . . 0.0 112.59 171.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.01 82.82 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.166 0.586 . . . . 0.0 111.997 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.4 mm -57.78 -49.1 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.035 0.934 . . . . 0.0 110.558 173.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.1 m -60.72 -41.66 95.74 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.584 1.154 . . . . 0.0 112.168 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.43 -43.65 93.05 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.088 -1.007 . . . . 0.0 111.66 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -78.08 3.32 15.24 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.1 mtt -95.05 -38.64 10.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.503 1.121 . . . . 0.0 110.032 166.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -74.46 -28.79 61.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.562 1.145 . . . . 0.0 113.038 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -130.02 157.5 42.19 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.258 1.823 . . . . 0.0 111.289 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -74.38 144.49 44.37 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.061 -1.025 . . . . 0.0 111.592 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -82.6 -64.66 1.13 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.699 1.2 . . . . 0.0 110.867 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -139.72 -55.22 0.56 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.678 1.191 . . . . 0.0 111.588 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -104.64 -35.68 7.73 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.004 1.322 . . . . 0.0 111.569 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 t -153.83 178.4 9.95 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.499 1.119 . . . . 0.0 112.636 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.5 p -80.98 164.54 22.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.653 1.581 . . . . 0.0 112.995 171.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.4 mt -73.14 138.69 45.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.39 1.476 . . . . 0.0 109.439 168.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -130.78 -39.94 1.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -170.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -150.02 144.42 17.6 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 118.794 0.725 . . . . 0.0 112.938 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.46 149.23 55.84 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.405 2.07 . . . . 0.0 111.164 172.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.37 143.39 57.85 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.556 -0.715 . . . . 0.0 110.522 169.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -79.27 145.95 33.25 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.948 0.899 . . . . 0.0 112.203 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.268 1.427 . . . . 0.0 112.091 173.662 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 19.5 m -61.08 -25.17 66.76 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -172.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 19.4 m -76.01 -2.67 31.71 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.072 1.349 . . . . 0.0 114.229 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -74.38 -1.15 60.06 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.204 1.383 . . . . 0.0 115.929 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 74.1 p -70.5 160.27 32.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.849 1.325 . . . . 0.0 113.266 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 77.5 p -143.72 158.31 43.77 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.194 1.398 . . . . 0.0 112.85 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -76.47 166.68 54.31 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.615 1.102 . . . . 0.0 114.465 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt -146.83 147.22 30.63 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.749 1.62 . . . . 0.0 110.72 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.78 51.48 16.45 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.289 1.435 . . . . 0.0 113.187 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -83.38 3.36 32.09 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -171.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.53 150.57 45.99 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.43 1.092 . . . . 0.0 112.911 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.38 170.8 0.06 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 127.009 2.124 . . . . 0.0 115.046 -173.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.85 143.1 83.97 Favored Pre-proline 0 CA--C 1.549 0.914 0 O-C-N 121.118 -0.989 . . . . 0.0 111.921 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.83 -23.71 41.17 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.062 2.508 . . . . 0.0 113.336 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -86.91 -5.81 58.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.609 1.563 . . . . 0.0 114.406 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -89.13 130.49 35.56 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.553 1.524 . . . . 0.0 112.479 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -121.16 8.57 10.36 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.262 1.425 . . . . 0.0 114.284 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.74 -145.24 46.59 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 120.939 -1.1 . . . . 0.0 113.101 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -77.8 55.26 5.17 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 124.417 3.412 . . . . 0.0 113.047 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -72.83 141.72 48.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.633 1.173 . . . . 0.0 110.572 174.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.2 m -88.2 160.3 17.78 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.036 0.935 . . . . 0.0 112.367 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -50.8 -54.05 26.83 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.833 0.853 . . . . 0.0 112.559 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -58.42 -36.18 73.23 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -175.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -70.59 -43.73 68.77 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.125 0.97 . . . . 0.0 112.357 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.74 99.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.501 0.72 . . . . 0.0 112.072 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -67.3 -44.78 78.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.755 1.222 . . . . 0.0 111.99 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -65.93 -33.61 76.23 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.236 0.925 . . . . 0.0 112.35 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.2 m -67.43 -47.55 69.87 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.449 0.568 . . . . 0.0 111.917 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.01 -26.92 43.23 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -64.91 -27.13 68.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.505 1.048 . . . . 0.0 112.292 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -85.65 -11.94 52.59 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.099 1.359 . . . . 0.0 113.665 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.0 mmm -99.48 162.02 22.65 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 125.995 1.718 . . . . 0.0 112.508 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.97 163.03 39.94 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.778 2.319 . . . . 0.0 112.114 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.52 138.17 52.23 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.502 1.121 . . . . 0.0 112.253 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.42 4.24 77.22 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.777 1.18 . . . . 0.0 115.273 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.4 m -76.18 129.78 37.26 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.892 0.877 . . . . 0.0 109.291 169.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -134.29 162.6 31.72 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -175.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -148.16 159.3 44.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.373 1.469 . . . . 0.0 111.002 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -122.88 137.61 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.671 1.188 . . . . 0.0 109.856 170.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ptt85 -136.79 153.91 50.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.213 1.405 . . . . 0.0 111.671 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.67 134.79 53.99 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.323 0.649 . . . . 0.0 109.628 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 t -67.01 132.45 47.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 122.266 1.032 . . . . 0.0 113.592 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -9.25 58.52 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.797 1.639 . . . . 0.0 113.755 174.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.9 p -104.72 -32.18 9.0 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 171.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.0 m -140.27 88.24 11.56 Favored Pre-proline 0 N--CA 1.473 0.709 0 C-N-CA 123.931 0.892 . . . . 0.0 112.195 -168.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -53.84 133.33 54.03 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.242 2.628 . . . . 0.0 112.931 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.24 -16.04 61.52 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.773 1.178 . . . . 0.0 114.657 -173.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -98.36 162.33 13.23 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.973 1.309 . . . . 0.0 109.675 167.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -121.33 169.78 10.26 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.205 -0.934 . . . . 0.0 112.292 -175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.9 t -137.38 128.03 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.811 1.244 . . . . 0.0 109.92 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 tp -87.92 120.99 29.8 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.781 1.632 . . . . 0.0 108.014 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 m -112.43 136.15 52.27 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.688 0.795 . . . . 0.0 109.745 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 t -140.35 142.99 35.52 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.017 0.927 . . . . 0.0 111.848 -174.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 p -78.96 113.43 17.07 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.008 -1.058 . . . . 0.0 109.014 170.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -140.81 141.3 34.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.149 0.979 . . . . 0.0 112.471 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 56.58 34.48 24.5 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.929 1.292 . . . . 0.0 113.789 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.96 7.86 71.84 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.32 0.962 . . . . 0.0 115.044 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -130.68 -169.28 2.12 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.286 2.235 . . . . 0.0 110.887 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -121.57 133.99 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.412 1.085 . . . . 0.0 110.044 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.5 p -114.05 156.74 23.58 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.505 1.922 . . . . 0.0 111.082 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -138.71 136.06 35.41 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.895 1.278 . . . . 0.0 111.182 -177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -138.55 123.47 18.89 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.27 1.428 . . . . 0.0 110.727 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -81.4 136.0 35.68 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.34 -0.85 . . . . 0.0 112.25 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -108.39 94.3 4.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.679 2.391 . . . . 0.0 107.401 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.5 m -86.24 135.54 33.52 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 124.949 1.3 . . . . 0.0 111.544 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.43 122.86 25.12 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.398 0.679 . . . . 0.0 110.748 172.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -132.65 104.22 6.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.043 1.737 . . . . 0.0 109.081 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 51.54 31.75 8.02 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.992 1.317 . . . . 0.0 113.998 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.17 -1.82 87.61 Favored Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.922 1.725 . . . . 0.0 115.44 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -101.7 170.01 8.45 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.215 1.806 . . . . 0.0 111.367 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.0 mm -104.79 116.83 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.017 1.327 . . . . 0.0 111.272 -170.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -103.03 128.39 49.9 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.622 1.569 . . . . 0.0 109.995 171.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 tt -139.29 127.0 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.956 1.302 . . . . 0.0 110.302 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.6 t70 55.51 -88.98 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.001 1.72 . . . . 0.0 111.854 -167.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.7 p -126.71 -12.81 5.99 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.606 1.563 . . . . 0.0 113.167 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -81.17 137.47 35.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.767 1.627 . . . . 0.0 111.192 -174.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.9 tp -109.39 134.1 52.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.009 1.324 . . . . 0.0 111.18 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -133.49 155.42 49.59 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 126.591 1.956 . . . . 0.0 111.096 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.99 -35.84 81.67 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -156.65 172.41 18.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.537 1.535 . . . . 0.0 111.709 -173.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.22 -42.89 99.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.735 0.814 . . . . 0.0 112.897 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.08 -35.25 80.15 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.564 -0.71 . . . . 0.0 112.377 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.11 91.34 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.58 0.752 . . . . 0.0 112.707 171.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.91 86.05 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.125 0.57 . . . . 0.0 112.17 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.25 -50.29 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.918 0.887 . . . . 0.0 110.389 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.5 m -59.11 -39.0 80.94 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.797 1.239 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -60.52 -46.06 91.53 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.148 -0.97 . . . . 0.0 111.756 173.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -78.37 -5.32 51.93 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.4 mmt -78.86 -37.21 40.9 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.889 -1.132 . . . . 0.0 109.901 166.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -82.74 -37.89 24.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.018 1.327 . . . . 0.0 112.666 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -117.98 150.78 38.68 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.731 1.612 . . . . 0.0 111.952 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.48 138.4 55.19 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.081 -1.012 . . . . 0.0 111.505 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.82 -62.53 1.66 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.751 1.22 . . . . 0.0 110.651 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -142.95 -52.44 0.38 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.643 1.177 . . . . 0.0 111.54 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -110.08 -31.91 7.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.111 1.364 . . . . 0.0 111.857 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -152.49 173.97 14.48 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.757 1.223 . . . . 0.0 112.419 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.9 p -85.12 160.79 19.87 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.77 1.228 . . . . 0.0 111.618 169.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.61 138.0 58.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.357 1.063 . . . . 0.0 110.399 173.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -117.48 -45.18 2.72 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.893 0.877 . . . . 0.0 112.882 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -155.71 147.98 17.56 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 123.799 0.839 . . . . 0.0 113.256 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -70.31 148.03 60.6 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.446 2.097 . . . . 0.0 111.086 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.2 tp -58.07 133.36 55.49 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.619 -0.676 . . . . 0.0 110.232 169.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -80.89 149.65 29.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.021 0.928 . . . . 0.0 111.963 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.867 1.667 . . . . 0.0 113.329 -178.811 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 76.9 p -148.52 172.09 15.06 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.287 1.435 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 15.7 m -74.72 3.31 8.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.976 1.311 . . . . 0.0 114.307 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -63.86 -8.81 30.25 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.434 1.492 . . . . 0.0 115.972 -175.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 66.9 p -73.47 -9.89 59.15 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.237 1.415 . . . . 0.0 113.874 169.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.3 t -130.13 162.28 29.19 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.218 1.807 . . . . 0.0 112.167 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 173.06 -171.88 44.75 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.972 1.272 . . . . 0.0 113.512 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt -71.94 153.43 41.84 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.132 0.973 . . . . 0.0 112.273 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.02 161.07 39.12 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.252 1.421 . . . . 0.0 112.2 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -80.03 78.94 6.63 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.584 1.154 . . . . 0.0 110.886 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.0 156.18 39.95 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.509 1.123 . . . . 0.0 113.254 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.7 166.7 24.03 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.884 1.674 . . . . 0.0 111.458 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.6 152.5 45.65 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.212 1.005 . . . . 0.0 113.006 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.16 -22.39 40.86 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.703 2.269 . . . . 0.0 112.893 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -94.69 -7.02 41.92 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.745 1.618 . . . . 0.0 114.776 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -89.08 132.83 34.61 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.42 1.464 . . . . 0.0 112.514 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -122.51 3.86 9.63 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.514 1.526 . . . . 0.0 114.422 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.74 -139.59 37.09 Favored Glycine 0 CA--C 1.538 1.516 0 CA-C-O 118.563 -1.132 . . . . 0.0 113.261 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -77.39 48.92 2.7 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 124.826 3.684 . . . . 0.0 113.809 -174.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.45 142.29 48.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.007 1.323 . . . . 0.0 110.457 174.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -95.06 169.53 10.05 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.722 0.809 . . . . 0.0 112.126 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -54.54 -52.27 62.59 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.76 0.824 . . . . 0.0 112.123 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 m -58.9 -36.31 74.49 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.358 0.526 . . . . 0.0 112.356 -175.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -71.75 -42.99 66.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.072 0.949 . . . . 0.0 112.162 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.08 99.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.611 0.764 . . . . 0.0 112.124 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.68 -47.71 80.1 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.378 1.471 . . . . 0.0 111.635 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.57 -33.2 75.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.874 0.761 . . . . 0.0 112.351 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -70.24 -48.61 56.15 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.462 0.574 . . . . 0.0 112.236 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mp -79.52 -25.91 41.63 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.63 -26.39 67.04 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.601 1.091 . . . . 0.0 112.208 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.49 -13.0 53.19 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.155 1.382 . . . . 0.0 113.467 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mmm -98.18 162.12 23.12 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 126.105 1.762 . . . . 0.0 112.522 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -71.4 163.93 37.42 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.884 2.389 . . . . 0.0 112.06 171.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.44 140.49 50.33 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.904 1.282 . . . . 0.0 112.255 174.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.11 2.54 80.45 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.077 1.322 . . . . 0.0 115.272 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.4 m -77.62 132.7 38.38 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.357 1.079 . . . . 0.0 110.061 169.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.72 161.94 34.56 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.45 160.61 42.39 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.272 1.429 . . . . 0.0 111.325 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.6 t -123.44 138.32 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.594 1.158 . . . . 0.0 110.037 170.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -137.76 155.01 49.51 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.348 1.459 . . . . 0.0 111.609 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.4 134.29 56.24 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.637 0.775 . . . . 0.0 109.641 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -68.92 130.93 44.19 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 122.46 1.124 . . . . 0.0 113.891 -168.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -75.75 -7.77 55.2 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.741 1.617 . . . . 0.0 113.212 170.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.3 m -96.08 -30.52 13.5 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.574 1.149 . . . . 0.0 113.789 174.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -156.74 129.76 4.41 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.804 0.842 . . . . 0.0 112.528 -174.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.45 137.9 40.83 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.698 2.266 . . . . 0.0 111.837 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.4 -8.22 65.46 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.494 1.045 . . . . 0.0 115.198 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -96.37 165.45 12.18 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.09 1.356 . . . . 0.0 110.07 168.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -127.77 167.76 16.06 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.174 -0.954 . . . . 0.0 112.622 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.2 t -136.42 129.64 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.809 1.244 . . . . 0.0 109.855 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.9 tp -90.4 124.73 35.19 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.048 1.739 . . . . 0.0 107.733 169.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.6 m -118.68 135.77 54.29 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.744 0.818 . . . . 0.0 110.267 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 65.6 m -138.83 138.41 37.49 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.35 1.06 . . . . 0.0 112.385 -170.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 p -78.26 106.77 10.4 Favored 'General case' 0 CA--C 1.527 0.071 0 C-N-CA 123.856 0.862 . . . . 0.0 108.968 169.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -143.17 149.41 37.99 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.05 0.94 . . . . 0.0 112.949 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 56.84 32.68 21.81 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.269 1.428 . . . . 0.0 113.832 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.92 11.22 78.43 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.604 1.097 . . . . 0.0 114.969 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -136.74 -170.13 2.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.317 2.247 . . . . 0.0 110.798 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.82 139.88 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.463 1.105 . . . . 0.0 109.718 171.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.9 p -127.98 156.91 41.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.818 1.647 . . . . 0.0 111.066 -172.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -137.6 140.71 41.11 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.755 1.222 . . . . 0.0 111.707 -174.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -140.31 125.3 18.45 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.726 1.61 . . . . 0.0 110.415 -174.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -81.29 135.78 35.74 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.493 -0.754 . . . . 0.0 112.672 -173.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mt -111.79 95.99 5.81 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.249 2.219 . . . . 0.0 107.607 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.7 m -91.5 136.01 33.43 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.648 1.179 . . . . 0.0 111.726 -173.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.2 129.35 34.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.483 0.713 . . . . 0.0 112.338 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -133.15 107.72 8.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.368 1.467 . . . . 0.0 109.94 170.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 51.83 30.41 7.0 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.833 1.253 . . . . 0.0 114.111 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.0 -9.29 77.39 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 126.177 1.846 . . . . 0.0 115.383 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.11 159.52 22.07 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.876 1.338 . . . . 0.0 111.524 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mm -108.15 112.08 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 126.067 1.747 . . . . 0.0 110.575 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -96.54 127.96 43.02 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.031 1.732 . . . . 0.0 109.976 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.9 tt -144.22 127.81 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.151 0.98 . . . . 0.0 111.668 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 55.59 -75.23 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.777 2.431 . . . . 0.0 114.701 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 t -142.05 -2.75 1.13 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.52 1.928 . . . . 0.0 112.84 175.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -100.01 150.67 22.2 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.635 1.974 . . . . 0.0 110.934 -174.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.0 tp -128.03 131.68 49.16 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.439 1.496 . . . . 0.0 110.654 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -131.38 157.48 43.29 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.672 1.589 . . . . 0.0 112.19 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.28 -35.77 82.05 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -157.44 173.05 17.5 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.53 1.532 . . . . 0.0 112.206 -173.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.86 -43.52 98.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.143 0.977 . . . . 0.0 113.095 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.39 -34.99 78.94 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.392 -0.817 . . . . 0.0 112.337 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.48 89.97 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.831 0.853 . . . . 0.0 112.603 172.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.99 81.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.279 0.631 . . . . 0.0 112.088 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.8 mm -57.57 -50.57 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.13 0.972 . . . . 0.0 110.498 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.1 m -60.64 -42.02 96.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.583 1.153 . . . . 0.0 112.178 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -58.84 -43.23 90.68 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.177 -0.952 . . . . 0.0 111.706 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -77.87 4.37 12.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 55.2 mtt -96.71 -36.06 10.8 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.5 1.12 . . . . 0.0 110.188 166.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.61 -28.89 56.3 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.261 1.024 . . . . 0.0 113.076 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -131.1 159.48 37.5 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.37 1.868 . . . . 0.0 111.558 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -73.7 144.11 45.91 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.049 -1.032 . . . . 0.0 111.751 175.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tt -83.01 -63.41 1.37 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.675 1.19 . . . . 0.0 110.618 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -144.51 -65.57 0.35 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.317 1.447 . . . . 0.0 110.338 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -89.78 -35.11 15.9 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.273 1.029 . . . . 0.0 112.809 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -158.97 -176.59 5.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.811 1.644 . . . . 0.0 111.141 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 p -89.87 159.52 16.93 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.634 1.574 . . . . 0.0 112.143 169.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.8 mt -66.33 137.88 57.22 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.065 1.346 . . . . 0.0 110.92 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -113.88 -46.88 2.99 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -152.22 145.73 17.81 Favored Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.79 141.8 31.05 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.837 2.358 . . . . 0.0 111.56 173.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.67 133.69 56.34 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.624 -0.673 . . . . 0.0 109.435 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -78.32 134.02 37.54 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.688 -0.633 . . . . 0.0 111.56 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 C-N-CA 126.221 1.808 . . . . 0.0 111.857 175.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 31.2 m 52.41 37.01 21.5 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.856 1.262 . . . . 0.0 113.05 -171.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 13.8 m -72.51 153.01 41.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.739 1.616 . . . . 0.0 113.521 -169.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 73.82 -169.31 53.69 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.42 1.009 . . . . 0.0 114.476 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 59.7 p -151.91 177.49 10.39 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.411 1.484 . . . . 0.0 112.241 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.1 m -70.74 -5.17 27.95 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.647 1.179 . . . . 0.0 114.133 173.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 73.09 -171.82 50.49 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.876 1.227 . . . . 0.0 114.471 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ptm -80.39 46.68 0.86 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.767 1.627 . . . . 0.0 113.709 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.05 149.09 45.91 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.702 1.201 . . . . 0.0 113.131 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -100.84 25.12 8.3 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.212 1.405 . . . . 0.0 113.313 -173.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.85 152.02 45.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.485 1.114 . . . . 0.0 113.494 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.52 169.66 17.28 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.883 1.673 . . . . 0.0 111.788 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.35 146.9 92.52 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 123.833 0.853 . . . . 0.0 112.137 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.32 -22.65 52.68 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.18 2.587 . . . . 0.0 113.767 -171.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -83.51 -7.5 59.52 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.318 1.447 . . . . 0.0 114.461 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -88.62 131.0 35.15 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.62 1.555 . . . . 0.0 112.56 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -122.85 8.29 9.37 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.408 1.483 . . . . 0.0 114.618 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.82 -142.04 39.31 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 120.74 -1.225 . . . . 0.0 113.574 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -77.6 51.51 3.59 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 124.811 3.674 . . . . 0.0 113.415 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.36 141.16 48.76 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.056 1.343 . . . . 0.0 110.697 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.2 p -83.61 167.67 17.08 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.624 -0.672 . . . . 0.0 112.352 174.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -57.23 -50.92 71.36 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.758 -0.589 . . . . 0.0 110.797 168.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -57.87 -40.45 80.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.696 0.798 . . . . 0.0 112.371 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -67.85 -42.88 80.66 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.359 0.664 . . . . 0.0 112.17 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.18 99.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.517 0.727 . . . . 0.0 112.151 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.48 -45.08 85.05 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.496 1.118 . . . . 0.0 112.019 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -64.96 -33.1 75.23 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.94 0.791 . . . . 0.0 112.299 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -70.61 -50.45 36.92 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.239 0.616 . . . . 0.0 111.934 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 46' ' ' CYS . 7.0 mp -77.43 -21.73 52.58 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -175.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.1 tp -70.45 -28.29 64.9 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.399 1.0 . . . . 0.0 112.249 171.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -79.1 -32.98 44.81 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.304 1.042 . . . . 0.0 112.498 173.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.6 mmm -78.63 161.48 69.24 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 125.51 1.524 . . . . 0.0 113.117 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.67 162.29 40.0 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.217 2.611 . . . . 0.0 112.236 173.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -57.37 132.86 54.35 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.955 1.302 . . . . 0.0 112.14 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.31 0.19 59.77 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.426 1.489 . . . . 0.0 114.475 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 m -74.9 131.9 41.06 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.825 0.85 . . . . 0.0 109.33 169.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -136.56 162.16 33.88 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -148.79 158.75 44.38 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.943 1.297 . . . . 0.0 111.054 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.6 t -122.9 138.85 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.786 1.234 . . . . 0.0 109.915 170.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -139.27 155.86 47.45 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.215 1.406 . . . . 0.0 111.77 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.97 135.31 57.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.484 0.714 . . . . 0.0 109.699 169.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.3 t -67.51 134.33 51.11 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -168.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -7.85 56.49 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.64 1.576 . . . . 0.0 113.253 171.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.0 m -82.22 -52.62 6.78 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.216 0.916 . . . . 0.0 111.994 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -153.44 144.97 16.52 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 124.766 1.227 . . . . 0.0 112.053 -170.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.6 148.46 78.3 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 122.957 2.438 . . . . 0.0 112.138 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.6 -5.66 73.1 Favored Glycine 0 CA--C 1.541 1.686 0 C-N-CA 124.582 1.087 . . . . 0.0 115.298 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -105.02 162.58 13.24 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.675 1.59 . . . . 0.0 110.268 169.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -126.74 167.97 15.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.104 0.961 . . . . 0.0 112.273 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -138.43 130.95 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.759 1.224 . . . . 0.0 110.03 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.6 tp -92.09 121.11 33.33 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.426 1.89 . . . . 0.0 108.31 170.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -113.08 134.98 54.28 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.677 0.791 . . . . 0.0 110.027 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.4 ' C ' HD23 ' A' ' 22' ' ' LEU . 77.4 m -136.55 142.68 43.43 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.546 1.138 . . . . 0.0 112.481 -172.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.9 p -81.8 112.39 18.9 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.304 -0.873 . . . . 0.0 108.784 169.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -138.53 134.86 34.44 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.131 0.973 . . . . 0.0 112.558 -174.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.5 t30 52.63 37.58 23.76 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.395 1.478 . . . . 0.0 113.851 170.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.5 7.16 78.43 Favored Glycine 0 CA--C 1.541 1.682 0 N-CA-C 115.565 0.986 . . . . 0.0 115.565 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -127.48 -172.26 2.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.041 2.137 . . . . 0.0 110.96 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -120.51 135.1 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.459 1.104 . . . . 0.0 110.066 173.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 p -117.88 157.77 26.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.622 1.969 . . . . 0.0 111.192 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -138.0 136.53 37.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.963 1.305 . . . . 0.0 111.1 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -136.7 126.26 25.27 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.446 1.498 . . . . 0.0 111.021 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.95 128.14 33.11 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.549 -0.719 . . . . 0.0 111.644 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.3 87.08 2.95 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.216 2.206 . . . . 0.0 107.286 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 m -82.65 139.41 33.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 125.12 1.368 . . . . 0.0 111.733 -174.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.2 127.9 32.95 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.176 0.591 . . . . 0.0 111.223 173.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -139.73 108.08 5.82 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.489 1.516 . . . . 0.0 109.726 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 53.26 30.65 10.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.888 1.275 . . . . 0.0 113.962 -175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.93 -0.53 89.65 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.954 1.74 . . . . 0.0 115.306 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -102.76 173.93 6.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.675 1.99 . . . . 0.0 111.143 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.4 mm -107.11 119.53 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.151 1.381 . . . . 0.0 111.239 -171.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -105.14 129.47 53.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.722 1.609 . . . . 0.0 109.941 171.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.19 125.51 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.006 1.322 . . . . 0.0 109.778 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 53.36 -101.58 0.12 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.011 1.324 . . . . 0.0 111.174 -167.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.0 p -109.96 -15.17 14.13 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.998 1.319 . . . . 0.0 113.783 170.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -80.94 134.23 35.68 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.546 1.538 . . . . 0.0 111.417 -172.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.7 tp -105.76 134.25 49.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.671 1.188 . . . . 0.0 110.806 170.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -131.92 154.67 49.02 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.736 2.014 . . . . 0.0 110.872 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.64 -36.08 82.67 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -156.42 172.16 18.99 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.506 1.522 . . . . 0.0 111.658 -173.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.34 -43.29 99.12 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.775 0.83 . . . . 0.0 112.949 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -63.82 -35.6 81.17 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.634 -0.666 . . . . 0.0 112.334 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.34 93.34 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.704 0.802 . . . . 0.0 112.602 172.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.53 87.41 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.237 0.615 . . . . 0.0 112.154 176.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.61 -49.08 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.09 0.956 . . . . 0.0 110.452 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.1 m -59.35 -41.16 88.55 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.433 1.093 . . . . 0.0 112.242 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.11 -43.98 91.96 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.118 -0.989 . . . . 0.0 111.789 175.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -79.57 2.34 22.62 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 51.7 mtt -92.14 -37.5 12.7 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.26 1.024 . . . . 0.0 109.895 166.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -76.55 -28.94 56.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.602 1.161 . . . . 0.0 113.115 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.85 156.54 44.2 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.09 1.756 . . . . 0.0 111.622 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.73 144.67 47.56 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.948 -1.095 . . . . 0.0 111.656 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tt -83.19 -62.55 1.56 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.755 1.222 . . . . 0.0 110.866 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -144.0 -54.57 0.36 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.234 1.014 . . . . 0.0 111.687 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.59 -30.92 7.17 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.507 1.523 . . . . 0.0 111.913 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -149.35 176.01 10.93 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.053 1.341 . . . . 0.0 112.26 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.3 p -89.92 167.44 12.81 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.235 1.414 . . . . 0.0 111.787 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 mt -72.66 124.37 25.15 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.324 1.05 . . . . 0.0 109.783 170.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -110.07 -42.55 4.16 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.087 0.955 . . . . 0.0 112.948 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -155.31 146.88 16.93 Favored Pre-proline 0 N--CA 1.472 0.669 0 C-N-CA 123.775 0.83 . . . . 0.0 113.102 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -70.48 145.93 54.36 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.472 2.115 . . . . 0.0 110.927 170.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.75 135.31 56.77 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.559 -0.713 . . . . 0.0 110.381 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -81.46 151.43 27.85 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.87 0.868 . . . . 0.0 111.739 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.142 0 C-N-CA 125.83 1.652 . . . . 0.0 112.47 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.3 m -136.72 150.56 48.5 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.216 1.407 . . . . 0.0 111.863 -176.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 43.4 m -58.28 130.98 49.2 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.167 0.987 . . . . 0.0 111.671 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 61.1 15.15 42.53 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.09 0.852 . . . . 0.0 114.927 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.2 m 56.73 23.06 7.48 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.09 1.756 . . . . 0.0 114.385 -169.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 67.6 m -71.13 142.16 50.75 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.395 1.078 . . . . 0.0 113.065 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -84.41 -163.84 36.8 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.889 1.233 . . . . 0.0 113.923 174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.4 mtm -130.9 152.16 50.53 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.621 1.568 . . . . 0.0 111.2 176.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.38 142.19 50.35 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.592 0.757 . . . . 0.0 112.212 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -85.05 62.05 7.26 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.561 1.144 . . . . 0.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 56.18 17.23 2.65 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.626 1.97 . . . . 0.0 115.718 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.43 152.04 45.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.157 1.383 . . . . 0.0 112.748 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.49 150.48 44.55 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.518 1.127 . . . . 0.0 113.055 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -67.22 -16.76 49.37 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.174 2.583 . . . . 0.0 113.667 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -96.59 -3.07 43.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.369 1.867 . . . . 0.0 114.195 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -90.48 130.68 36.51 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 120.273 1.397 . . . . 0.0 112.941 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -118.83 -0.0 11.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.406 1.483 . . . . 0.0 114.729 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.41 -139.44 35.53 Favored Glycine 0 CA--C 1.54 1.649 0 CA-C-O 118.308 -1.273 . . . . 0.0 113.419 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -65.21 32.48 0.1 Allowed 'Trans proline' 0 CA--C 1.552 1.375 1 C-N-CA 125.848 4.366 . . . . 0.0 117.947 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.13 137.95 56.7 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.161 1.385 . . . . 0.0 111.264 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -94.1 173.36 7.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.083 0.953 . . . . 0.0 112.371 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -54.5 -55.98 23.51 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.984 0.914 . . . . 0.0 111.88 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 m -59.37 -35.43 73.9 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -173.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -69.98 -41.03 74.98 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.9 0.88 . . . . 0.0 112.51 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.92 84.03 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.722 0.809 . . . . 0.0 112.034 173.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -64.68 -47.33 78.77 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.472 1.509 . . . . 0.0 111.763 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -66.79 -16.92 64.6 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.1 m -86.88 -54.37 4.39 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.178 0.991 . . . . 0.0 111.743 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.68 -24.08 61.77 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -175.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.0 -27.07 67.85 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.252 0.933 . . . . 0.0 112.584 172.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -86.14 -22.57 26.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.924 1.29 . . . . 0.0 112.823 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.0 mmm -86.13 161.19 50.19 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 125.985 1.714 . . . . 0.0 112.36 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.23 162.44 41.63 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 122.778 2.318 . . . . 0.0 111.817 172.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -54.4 141.43 30.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.734 1.214 . . . . 0.0 112.252 172.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.51 2.7 82.07 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.224 0.916 . . . . 0.0 114.859 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -79.5 131.17 35.97 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.375 1.087 . . . . 0.0 109.245 169.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -138.79 163.01 33.32 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -150.27 158.19 43.89 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.152 1.381 . . . . 0.0 110.995 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.0 t -122.78 138.41 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.496 1.119 . . . . 0.0 109.986 172.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -141.25 160.26 40.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.16 1.384 . . . . 0.0 112.05 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.99 139.52 58.41 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.379 1.071 . . . . 0.0 111.44 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 t -73.55 148.12 43.31 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -171.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 p -71.0 -12.26 61.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.372 1.869 . . . . 0.0 113.978 172.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.8 p -147.93 154.19 40.04 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.823 1.649 . . . . 0.0 111.754 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.8 m 50.53 80.4 0.3 Allowed Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 125.736 1.614 . . . . 0.0 114.071 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -49.23 135.71 31.14 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.981 3.12 . . . . 0.0 113.807 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.96 -17.11 55.09 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.232 1.396 . . . . 0.0 113.434 -169.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -85.38 161.97 19.23 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.369 1.067 . . . . 0.0 111.075 168.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -129.81 174.01 10.12 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.256 1.422 . . . . 0.0 111.785 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.37 127.96 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.808 1.243 . . . . 0.0 110.173 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.7 tp -89.6 123.33 33.57 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.651 1.58 . . . . 0.0 108.041 169.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -116.04 134.16 55.25 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.863 0.865 . . . . 0.0 110.062 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -137.41 144.15 42.25 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.399 1.08 . . . . 0.0 112.591 -170.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.5 p -81.79 115.1 20.85 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 168.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -143.03 136.22 28.19 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.693 1.197 . . . . 0.0 112.217 -174.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 t30 52.84 37.34 23.86 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.934 1.694 . . . . 0.0 113.989 172.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.1 7.93 72.71 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -130.03 -170.4 2.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.286 2.234 . . . . 0.0 110.791 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.15 136.81 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.541 1.136 . . . . 0.0 110.279 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.4 p -120.6 159.16 25.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.692 1.997 . . . . 0.0 111.371 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -140.21 138.13 34.87 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.977 1.311 . . . . 0.0 111.358 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -138.56 127.94 24.49 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.246 1.419 . . . . 0.0 111.895 -174.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -73.14 129.46 38.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.96 0.904 . . . . 0.0 111.431 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.48 97.24 7.1 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.526 1.931 . . . . 0.0 107.497 169.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.1 m -88.23 133.49 34.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.76 1.224 . . . . 0.0 111.359 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.92 125.22 28.94 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.794 -0.566 . . . . 0.0 110.59 172.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -137.24 108.32 6.76 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.636 1.574 . . . . 0.0 109.458 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.6 33.08 7.52 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.265 1.426 . . . . 0.0 114.699 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.86 88.58 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 125.965 1.745 . . . . 0.0 115.397 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -102.83 174.5 5.85 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.089 2.156 . . . . 0.0 111.103 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.3 mm -110.37 121.56 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.544 1.537 . . . . 0.0 111.056 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -105.33 130.49 53.44 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.959 1.704 . . . . 0.0 109.943 171.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.8 tt -139.28 126.8 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.745 1.218 . . . . 0.0 110.167 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.2 t70 55.37 -89.65 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.968 1.707 . . . . 0.0 111.878 -167.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.5 p -125.26 -13.43 6.7 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.442 1.497 . . . . 0.0 113.347 169.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -79.79 134.39 36.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.623 1.569 . . . . 0.0 111.041 -174.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.74 134.29 49.1 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.588 1.155 . . . . 0.0 111.103 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -132.39 155.33 48.65 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 127.065 2.146 . . . . 0.0 110.627 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.01 -35.2 79.91 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -156.74 172.66 18.22 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.347 1.459 . . . . 0.0 111.598 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.0 mt -60.77 -43.26 98.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.768 0.827 . . . . 0.0 112.733 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.01 -35.27 80.15 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.528 -0.733 . . . . 0.0 112.298 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.82 90.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.65 0.78 . . . . 0.0 112.627 172.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.53 85.18 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.493 0.588 . . . . 0.0 112.111 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.3 mm -59.04 -49.84 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.844 0.857 . . . . 0.0 110.292 172.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.6 m -59.25 -38.47 80.13 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.76 1.224 . . . . 0.0 112.422 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -61.45 -46.74 88.79 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.121 -0.987 . . . . 0.0 111.794 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.78 -6.33 51.82 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.4 mmt -75.86 -35.34 59.94 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.76 -1.212 . . . . 0.0 110.136 166.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -88.79 -29.02 20.07 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.996 1.318 . . . . 0.0 113.322 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.18 150.46 48.3 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.608 1.563 . . . . 0.0 112.002 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.53 138.66 55.33 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.006 -1.059 . . . . 0.0 111.503 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -79.79 -62.07 1.8 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.745 1.218 . . . . 0.0 110.579 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -144.25 -50.3 0.29 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.515 1.126 . . . . 0.0 111.543 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -111.48 -33.21 6.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.326 1.45 . . . . 0.0 111.658 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.0 t -152.53 175.03 13.19 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.813 1.245 . . . . 0.0 112.706 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.9 p -89.03 164.09 15.23 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.741 1.616 . . . . 0.0 112.381 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.8 mt -70.12 145.44 51.57 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.315 1.046 . . . . 0.0 110.75 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -128.65 -41.02 1.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -153.22 145.31 16.93 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.09 149.93 37.06 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.76 2.307 . . . . 0.0 111.709 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.9 tp -73.64 144.86 45.73 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 166.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -74.57 132.98 42.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.862 0.865 . . . . 0.0 111.459 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.191 1.796 . . . . 0.0 112.389 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 32.2 m -67.26 154.53 41.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.569 1.148 . . . . 0.0 113.125 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 61.6 p -73.04 -15.56 61.51 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.803 1.241 . . . . 0.0 114.294 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -167.37 167.66 40.03 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.801 1.667 . . . . 0.0 112.461 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 43.1 m -72.28 145.45 47.88 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.248 1.019 . . . . 0.0 112.853 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 82.5 p -80.47 -21.3 42.18 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.518 1.127 . . . . 0.0 113.958 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 75.6 6.59 81.57 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.949 1.261 . . . . 0.0 115.062 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -66.44 -18.0 65.11 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.103 1.451 . . . . 0.0 114.847 -173.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.32 7.75 45.24 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.572 1.549 . . . . 0.0 114.175 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -140.82 138.57 34.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.341 1.456 . . . . 0.0 111.249 -176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.28 152.23 41.44 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.525 1.53 . . . . 0.0 111.949 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.73 159.94 44.19 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.508 1.523 . . . . 0.0 111.367 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.27 145.94 9.42 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 124.892 1.277 . . . . 0.0 111.905 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -59.76 -30.14 91.32 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.532 2.821 . . . . 0.0 114.413 -168.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -76.43 -9.34 58.57 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.717 1.376 . . . . 0.0 114.717 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -85.19 131.84 34.37 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.642 1.564 . . . . 0.0 112.527 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -122.66 7.92 9.47 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.382 1.473 . . . . 0.0 114.414 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.74 -145.92 46.03 Favored Glycine 0 CA--C 1.539 1.594 0 O-C-N 120.884 -1.135 . . . . 0.0 113.622 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -67.36 39.21 0.17 Allowed 'Trans proline' 0 CA--C 1.549 1.259 1 C-N-CA 125.598 4.199 . . . . 0.0 117.0 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.8 142.18 57.45 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.679 1.192 . . . . 0.0 111.15 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.3 m -96.23 163.71 12.98 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.49 1.116 . . . . 0.0 112.015 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -49.47 -55.72 12.24 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.102 0.961 . . . . 0.0 113.029 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -58.89 -34.37 71.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -72.01 -44.5 63.32 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.064 0.945 . . . . 0.0 112.122 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.3 99.12 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.696 0.798 . . . . 0.0 112.143 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.18 -41.74 94.3 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.657 1.183 . . . . 0.0 112.04 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -63.71 -31.71 72.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.335 0.971 . . . . 0.0 113.403 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.8 m -75.47 -53.79 8.09 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.923 0.783 . . . . 0.0 111.533 172.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -70.72 -24.18 62.6 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.9 tp -70.17 -26.74 64.05 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.133 0.879 . . . . 0.0 112.362 173.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -88.56 -25.29 22.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.006 1.322 . . . . 0.0 112.99 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.6 mmm -79.55 160.82 69.04 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.488 1.515 . . . . 0.0 112.924 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -72.04 163.3 39.21 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.291 2.661 . . . . 0.0 112.331 172.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.79 138.95 55.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.812 1.245 . . . . 0.0 112.509 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 2.13 76.81 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.734 1.159 . . . . 0.0 115.019 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.3 m -77.55 132.27 38.26 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.312 1.056 . . . . 0.0 109.333 169.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -139.38 161.63 36.99 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.6 158.93 44.22 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.973 1.309 . . . . 0.0 111.171 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.91 137.83 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.887 1.275 . . . . 0.0 109.751 172.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -136.26 154.02 51.02 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.239 1.416 . . . . 0.0 111.671 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.97 133.72 55.74 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 169.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 t -67.27 134.61 51.95 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -167.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.02 -6.31 48.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.81 1.644 . . . . 0.0 113.143 170.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 m -80.94 -55.17 4.97 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.922 0.783 . . . . 0.0 111.473 169.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m -154.2 144.46 15.73 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 125.38 1.472 . . . . 0.0 111.722 -175.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.75 148.71 83.21 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.802 2.335 . . . . 0.0 112.069 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.89 -10.99 61.02 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.683 1.135 . . . . 0.0 114.948 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -101.61 162.81 12.63 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.505 1.522 . . . . 0.0 109.586 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -128.39 168.15 15.98 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.315 -0.865 . . . . 0.0 112.499 -175.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -137.49 129.85 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.856 1.263 . . . . 0.0 109.832 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.1 tp -90.63 124.2 34.87 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 126.034 1.734 . . . . 0.0 108.161 170.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 m -114.75 134.08 55.39 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.032 0.933 . . . . 0.0 109.719 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -137.15 140.07 41.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.421 1.089 . . . . 0.0 112.355 -172.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 p -81.69 107.97 14.87 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.666 0.786 . . . . 0.0 109.253 169.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -141.4 147.64 38.32 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.26 1.024 . . . . 0.0 112.72 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 57.05 33.3 23.13 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.233 1.413 . . . . 0.0 113.692 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.75 8.26 67.47 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.503 1.049 . . . . 0.0 114.89 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -130.82 -168.58 2.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.874 2.07 . . . . 0.0 111.068 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.21 136.59 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.627 1.171 . . . . 0.0 109.79 173.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.9 p -126.79 158.69 35.93 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.556 1.543 . . . . 0.0 111.599 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -134.44 140.08 45.99 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.108 1.363 . . . . 0.0 111.599 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -138.98 125.61 20.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.398 1.479 . . . . 0.0 110.826 -173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -78.79 130.07 35.33 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.463 -0.773 . . . . 0.0 111.81 -175.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 mt -104.54 91.31 3.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.306 2.243 . . . . 0.0 107.407 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -85.66 136.42 33.38 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.889 1.275 . . . . 0.0 111.575 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.51 126.91 31.65 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.294 0.638 . . . . 0.0 110.899 173.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -137.8 101.9 4.58 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.328 1.451 . . . . 0.0 109.794 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 53.34 30.83 10.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.787 1.235 . . . . 0.0 113.876 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.64 -6.02 84.08 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 126.141 1.829 . . . . 0.0 115.384 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.22 168.47 11.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.899 1.68 . . . . 0.0 111.657 171.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.4 mm -106.29 117.46 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.786 1.634 . . . . 0.0 110.307 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -102.51 128.9 48.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.827 1.651 . . . . 0.0 109.921 172.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.4 tt -139.31 126.19 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.718 1.207 . . . . 0.0 110.202 175.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t70 54.89 -89.13 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.99 1.716 . . . . 0.0 112.055 -167.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.2 p -125.13 -13.59 6.74 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.549 1.539 . . . . 0.0 113.438 169.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -80.44 139.01 36.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.718 1.607 . . . . 0.0 111.102 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.5 tp -114.23 133.83 55.35 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.317 1.447 . . . . 0.0 111.174 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -133.36 156.34 47.81 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.09 1.756 . . . . 0.0 111.753 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -64.4 -36.66 84.87 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -157.05 173.0 17.68 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.404 1.481 . . . . 0.0 111.867 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -62.06 -43.6 98.48 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.921 0.888 . . . . 0.0 113.131 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.72 -34.67 78.4 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.464 -0.772 . . . . 0.0 112.241 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.04 89.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.87 0.868 . . . . 0.0 112.534 172.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.03 87.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.268 0.627 . . . . 0.0 112.128 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.6 mm -59.56 -50.61 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.993 0.917 . . . . 0.0 110.35 171.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.5 m -58.82 -38.9 79.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.924 1.289 . . . . 0.0 112.385 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -59.61 -45.02 93.17 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.177 -0.952 . . . . 0.0 111.77 173.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -78.99 -5.74 54.61 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.9 mmt -77.59 -37.14 51.08 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.843 -1.161 . . . . 0.0 109.905 166.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -85.97 -28.82 23.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.924 1.29 . . . . 0.0 113.476 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -128.48 146.72 50.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.441 1.496 . . . . 0.0 111.877 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.21 136.28 55.67 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.485 -0.76 . . . . 0.0 111.419 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 tt -78.36 -60.46 2.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.37 1.068 . . . . 0.0 110.96 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.05 -50.13 0.43 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.547 1.139 . . . . 0.0 111.317 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -116.39 -32.34 5.3 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.957 1.703 . . . . 0.0 111.799 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -154.56 175.41 13.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.925 1.29 . . . . 0.0 112.995 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.9 m -84.86 158.01 20.75 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.183 1.393 . . . . 0.0 112.048 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.38 146.57 50.94 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.644 1.177 . . . . 0.0 110.907 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -131.95 -41.29 1.03 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -153.8 143.67 15.34 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.58 142.93 41.23 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.615 2.21 . . . . 0.0 110.899 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.83 140.4 58.26 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.584 -0.697 . . . . 0.0 109.822 168.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -84.96 156.88 20.98 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.415 0.686 . . . . 0.0 112.562 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.104 1.762 . . . . 0.0 111.993 -179.338 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 78.5 p -80.92 177.39 9.08 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.761 1.224 . . . . 0.0 112.783 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 70.3 m -75.19 -5.62 45.36 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 173.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 72.09 6.91 65.61 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.901 1.238 . . . . 0.0 115.631 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 51.5 p -78.99 -17.3 55.64 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.371 1.468 . . . . 0.0 114.421 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 68.5 m -136.82 146.61 45.86 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.992 1.717 . . . . 0.0 111.543 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 157.79 175.06 28.29 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.124 1.345 . . . . 0.0 112.763 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.0 mtm -63.48 -29.13 70.45 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.688 -0.89 . . . . 0.0 112.903 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.0 -10.92 59.83 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.509 1.123 . . . . 0.0 114.023 174.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -97.38 -3.9 39.43 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.211 1.405 . . . . 0.0 113.239 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.12 154.81 40.21 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.896 1.279 . . . . 0.0 112.82 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.81 162.92 35.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.481 1.512 . . . . 0.0 112.101 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.47 148.76 97.87 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 124.124 0.969 . . . . 0.0 112.278 176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -63.5 -25.36 70.23 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 122.612 2.208 . . . . 0.0 112.985 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 -90.58 -9.26 47.75 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.664 1.586 . . . . 0.0 114.933 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -89.47 117.62 28.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.513 1.506 . . . . 0.0 112.563 -175.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -105.18 0.59 27.47 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.811 1.645 . . . . 0.0 113.978 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.25 -132.87 33.33 Favored Glycine 0 CA--C 1.537 1.417 0 CA-C-O 118.286 -1.285 . . . . 0.0 113.542 175.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -76.78 44.68 1.48 Allowed 'Trans proline' 0 CA--C 1.547 1.134 0 C-N-CA 124.757 3.638 . . . . 0.0 113.966 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.45 143.44 44.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.877 1.271 . . . . 0.0 110.616 173.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.6 m -96.19 162.27 13.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.747 1.219 . . . . 0.0 111.792 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -50.2 -52.97 31.25 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.816 0.846 . . . . 0.0 112.776 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 m -58.61 -34.54 71.24 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -175.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -74.07 -41.97 60.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.424 1.09 . . . . 0.0 112.451 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.61 98.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.591 0.756 . . . . 0.0 111.775 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.91 -44.4 80.82 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.897 1.279 . . . . 0.0 111.884 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -63.78 -28.8 70.12 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.108 0.867 . . . . 0.0 113.12 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 m -76.09 -53.68 7.96 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.34 0.656 . . . . 0.0 111.639 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 mp -74.06 -23.49 59.38 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 tp -70.7 -26.96 63.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.338 0.972 . . . . 0.0 112.408 172.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -86.85 -26.72 23.88 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.811 1.244 . . . . 0.0 112.953 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mmm -77.7 160.74 73.9 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.158 1.383 . . . . 0.0 112.767 174.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -70.97 164.43 35.76 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.154 2.569 . . . . 0.0 112.289 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.41 141.1 48.5 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.197 1.399 . . . . 0.0 112.64 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.85 2.88 86.16 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.159 1.361 . . . . 0.0 115.22 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -77.15 130.14 36.92 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.355 1.078 . . . . 0.0 109.974 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -135.04 161.77 34.37 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.58 160.63 42.43 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.295 1.438 . . . . 0.0 111.006 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.6 t -123.31 137.37 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.752 1.221 . . . . 0.0 109.796 171.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.0 ptt85 -136.88 160.39 39.03 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.94 1.296 . . . . 0.0 112.031 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.14 134.71 56.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.254 1.021 . . . . 0.0 110.556 169.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.0 t -77.43 132.41 38.46 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -169.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.3 m -59.16 121.86 12.37 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.47 1.508 . . . . 0.0 111.175 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m 53.84 22.34 3.22 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -133.44 81.31 55.27 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 125.302 1.441 . . . . 0.0 110.961 -175.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -58.66 133.54 54.9 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.303 2.668 . . . . 0.0 113.56 -174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.05 -1.56 63.28 Favored Glycine 0 CA--C 1.54 1.636 0 C-N-CA 124.671 1.129 . . . . 0.0 115.59 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -101.99 163.18 12.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.861 1.33 . . . . 0.0 111.449 174.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -126.77 169.92 12.7 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.175 1.39 . . . . 0.0 112.117 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.3 t -137.19 129.56 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.67 1.188 . . . . 0.0 109.885 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.3 tp -90.36 125.09 35.42 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 125.609 1.563 . . . . 0.0 107.676 169.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 m -115.17 139.03 50.27 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.563 0.745 . . . . 0.0 109.818 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 t -142.86 137.72 29.77 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.785 0.834 . . . . 0.0 111.826 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -76.52 109.27 10.12 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 124.035 0.934 . . . . 0.0 109.084 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -143.34 144.32 32.04 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.9 t30 54.43 39.57 31.11 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.101 1.76 . . . . 0.0 113.687 171.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.22 8.81 75.7 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.525 1.059 . . . . 0.0 115.255 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -135.13 -172.1 2.97 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.855 2.062 . . . . 0.0 111.203 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.9 t -116.28 138.15 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.562 1.145 . . . . 0.0 109.452 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.5 p -123.34 153.49 40.23 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.629 1.572 . . . . 0.0 110.88 -173.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -138.35 139.93 39.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.74 1.216 . . . . 0.0 111.647 -173.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -141.6 124.21 15.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.412 1.485 . . . . 0.0 110.751 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -78.24 135.68 37.63 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.266 -0.897 . . . . 0.0 112.17 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.6 mt -112.76 95.15 5.26 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.589 2.356 . . . . 0.0 107.502 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.1 m -91.14 144.05 26.04 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.396 1.079 . . . . 0.0 112.102 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.65 124.16 28.3 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.794 -0.566 . . . . 0.0 111.243 173.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -136.49 109.51 7.69 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.652 1.581 . . . . 0.0 109.441 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 52.96 30.3 9.14 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.02 1.328 . . . . 0.0 113.796 -171.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.91 -0.03 87.64 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.796 1.665 . . . . 0.0 115.267 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -101.07 167.1 10.45 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.321 1.848 . . . . 0.0 111.258 175.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.3 mm -97.0 108.4 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.165 1.386 . . . . 0.0 110.977 -170.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -96.85 128.64 44.01 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.932 1.693 . . . . 0.0 110.333 175.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 tt -143.86 114.28 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.303 1.041 . . . . 0.0 110.142 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 t0 49.0 -118.09 1.03 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.099 1.359 . . . . 0.0 112.483 -170.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 42.5 p -87.1 -2.51 58.68 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.176 1.391 . . . . 0.0 113.995 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -100.4 145.66 27.94 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.454 1.502 . . . . 0.0 111.547 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.4 tp -128.88 128.54 44.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.634 1.574 . . . . 0.0 109.604 170.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -125.62 153.79 43.26 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.125 1.77 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.53 -36.05 82.66 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -156.14 171.8 19.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.614 1.565 . . . . 0.0 111.627 -174.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.03 -41.98 99.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.85 0.86 . . . . 0.0 112.976 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.4 -36.04 82.4 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.586 -0.696 . . . . 0.0 112.239 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.4 93.88 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.842 0.857 . . . . 0.0 112.58 172.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.57 76.81 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.326 0.651 . . . . 0.0 111.917 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.3 mm -56.91 -49.43 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.144 0.978 . . . . 0.0 110.58 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.6 m -60.87 -42.72 98.46 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.759 1.223 . . . . 0.0 112.116 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -59.71 -43.76 93.99 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.233 -0.917 . . . . 0.0 111.522 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -76.95 -0.01 22.73 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.6 mtt -92.47 -37.75 12.35 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.533 1.133 . . . . 0.0 110.399 166.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.93 -33.66 59.86 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.7 1.2 . . . . 0.0 112.52 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -128.64 153.5 47.22 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.284 1.834 . . . . 0.0 111.457 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.4 140.45 57.17 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.41 -0.806 . . . . 0.0 111.647 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tt -79.25 -62.11 1.8 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.68 1.192 . . . . 0.0 110.506 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.03 -63.32 0.32 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.299 1.439 . . . . 0.0 110.644 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -92.31 -34.07 14.36 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.411 1.084 . . . . 0.0 112.79 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -160.05 -175.49 5.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.001 1.72 . . . . 0.0 111.056 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.4 m -86.62 155.39 20.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.585 1.554 . . . . 0.0 112.04 170.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.98 140.73 58.32 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.654 1.182 . . . . 0.0 110.682 169.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -118.29 -46.68 2.59 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -151.61 144.49 16.96 Favored Pre-proline 0 N--CA 1.475 0.793 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -73.9 140.89 29.36 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.999 2.466 . . . . 0.0 111.54 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.16 141.04 56.55 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.548 0.739 . . . . 0.0 111.009 170.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -94.74 147.83 22.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.59 1.156 . . . . 0.0 111.699 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 . . . . . 0 C--O 1.251 1.151 0 C-N-CA 126.41 1.884 . . . . 0.0 112.713 -179.174 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 77.0 p -148.19 175.46 11.03 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.322 1.449 . . . . 0.0 112.275 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 53.3 p -75.27 -3.04 30.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.088 1.355 . . . . 0.0 114.446 173.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 72.97 -167.38 54.14 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.562 1.077 . . . . 0.0 114.158 -176.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 10.9 t -149.35 160.36 43.48 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.316 1.446 . . . . 0.0 111.731 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.5 t -149.68 159.54 44.26 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.288 1.435 . . . . 0.0 112.095 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -76.78 -175.07 40.76 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.041 1.305 . . . . 0.0 114.54 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.26 158.97 43.25 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.685 1.594 . . . . 0.0 112.437 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.17 20.48 17.35 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.353 1.461 . . . . 0.0 113.66 -174.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -83.44 32.12 0.46 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.429 1.491 . . . . 0.0 114.232 -169.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.8 156.12 28.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.872 1.269 . . . . 0.0 112.555 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.97 -178.91 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.56 1.944 . . . . 0.0 114.893 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.41 148.63 95.54 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.148 0.979 . . . . 0.0 111.992 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -66.21 -23.42 52.45 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.998 2.465 . . . . 0.0 113.644 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -84.72 -7.16 59.32 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.335 1.454 . . . . 0.0 114.315 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -89.58 129.56 36.02 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.617 1.553 . . . . 0.0 112.284 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -122.74 9.89 9.57 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.091 1.356 . . . . 0.0 114.301 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.76 -142.47 43.72 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-O 118.66 -1.078 . . . . 0.0 113.288 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -77.64 54.89 4.97 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.429 3.42 . . . . 0.0 113.23 -176.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.88 136.7 43.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.632 1.173 . . . . 0.0 110.586 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.4 m -82.63 159.94 22.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.783 0.833 . . . . 0.0 112.051 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -50.94 -53.82 29.56 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.589 0.756 . . . . 0.0 112.388 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -58.2 -36.28 72.87 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.23 -43.8 69.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.143 0.977 . . . . 0.0 112.287 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.9 99.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.414 0.686 . . . . 0.0 112.017 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.97 -43.55 78.72 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.728 1.211 . . . . 0.0 112.358 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -65.77 -34.45 78.2 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.366 0.984 . . . . 0.0 112.107 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -67.52 -50.47 58.6 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.029 0.531 . . . . 0.0 111.794 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.68 -22.94 53.29 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -72.45 -28.15 62.75 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.301 0.955 . . . . 0.0 112.248 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -78.54 -33.09 48.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.348 1.059 . . . . 0.0 112.455 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.6 mmm -77.09 161.66 72.5 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.29 1.436 . . . . 0.0 113.103 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.46 164.16 36.43 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.207 2.605 . . . . 0.0 112.651 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -54.53 132.34 44.67 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.486 1.514 . . . . 0.0 112.266 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.41 3.32 65.01 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.413 1.482 . . . . 0.0 114.912 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.7 m -75.67 131.81 40.15 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.794 0.838 . . . . 0.0 109.736 169.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -133.93 161.84 33.67 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -148.24 160.73 42.65 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.975 1.31 . . . . 0.0 111.394 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.82 138.22 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 124.901 1.281 . . . . 0.0 109.988 171.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -138.67 155.3 48.39 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.501 1.52 . . . . 0.0 111.572 -176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.7 135.08 56.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.483 0.713 . . . . 0.0 109.808 169.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.6 t -67.43 127.96 34.63 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 122.184 0.992 . . . . 0.0 113.613 -168.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 p -75.55 -10.01 59.07 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.462 1.505 . . . . 0.0 113.214 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.2 m -91.76 -42.53 10.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.118 0.967 . . . . 0.0 112.898 174.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.0 m -145.87 116.23 4.85 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.207 1.003 . . . . 0.0 112.376 -169.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -56.78 138.26 84.72 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 122.934 2.423 . . . . 0.0 113.164 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.07 -8.85 68.52 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.826 1.203 . . . . 0.0 115.437 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -99.02 165.75 11.59 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.804 1.302 . . . . 0.0 110.906 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -122.82 167.7 13.19 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.493 1.117 . . . . 0.0 111.972 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.27 129.96 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.928 1.291 . . . . 0.0 109.825 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.7 tp -91.03 125.35 35.8 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 126.229 1.812 . . . . 0.0 108.058 169.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -115.15 138.91 50.37 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.919 0.887 . . . . 0.0 109.897 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.5 t -144.43 139.22 28.23 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.884 0.873 . . . . 0.0 112.402 -175.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 p -79.7 100.99 8.15 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.376 1.07 . . . . 0.0 110.494 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -138.56 154.16 48.72 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -177.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 56.65 30.45 17.47 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.46 1.504 . . . . 0.0 113.844 172.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.22 12.31 79.64 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.189 0.899 . . . . 0.0 114.77 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -136.13 -166.65 1.91 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.848 2.459 . . . . 0.0 110.255 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.76 138.77 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.363 1.065 . . . . 0.0 109.312 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.1 p -122.43 154.59 37.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.829 1.652 . . . . 0.0 111.115 -173.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -137.05 140.46 42.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.78 1.232 . . . . 0.0 111.726 -175.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -141.45 128.9 21.27 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.642 1.577 . . . . 0.0 110.476 -174.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -76.63 131.26 38.76 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.206 -0.934 . . . . 0.0 112.408 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 mt -103.92 89.82 3.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.246 2.218 . . . . 0.0 107.256 170.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.9 m -85.26 136.98 33.27 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.668 1.587 . . . . 0.0 111.937 -172.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.14 128.49 33.81 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.53 -0.731 . . . . 0.0 111.329 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -142.48 110.42 5.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.114 1.366 . . . . 0.0 110.141 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.62 32.56 6.95 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.254 1.422 . . . . 0.0 114.748 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.28 -2.64 88.05 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 126.033 1.778 . . . . 0.0 115.354 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.18 167.15 11.05 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.696 1.999 . . . . 0.0 111.792 173.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.7 mm -104.82 116.45 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.967 1.707 . . . . 0.0 110.307 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -98.18 139.38 34.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.582 1.553 . . . . 0.0 110.999 170.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 tt -152.59 129.36 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.979 0.912 . . . . 0.0 111.366 174.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 55.48 -75.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.69 2.396 . . . . 0.0 114.533 -172.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.7 t -140.81 -4.85 1.19 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.491 1.916 . . . . 0.0 112.957 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -96.3 157.28 15.97 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.619 1.968 . . . . 0.0 111.41 -174.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.8 tp -133.1 134.22 43.97 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.639 1.576 . . . . 0.0 110.688 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -135.14 156.37 49.11 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.017 1.727 . . . . 0.0 112.136 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.94 -36.37 83.74 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -156.7 172.83 17.91 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.379 1.472 . . . . 0.0 112.179 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.63 -43.15 99.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.134 0.974 . . . . 0.0 113.167 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.88 -35.02 79.28 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.531 -0.73 . . . . 0.0 112.401 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.87 91.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.826 0.85 . . . . 0.0 112.608 172.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.94 83.98 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.342 0.657 . . . . 0.0 112.164 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.56 -51.06 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.197 0.999 . . . . 0.0 110.484 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -60.07 -42.01 93.63 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.593 1.157 . . . . 0.0 112.172 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -58.0 -43.76 86.84 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.199 -0.938 . . . . 0.0 111.713 173.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -78.19 2.31 18.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.2 mtt -93.5 -35.65 12.83 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.25 1.02 . . . . 0.0 110.247 166.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.33 -28.8 47.37 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.348 1.059 . . . . 0.0 113.237 175.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -131.87 151.76 51.48 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.972 1.709 . . . . 0.0 111.638 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.87 140.2 56.54 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.535 -0.728 . . . . 0.0 111.669 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tt -81.27 -61.82 1.84 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.471 1.108 . . . . 0.0 110.731 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.4 -70.23 0.36 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.246 1.418 . . . . 0.0 110.322 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -90.61 -31.4 16.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.135 0.974 . . . . 0.0 113.135 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 t -158.23 -178.11 7.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.465 1.506 . . . . 0.0 111.578 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.7 m -85.84 157.06 20.31 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.592 1.557 . . . . 0.0 111.89 170.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.6 138.87 58.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.399 1.08 . . . . 0.0 110.647 169.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -114.46 -49.71 2.82 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -152.26 147.4 19.57 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -70.37 150.0 63.85 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.374 2.05 . . . . 0.0 111.175 171.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.9 tp -57.5 130.76 47.76 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.494 -0.754 . . . . 0.0 109.589 169.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -74.15 144.47 44.84 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.326 0.65 . . . . 0.0 112.033 -171.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.178 1.791 . . . . 0.0 112.248 -175.181 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 67.1 p -86.61 -8.31 57.6 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.229 1.412 . . . . 0.0 114.715 -178.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 56.2 p -72.89 163.01 28.79 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.526 1.531 . . . . 0.0 113.509 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -164.13 175.61 40.21 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.921 1.248 . . . . 0.0 113.35 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.6 m -68.42 145.25 54.28 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.512 1.125 . . . . 0.0 113.658 -174.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 78.8 p -144.67 -35.84 0.33 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.131 1.373 . . . . 0.0 113.343 174.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -79.81 8.65 48.78 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 125.286 1.422 . . . . 0.0 115.902 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -10.69 59.69 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.41 145.31 54.23 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.847 0.859 . . . . 0.0 112.063 174.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -151.34 144.85 24.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.035 1.334 . . . . 0.0 111.161 -175.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 59.88 -178.63 0.09 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 127.177 2.191 . . . . 0.0 115.381 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.86 174.08 0.07 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.333 2.253 . . . . 0.0 115.034 -171.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.67 150.27 95.38 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.205 1.002 . . . . 0.0 111.904 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -65.29 -23.01 59.75 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.097 2.532 . . . . 0.0 113.545 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -86.61 -5.93 59.0 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.655 1.582 . . . . 0.0 114.379 174.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -90.57 131.48 36.27 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.605 1.548 . . . . 0.0 112.673 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -124.19 10.75 8.74 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.384 1.474 . . . . 0.0 114.589 -175.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.1 -146.02 45.57 Favored Glycine 0 CA--C 1.539 1.558 0 O-C-N 120.682 -1.261 . . . . 0.0 113.944 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -66.99 37.32 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.207 1 C-N-CA 125.71 4.273 . . . . 0.0 117.095 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 tp -65.05 140.78 58.87 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.986 1.314 . . . . 0.0 110.961 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -93.86 170.61 9.43 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.854 0.862 . . . . 0.0 112.03 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -54.07 -53.82 47.92 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.913 0.885 . . . . 0.0 111.928 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -58.74 -37.18 75.62 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.087 0.555 . . . . 0.0 112.467 -173.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -69.57 -43.63 72.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.105 0.962 . . . . 0.0 112.239 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.71 97.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.535 0.734 . . . . 0.0 112.086 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -64.72 -45.58 85.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.14 1.376 . . . . 0.0 111.763 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.93 -34.12 77.39 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.036 0.835 . . . . 0.0 112.225 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.9 m -69.2 -49.12 59.5 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.081 0.552 . . . . 0.0 112.048 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.96 -23.35 44.63 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.9 tp -70.56 -27.1 63.88 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.482 1.037 . . . . 0.0 112.167 171.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -78.53 -33.04 48.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.504 1.121 . . . . 0.0 112.611 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.4 mmm -78.06 161.73 69.78 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.45 1.5 . . . . 0.0 113.114 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.83 163.57 38.05 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.259 2.639 . . . . 0.0 112.531 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -54.46 132.77 45.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.372 1.469 . . . . 0.0 112.08 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.31 2.24 64.01 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.088 1.328 . . . . 0.0 114.937 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.6 m -75.65 134.23 40.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.835 0.854 . . . . 0.0 109.597 169.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -137.25 162.62 33.02 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -148.26 159.53 43.89 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.074 1.35 . . . . 0.0 111.341 174.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.0 139.72 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 124.776 1.231 . . . . 0.0 109.936 170.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -139.46 154.71 47.8 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.311 1.444 . . . . 0.0 111.718 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.72 133.94 55.56 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 168.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.5 t -66.22 136.93 56.57 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 -167.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -9.13 58.36 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.559 1.544 . . . . 0.0 113.256 170.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 m -78.37 -56.14 4.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.176 0.898 . . . . 0.0 111.467 169.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.7 m -153.67 142.54 14.55 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 125.843 1.657 . . . . 0.0 111.293 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.47 146.33 79.7 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.693 2.262 . . . . 0.0 112.041 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.56 -17.51 51.9 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.67 1.129 . . . . 0.0 114.547 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -92.69 161.7 14.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.695 1.198 . . . . 0.0 108.738 166.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -126.87 165.96 18.37 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.179 -0.951 . . . . 0.0 112.681 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -137.47 130.33 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.977 1.311 . . . . 0.0 109.818 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HB2' HD11 ' A' ' 57' ' ' LEU . 43.8 tp -92.16 124.23 36.09 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 126.076 1.75 . . . . 0.0 108.142 170.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -116.18 135.78 53.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.88 0.872 . . . . 0.0 109.972 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.0 m -137.99 141.64 40.45 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.32 1.048 . . . . 0.0 112.509 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.0 p -82.61 101.98 11.14 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.093 0.957 . . . . 0.0 110.027 172.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -139.93 151.86 45.92 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 56.57 30.68 17.72 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.194 1.398 . . . . 0.0 113.84 170.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.41 12.5 80.08 Favored Glycine 0 CA--C 1.54 1.641 0 C-N-CA 124.391 0.996 . . . . 0.0 114.913 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -137.46 -167.28 2.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.722 2.409 . . . . 0.0 110.512 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.61 135.61 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.399 1.08 . . . . 0.0 109.469 170.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.0 p -121.84 158.98 27.72 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.42 1.488 . . . . 0.0 111.53 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -133.91 141.14 47.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.155 1.382 . . . . 0.0 111.307 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -138.34 126.92 23.41 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.576 1.55 . . . . 0.0 110.73 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -74.53 127.95 34.35 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.534 -0.729 . . . . 0.0 111.869 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 44' ' ' LEU . 16.3 mt -105.61 80.44 1.56 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.038 2.135 . . . . 0.0 107.231 169.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.9 m -78.71 141.43 37.91 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.102 1.361 . . . . 0.0 111.816 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.16 129.22 34.23 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.773 -0.579 . . . . 0.0 111.34 174.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -141.51 112.09 7.07 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.442 1.497 . . . . 0.0 109.754 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 52.35 31.16 9.06 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.028 1.331 . . . . 0.0 114.429 -176.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.21 2.02 90.5 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.685 1.612 . . . . 0.0 115.196 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -109.15 174.43 5.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.118 2.167 . . . . 0.0 111.117 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.4 mm -105.6 119.97 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.114 1.366 . . . . 0.0 111.19 -171.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -105.29 128.36 53.42 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.874 1.669 . . . . 0.0 109.909 171.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.3 tt -139.18 122.08 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.166 1.386 . . . . 0.0 109.508 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.4 t70 51.88 -113.97 0.78 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.32 1.048 . . . . 0.0 110.367 -167.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.3 p -93.66 -18.59 21.98 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.654 1.116 . . . . 0.0 113.904 171.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -79.41 134.95 36.57 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.37 1.468 . . . . 0.0 111.778 -170.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.9 tp -108.62 132.96 53.37 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.837 1.255 . . . . 0.0 110.48 169.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -130.25 153.81 48.23 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 126.662 1.985 . . . . 0.0 110.846 177.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -65.31 -36.25 83.48 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -156.4 172.48 18.44 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.545 1.538 . . . . 0.0 111.617 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.21 -42.4 99.27 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.735 0.814 . . . . 0.0 113.087 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.27 -35.52 81.11 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.623 -0.673 . . . . 0.0 112.196 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.28 93.36 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.71 0.804 . . . . 0.0 112.642 172.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.37 80.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.239 0.615 . . . . 0.0 112.085 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -58.27 -49.13 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.893 0.877 . . . . 0.0 110.548 173.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.7 m -60.02 -40.6 89.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.683 1.193 . . . . 0.0 112.184 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.96 -45.3 95.31 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.183 -0.948 . . . . 0.0 111.599 173.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -77.27 -4.87 47.11 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 177.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.9 mmt -80.23 -38.19 31.55 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.849 -1.157 . . . . 0.0 110.06 166.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.37 -29.06 26.55 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.894 1.278 . . . . 0.0 113.481 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -128.51 155.17 45.28 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.95 1.7 . . . . 0.0 111.715 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.25 138.99 52.1 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.086 -1.009 . . . . 0.0 111.675 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 tt -80.35 -61.13 2.07 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.799 1.24 . . . . 0.0 110.468 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -146.32 -62.72 0.31 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.322 1.449 . . . . 0.0 110.609 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -92.61 -34.92 13.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.336 1.054 . . . . 0.0 112.878 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -158.42 -176.86 6.14 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.693 1.597 . . . . 0.0 111.016 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 p -89.82 161.07 16.18 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.771 1.628 . . . . 0.0 112.228 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.87 146.26 55.16 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.837 1.255 . . . . 0.0 111.21 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -121.51 -48.53 2.17 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -153.39 146.99 18.24 Favored Pre-proline 0 CA--C 1.544 0.732 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.65 147.6 57.48 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.599 2.2 . . . . 0.0 111.082 171.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.9 tp -57.57 134.02 55.77 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.691 -0.631 . . . . 0.0 110.554 169.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -82.66 152.32 25.9 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.179 0.992 . . . . 0.0 112.007 -177.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.841 1.656 . . . . 0.0 112.571 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 59.8 p -148.38 175.72 10.87 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.283 1.433 . . . . 0.0 112.211 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.1 m -72.46 -3.6 25.29 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.724 1.21 . . . . 0.0 114.258 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 75.14 13.2 82.94 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.455 1.026 . . . . 0.0 114.542 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 80.9 p -147.69 163.99 34.93 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.584 1.954 . . . . 0.0 111.813 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 78.2 p -150.03 167.43 26.78 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.581 1.153 . . . . 0.0 112.596 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -71.48 0.65 32.74 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 124.513 1.054 . . . . 0.0 115.224 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt -76.01 -20.29 57.95 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.826 1.313 . . . . 0.0 113.268 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.25 136.21 36.99 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.252 1.021 . . . . 0.0 112.258 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.93 -0.1 2.34 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.912 1.285 . . . . 0.0 113.417 -176.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.98 -152.87 0.3 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.834 1.654 . . . . 0.0 113.298 -172.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.79 166.88 14.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.703 1.201 . . . . 0.0 113.405 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.01 147.27 45.33 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.328 1.051 . . . . 0.0 112.146 174.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -64.01 -25.86 66.35 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.199 2.6 . . . . 0.0 113.917 -169.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -78.25 -10.04 59.48 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.896 1.278 . . . . 0.0 114.296 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -92.86 128.37 38.7 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 120.563 1.529 . . . . 0.0 112.612 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -119.46 1.82 11.22 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.192 1.397 . . . . 0.0 114.581 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.78 -133.92 37.74 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.739 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -77.8 49.94 3.1 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 124.551 3.5 . . . . 0.0 113.815 -173.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 tp -73.42 152.07 40.93 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.873 1.269 . . . . 0.0 110.776 171.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.4 m -103.56 161.87 13.52 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.958 1.303 . . . . 0.0 112.039 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -54.67 -45.77 73.94 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.55 -0.718 . . . . 0.0 112.459 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 m -58.93 -38.43 78.96 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.786 0.834 . . . . 0.0 112.548 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.49 -41.11 69.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.913 0.885 . . . . 0.0 111.964 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.2 98.48 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.229 0.612 . . . . 0.0 112.134 174.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.96 -49.89 74.29 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.885 1.274 . . . . 0.0 111.735 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -65.19 -29.71 70.55 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.547 0.612 . . . . 0.0 112.511 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.3 m -74.3 -47.62 33.55 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.26 0.624 . . . . 0.0 112.506 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -81.22 -25.82 36.39 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -66.0 -24.13 66.71 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.644 1.111 . . . . 0.0 112.182 173.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -80.14 -20.56 44.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.176 1.39 . . . . 0.0 113.12 172.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.2 mmm -98.32 160.41 28.26 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 125.843 1.657 . . . . 0.0 113.088 -174.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -72.01 160.29 47.94 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.174 2.583 . . . . 0.0 112.263 174.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -57.0 134.08 55.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.202 1.401 . . . . 0.0 112.866 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.73 2.58 67.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.658 1.123 . . . . 0.0 114.951 -174.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.3 m -77.39 128.48 34.33 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.517 1.159 . . . . 0.0 109.199 168.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -135.93 162.08 33.85 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 pp -145.67 161.26 40.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.208 1.403 . . . . 0.0 111.314 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.06 139.46 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.221 1.408 . . . . 0.0 109.568 171.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 ptt85 -137.27 160.83 37.9 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.091 1.356 . . . . 0.0 111.805 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.58 133.92 53.28 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.501 1.12 . . . . 0.0 110.241 169.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 t -74.63 135.16 41.98 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -169.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -60.33 116.46 4.29 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.101 1.36 . . . . 0.0 111.134 -175.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m 53.57 25.54 4.94 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.103 1.52 . . . . 0.0 115.103 -177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -136.15 68.81 63.14 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 125.309 1.443 . . . . 0.0 109.965 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -63.07 139.68 74.38 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 123.2 2.6 . . . . 0.0 112.456 -170.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 -12.24 56.93 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 124.847 1.213 . . . . 0.0 114.666 -173.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -96.65 158.23 15.53 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.785 1.293 . . . . 0.0 110.646 169.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -122.85 171.07 9.47 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.192 0.997 . . . . 0.0 111.397 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.0 t -134.66 126.29 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.253 1.021 . . . . 0.0 109.671 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.5 tp -87.03 123.22 31.89 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.282 1.433 . . . . 0.0 107.7 169.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -115.17 136.24 53.32 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.515 0.726 . . . . 0.0 109.893 172.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.5 t -139.52 144.12 37.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.944 0.898 . . . . 0.0 112.052 -174.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.4 p -78.59 114.14 17.24 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.256 -0.903 . . . . 0.0 108.873 170.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -142.02 136.29 30.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.437 1.095 . . . . 0.0 112.4 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 t30 52.64 37.53 23.64 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.055 1.742 . . . . 0.0 114.01 173.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 8.43 74.73 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.24 0.924 . . . . 0.0 115.376 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -130.39 -170.3 2.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.328 2.251 . . . . 0.0 110.692 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -122.54 134.31 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.341 1.057 . . . . 0.0 110.245 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.7 p -113.26 159.47 19.31 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.462 1.905 . . . . 0.0 111.46 -177.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -140.92 136.92 32.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.195 1.398 . . . . 0.0 111.054 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -140.35 128.0 21.65 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.191 1.396 . . . . 0.0 111.412 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.53 134.82 48.05 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.935 0.789 . . . . 0.0 112.223 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.08 81.07 1.44 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.946 2.498 . . . . 0.0 105.829 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.6 m -77.77 139.92 39.4 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 124.958 1.303 . . . . 0.0 111.623 -172.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.5 127.94 32.87 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.106 0.563 . . . . 0.0 111.293 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -139.8 106.78 5.43 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.682 1.593 . . . . 0.0 109.55 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 51.88 31.5 8.49 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.917 1.287 . . . . 0.0 114.222 -174.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.01 -0.87 89.32 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.749 1.643 . . . . 0.0 115.33 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -103.03 172.61 6.72 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.667 1.987 . . . . 0.0 111.237 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.4 mm -107.96 118.63 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.072 1.349 . . . . 0.0 111.368 -169.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -104.99 127.92 53.06 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.023 1.729 . . . . 0.0 110.159 173.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.5 tt -139.21 127.33 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.768 1.227 . . . . 0.0 110.687 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 55.88 -83.43 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.381 1.873 . . . . 0.0 112.35 -168.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.5 p -134.37 -12.27 2.42 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.734 2.013 . . . . 0.0 113.009 171.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -81.51 136.99 35.63 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.706 1.602 . . . . 0.0 110.972 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.0 tp -106.94 133.21 51.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.717 1.207 . . . . 0.0 110.882 171.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.39 153.25 48.92 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 126.469 1.908 . . . . 0.0 111.138 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.49 -35.58 81.31 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -155.96 172.52 18.24 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.645 1.578 . . . . 0.0 111.252 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -47.85 84.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.875 0.87 . . . . 0.0 112.159 -177.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -64.12 -32.05 73.47 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.948 0.899 . . . . 0.0 112.753 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.19 86.77 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.57 -0.707 . . . . 0.0 112.578 171.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.59 81.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.123 0.569 . . . . 0.0 112.002 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.2 mm -57.88 -51.67 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-O 121.514 0.673 . . . . 0.0 109.897 171.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.0 m -59.2 -40.7 86.6 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.264 1.426 . . . . 0.0 112.265 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -60.24 -45.08 94.47 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.323 -0.861 . . . . 0.0 111.927 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -80.22 -3.84 50.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.6 mmt -80.37 -38.8 29.7 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.955 -1.091 . . . . 0.0 109.654 166.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -82.1 -29.66 31.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.867 1.267 . . . . 0.0 113.472 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -127.29 152.99 46.72 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.596 1.558 . . . . 0.0 111.803 -177.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -69.43 140.4 54.11 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.009 -1.057 . . . . 0.0 111.442 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.36 -62.89 1.55 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.903 1.281 . . . . 0.0 110.883 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.82 -48.76 0.29 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.605 1.162 . . . . 0.0 111.318 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -112.64 -33.92 5.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.653 1.581 . . . . 0.0 111.558 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -152.94 174.27 14.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.708 1.203 . . . . 0.0 112.906 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.8 p -88.53 159.13 18.07 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.755 1.622 . . . . 0.0 112.824 174.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.9 mt -67.32 143.35 56.44 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.504 1.122 . . . . 0.0 110.111 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -134.1 -38.97 0.86 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -154.58 146.56 17.17 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.58 147.55 57.86 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 122.366 2.044 . . . . 0.0 110.75 169.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.7 tp -58.71 131.89 52.23 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.525 -0.734 . . . . 0.0 109.53 168.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -75.92 140.04 41.91 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.745 -0.597 . . . . 0.0 112.12 -171.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.411 1.484 . . . . 0.0 113.569 -179.274 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 37.5 m -67.0 148.03 52.48 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.346 1.058 . . . . 0.0 113.07 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 60.4 p -82.49 -22.8 34.96 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -72.56 143.07 33.42 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.42 1.01 . . . . 0.0 113.526 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 76.4 p -105.57 -0.63 25.59 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.686 1.595 . . . . 0.0 114.516 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.6 m -64.8 150.58 47.24 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.403 1.481 . . . . 0.0 113.733 -175.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -172.73 166.99 39.78 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.081 1.324 . . . . 0.0 112.888 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.0 mtm -87.71 142.82 27.53 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.341 1.056 . . . . 0.0 112.362 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.93 152.62 32.76 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.497 1.519 . . . . 0.0 111.703 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.14 149.23 26.87 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.665 1.586 . . . . 0.0 111.26 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.79 137.89 16.45 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.177 1.391 . . . . 0.0 111.77 176.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 52.38 -169.02 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.301 1.84 . . . . 0.0 114.552 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.68 147.14 94.34 Favored Pre-proline 0 CA--C 1.549 0.915 0 O-C-N 121.089 -1.007 . . . . 0.0 110.457 169.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.59 -26.83 53.79 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.848 2.365 . . . . 0.0 113.586 -171.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -79.35 -8.25 58.94 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.357 1.463 . . . . 0.0 114.392 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -83.43 133.27 34.93 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.444 1.475 . . . . 0.0 112.012 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -123.8 7.63 8.75 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.475 1.51 . . . . 0.0 114.203 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -147.81 48.72 Favored Glycine 0 CA--C 1.539 1.555 0 O-C-N 120.964 -1.085 . . . . 0.0 113.604 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -68.64 42.58 0.28 Allowed 'Trans proline' 0 CA--C 1.548 1.192 1 C-N-CA 125.459 4.106 . . . . 0.0 116.513 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.32 140.08 58.08 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.681 1.192 . . . . 0.0 110.953 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 m -88.47 161.32 17.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.174 0.989 . . . . 0.0 112.296 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -50.49 -53.9 26.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.857 0.863 . . . . 0.0 112.629 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -58.26 -36.69 73.61 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.12 -43.45 70.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.192 0.997 . . . . 0.0 112.234 174.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.2 99.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.549 0.74 . . . . 0.0 111.946 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.44 -45.19 76.76 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.647 1.179 . . . . 0.0 112.19 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -65.61 -32.38 73.93 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.167 0.894 . . . . 0.0 112.284 176.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -69.8 -50.75 40.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.979 0.512 . . . . 0.0 111.97 175.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.21 -24.23 51.35 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -175.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.4 tp -70.6 -27.29 63.99 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.486 1.039 . . . . 0.0 112.261 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -78.19 -32.99 50.34 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.543 1.137 . . . . 0.0 112.475 172.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mmm -78.79 161.3 69.54 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.604 1.562 . . . . 0.0 113.254 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -71.18 160.87 47.7 Favored 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 123.102 2.534 . . . . 0.0 112.236 172.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -57.35 133.43 55.13 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.088 1.355 . . . . 0.0 112.192 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.56 1.94 61.88 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.192 1.377 . . . . 0.0 114.553 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.4 m -76.64 130.03 37.23 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.818 0.847 . . . . 0.0 108.99 168.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -136.39 162.5 32.85 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -176.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -147.29 158.61 44.02 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.08 1.352 . . . . 0.0 110.774 175.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -122.56 136.2 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 124.596 1.158 . . . . 0.0 109.526 171.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -134.9 154.46 51.67 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.995 1.318 . . . . 0.0 111.493 -175.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.75 133.17 51.49 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.335 0.654 . . . . 0.0 109.477 169.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.3 t -67.29 129.09 38.78 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -168.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 p -81.97 -7.22 59.6 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.613 1.565 . . . . 0.0 112.724 169.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -105.91 -29.38 10.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.912 1.285 . . . . 0.0 113.852 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 m -147.23 125.65 6.14 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.175 0.99 . . . . 0.0 112.153 -176.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -58.01 137.85 82.99 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.803 2.335 . . . . 0.0 113.407 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.77 -2.94 62.1 Favored Glycine 0 CA--C 1.54 1.656 0 N-CA-C 116.308 1.283 . . . . 0.0 116.308 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -100.33 164.99 11.68 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.117 1.459 . . . . 0.0 112.173 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -114.68 169.63 8.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.865 1.266 . . . . 0.0 111.401 173.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.63 129.97 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.85 1.26 . . . . 0.0 110.002 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.7 tp -89.43 124.99 34.98 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 125.977 1.711 . . . . 0.0 108.071 169.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -114.96 136.6 52.94 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.631 0.772 . . . . 0.0 109.749 171.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 19.3 t -139.84 142.8 36.58 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.018 0.927 . . . . 0.0 111.887 -174.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.3 p -79.99 111.63 16.51 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 122.046 0.927 . . . . 0.0 109.369 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -134.57 133.0 39.77 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.313 1.045 . . . . 0.0 112.84 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 52.42 37.35 22.42 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.526 1.53 . . . . 0.0 113.731 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.58 7.06 82.7 Favored Glycine 0 CA--C 1.54 1.595 0 N-CA-C 115.582 0.993 . . . . 0.0 115.582 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 -170.02 2.24 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.881 2.073 . . . . 0.0 110.909 174.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.03 136.49 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.986 0.914 . . . . 0.0 110.953 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -117.18 158.19 24.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.543 1.937 . . . . 0.0 111.416 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -138.66 136.96 36.41 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.014 1.326 . . . . 0.0 111.285 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -139.24 129.6 25.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.643 1.577 . . . . 0.0 111.144 -175.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -70.24 137.65 51.0 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.25 -0.906 . . . . 0.0 112.502 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.4 mt -111.64 81.12 1.4 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.474 2.31 . . . . 0.0 105.962 168.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.3 m -80.2 143.07 34.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.897 1.279 . . . . 0.0 112.131 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.17 129.48 35.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.435 0.694 . . . . 0.0 112.111 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -133.64 105.51 6.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.413 1.485 . . . . 0.0 109.785 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 51.68 31.89 8.54 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.993 1.317 . . . . 0.0 114.075 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.56 -9.13 78.2 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.983 1.754 . . . . 0.0 115.375 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -85.1 162.08 19.42 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.274 1.43 . . . . 0.0 111.495 170.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.9 mm -109.98 119.58 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.851 1.66 . . . . 0.0 110.652 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -103.22 129.23 50.11 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.306 1.842 . . . . 0.0 110.235 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.3 tt -139.49 129.77 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.301 1.04 . . . . 0.0 110.827 172.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.43 -85.46 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.411 1.884 . . . . 0.0 112.336 -168.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -131.27 -11.5 3.63 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.49 1.916 . . . . 0.0 112.867 171.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -86.85 139.58 30.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.919 2.087 . . . . 0.0 111.18 -171.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.7 tp -115.29 135.75 53.83 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.082 1.353 . . . . 0.0 111.723 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -134.25 156.99 47.43 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.362 1.865 . . . . 0.0 111.931 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.05 -34.9 79.53 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -156.85 171.94 19.52 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.194 1.397 . . . . 0.0 112.557 -172.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.07 -41.51 99.45 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.192 0.997 . . . . 0.0 113.227 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.42 -35.08 79.75 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.428 -0.795 . . . . 0.0 112.38 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.2 90.12 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.807 0.843 . . . . 0.0 112.489 171.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.7 80.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.494 0.718 . . . . 0.0 112.738 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.81 -51.39 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.32 1.048 . . . . 0.0 110.189 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.2 m -57.44 -37.5 72.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.855 1.262 . . . . 0.0 112.964 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.58 -44.77 73.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.867 0.867 . . . . 0.0 112.304 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -87.38 1.39 53.49 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.9 mmt -83.63 -34.6 25.03 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.032 -1.042 . . . . 0.0 109.916 166.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.86 -33.46 62.1 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.925 1.29 . . . . 0.0 112.862 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -145.22 168.58 20.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.875 1.27 . . . . 0.0 112.607 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -63.64 146.19 54.26 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.178 0.991 . . . . 0.0 112.516 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 tt -84.36 -61.39 1.82 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.712 1.605 . . . . 0.0 110.672 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -141.31 -50.97 0.43 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.733 1.213 . . . . 0.0 111.112 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.21 -36.38 5.61 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.834 1.653 . . . . 0.0 111.449 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -150.58 169.96 20.29 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.692 1.197 . . . . 0.0 112.702 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.3 p -87.92 164.84 15.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.212 1.405 . . . . 0.0 112.549 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.5 mt -71.62 136.37 47.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.479 0.712 . . . . 0.0 109.359 169.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -125.76 -42.5 1.91 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.963 0.905 . . . . 0.0 112.988 -176.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -153.48 145.19 16.68 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 123.608 0.763 . . . . 0.0 113.009 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -69.71 152.2 69.5 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.439 2.092 . . . . 0.0 110.735 169.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.6 tp -69.34 150.32 47.45 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.814 0.846 . . . . 0.0 111.346 169.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -88.89 145.44 25.55 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.326 1.45 . . . . 0.0 111.437 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.352 1.461 . . . . 0.0 112.212 178.321 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 58.4 p -69.18 -21.96 63.94 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.157 0.983 . . . . 0.0 113.134 171.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 9.3 t -135.82 170.74 15.51 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.001 2.12 . . . . 0.0 110.518 169.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 179.12 -172.11 44.19 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.157 1.361 . . . . 0.0 113.534 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.0 m 58.08 28.99 17.16 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.7 m -133.94 152.63 51.92 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.962 1.705 . . . . 0.0 111.915 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 179.42 -172.7 44.65 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.887 1.232 . . . . 0.0 113.117 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 mmt -73.02 146.59 45.81 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.908 0.883 . . . . 0.0 112.194 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.18 159.49 14.88 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.039 1.336 . . . . 0.0 113.135 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -129.6 9.13 5.46 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.369 1.468 . . . . 0.0 114.134 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.31 167.75 19.87 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.203 1.401 . . . . 0.0 113.661 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 163.06 17.73 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.564 1.146 . . . . 0.0 112.694 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.75 143.02 22.81 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.15 1.38 . . . . 0.0 112.727 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -60.08 -29.84 90.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.904 3.07 . . . . 0.0 114.797 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -71.65 -12.64 61.44 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -83.36 121.64 27.42 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.472 1.487 . . . . 0.0 111.7 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -114.36 0.81 14.23 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.262 1.425 . . . . 0.0 113.693 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.48 -129.59 42.7 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-O 118.378 -1.234 . . . . 0.0 113.359 174.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -77.14 49.74 2.91 Favored 'Trans proline' 0 CA--C 1.548 1.192 0 C-N-CA 124.475 3.45 . . . . 0.0 113.752 -173.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 tp -74.84 148.28 40.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.966 1.306 . . . . 0.0 109.817 172.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 p -84.7 163.11 19.4 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.195 -0.941 . . . . 0.0 112.038 170.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -61.3 -41.22 96.62 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.481 -0.762 . . . . 0.0 111.18 170.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.6 m -61.09 -42.25 98.15 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.528 1.131 . . . . 0.0 112.12 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -69.12 -38.6 78.96 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.558 -0.714 . . . . 0.0 112.105 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.56 98.51 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.151 0.58 . . . . 0.0 111.934 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.47 -46.91 86.35 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.657 0.783 . . . . 0.0 112.137 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.64 -31.14 72.0 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.677 -0.639 . . . . 0.0 112.54 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -71.36 -46.72 59.77 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.354 0.662 . . . . 0.0 112.068 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.91 -26.82 33.77 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -174.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.83 -24.64 67.87 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.289 0.949 . . . . 0.0 112.381 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -88.15 -11.69 46.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.512 1.525 . . . . 0.0 113.864 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.1 mmm -101.71 160.98 24.93 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.604 1.562 . . . . 0.0 113.593 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -65.71 164.97 24.69 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.597 2.864 . . . . 0.0 112.794 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.55 139.89 58.81 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.576 1.15 . . . . 0.0 112.671 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.459 ' HA3' ' HE2' ' A' ' 92' ' ' LYS . . . 78.23 14.25 82.43 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.923 1.725 . . . . 0.0 114.979 -173.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.4 m -75.18 130.53 39.33 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.62 1.21 . . . . 0.0 109.405 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -134.81 159.31 41.78 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -175.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.93 157.96 43.88 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.531 1.533 . . . . 0.0 111.077 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.14 138.24 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.182 1.393 . . . . 0.0 109.751 172.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -147.19 164.89 31.71 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.145 1.378 . . . . 0.0 111.968 -170.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.44 139.08 58.27 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.13 1.372 . . . . 0.0 111.916 173.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -76.72 147.56 37.3 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.0 p -72.6 148.88 44.46 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.114 0.965 . . . . 0.0 110.646 168.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m 60.29 -19.52 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 174.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.9 m -133.32 102.18 13.07 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.183 1.393 . . . . 0.0 111.652 -174.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -58.94 149.54 78.33 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.528 2.819 . . . . 0.0 113.311 175.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.54 -15.76 17.41 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.855 1.216 . . . . 0.0 115.42 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -85.15 160.54 19.91 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.831 1.315 . . . . 0.0 111.367 169.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -124.4 169.67 11.6 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.05 1.34 . . . . 0.0 111.744 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.2 t -134.48 128.4 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.534 1.534 . . . . 0.0 109.445 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HB2' HD11 ' A' ' 57' ' ' LEU . 45.2 tp -91.47 129.49 37.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 125.935 1.694 . . . . 0.0 107.497 169.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -120.07 138.85 53.3 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.761 172.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.9 p -143.2 146.41 33.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.5 p -80.6 102.97 10.13 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 124.906 1.282 . . . . 0.0 109.544 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -141.01 149.01 41.19 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.5 t30 51.9 38.88 24.69 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.253 1.821 . . . . 0.0 113.377 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.26 9.67 72.89 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.575 1.083 . . . . 0.0 115.602 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -133.53 -173.1 3.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.907 2.083 . . . . 0.0 111.203 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.06 138.96 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.587 1.155 . . . . 0.0 109.367 169.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.5 p -129.21 156.46 43.92 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.359 1.464 . . . . 0.0 111.158 -173.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -134.8 144.88 47.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.914 1.286 . . . . 0.0 111.975 -175.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -142.57 133.62 25.85 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.895 1.678 . . . . 0.0 110.778 -175.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -75.19 129.89 38.25 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.246 -0.909 . . . . 0.0 112.145 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 44' ' ' LEU . 19.0 mt -108.89 78.09 1.12 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.549 1.94 . . . . 0.0 106.798 168.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.4 m -77.17 142.34 39.7 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.814 1.245 . . . . 0.0 111.877 -173.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.58 128.73 34.59 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.237 0.615 . . . . 0.0 111.359 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -140.87 110.09 6.22 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.465 1.506 . . . . 0.0 109.796 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 51.89 31.36 8.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.047 1.339 . . . . 0.0 114.264 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.21 1.21 90.47 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.669 1.604 . . . . 0.0 115.292 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -107.82 173.79 6.17 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.871 2.068 . . . . 0.0 111.19 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.8 mm -105.83 120.49 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.099 1.36 . . . . 0.0 111.323 -170.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -106.91 128.02 53.95 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.919 1.688 . . . . 0.0 110.003 172.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.4 tt -139.33 126.53 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.865 1.266 . . . . 0.0 110.405 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.7 t70 54.6 -91.28 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.884 1.674 . . . . 0.0 111.913 -167.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.5 p -123.0 -12.71 7.94 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.467 1.507 . . . . 0.0 113.399 169.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -81.56 136.44 35.58 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.665 1.586 . . . . 0.0 111.204 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.1 tp -106.77 133.91 50.71 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.754 1.222 . . . . 0.0 110.832 171.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -131.89 154.04 49.62 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.61 1.964 . . . . 0.0 111.022 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.57 -36.09 82.76 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -155.9 171.91 19.27 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.392 1.477 . . . . 0.0 111.795 -173.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 mt -62.21 -42.97 99.79 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.89 0.876 . . . . 0.0 113.0 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -63.42 -36.51 83.97 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.608 -0.683 . . . . 0.0 112.252 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.59 93.89 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.785 0.834 . . . . 0.0 112.635 172.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.61 82.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.284 0.634 . . . . 0.0 112.082 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.37 -49.32 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.014 0.926 . . . . 0.0 110.498 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.5 m -60.98 -41.88 97.29 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.691 1.196 . . . . 0.0 112.189 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -58.84 -44.08 90.86 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.301 -0.875 . . . . 0.0 111.44 174.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -78.12 5.02 10.98 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 175.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.5 mtt -96.31 -38.54 10.04 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.538 1.135 . . . . 0.0 109.977 166.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.83 -28.8 60.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.476 1.11 . . . . 0.0 113.041 175.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -130.09 160.07 34.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.456 1.903 . . . . 0.0 111.424 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.14 144.19 44.97 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.014 -1.054 . . . . 0.0 111.709 175.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tt -83.24 -62.64 1.54 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.519 1.128 . . . . 0.0 110.481 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -143.37 -65.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.128 1.371 . . . . 0.0 110.644 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -91.57 -33.81 14.99 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.393 1.077 . . . . 0.0 112.745 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.2 t -159.16 -174.24 4.62 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.524 1.929 . . . . 0.0 110.045 174.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -85.64 164.84 17.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.637 1.575 . . . . 0.0 112.497 169.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 71.1 mt -69.02 131.56 45.24 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.109 1.364 . . . . 0.0 109.41 169.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HE2' ' HA3' ' A' ' 28' ' ' GLY . 36.0 mtmm -121.66 -34.06 3.48 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -171.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -153.38 144.11 15.89 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-N 119.484 1.038 . . . . 0.0 113.015 170.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.46 148.57 43.07 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.306 2.004 . . . . 0.0 111.376 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.94 144.66 57.14 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.33 0.652 . . . . 0.0 110.7 169.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -87.87 147.44 25.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.225 1.01 . . . . 0.0 112.105 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 125.149 1.38 . . . . 0.0 112.033 173.918 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.664 -0.574 . . . . 0.0 111.664 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 35.9 m -61.85 144.23 55.18 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.415 1.086 . . . . 0.0 112.699 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.1 m 54.3 32.32 16.04 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.321 1.448 . . . . 0.0 114.499 -178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -72.39 -6.0 64.53 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 124.928 1.251 . . . . 0.0 115.884 -176.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 78.1 p -143.73 168.29 20.26 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.632 1.573 . . . . 0.0 112.189 177.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.0 m -79.99 16.07 1.3 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.213 1.405 . . . . 0.0 114.308 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 78.04 21.36 71.06 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.151 -0.968 . . . . 0.0 114.625 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -64.74 141.0 58.92 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.835 1.254 . . . . 0.0 111.91 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.6 153.44 44.79 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.303 1.441 . . . . 0.0 111.647 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.04 39.19 0.75 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.359 1.464 . . . . 0.0 112.796 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.72 170.08 17.23 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.547 1.539 . . . . 0.0 113.603 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.91 172.62 4.25 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.663 1.185 . . . . 0.0 112.634 171.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 148.02 8.17 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.591 1.157 . . . . 0.0 113.407 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.85 -21.22 57.94 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.92 2.413 . . . . 0.0 113.353 -175.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -96.03 -5.18 41.64 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.364 1.866 . . . . 0.0 114.609 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -90.79 131.35 36.51 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.324 1.42 . . . . 0.0 112.487 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -118.54 -1.41 11.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.639 1.576 . . . . 0.0 114.32 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.01 -146.18 47.67 Favored Glycine 0 CA--C 1.54 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 113.234 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -68.69 52.21 0.67 Allowed 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 125.29 3.993 . . . . 0.0 116.072 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 tp -70.98 149.6 46.49 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.962 -1.086 . . . . 0.0 110.173 172.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.7 m -89.89 156.14 18.66 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.691 0.796 . . . . 0.0 111.439 171.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -52.65 -48.51 66.38 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.714 -0.616 . . . . 0.0 112.411 174.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.6 m -56.34 -37.75 70.42 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.591 0.757 . . . . 0.0 112.528 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.5 -38.33 65.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.087 0.955 . . . . 0.0 112.622 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.21 96.76 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.385 0.674 . . . . 0.0 111.817 172.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.92 -46.99 76.23 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.54 1.136 . . . . 0.0 111.986 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -69.67 -12.71 61.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -85.52 -54.72 4.39 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.138 0.881 . . . . 0.0 111.369 169.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.94 -26.14 61.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -174.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.26 -24.82 67.42 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.459 1.027 . . . . 0.0 112.598 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -90.77 -13.45 33.93 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.222 1.409 . . . . 0.0 113.747 173.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 94.5 mmm -92.39 159.73 36.38 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.241 1.416 . . . . 0.0 112.535 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.47 161.55 45.62 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 122.988 2.459 . . . . 0.0 111.887 173.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -56.63 138.27 52.67 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.565 1.146 . . . . 0.0 112.555 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.84 3.89 79.67 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.67 1.129 . . . . 0.0 114.981 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.5 m -74.8 129.52 37.83 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.42 1.11 . . . . 0.0 108.83 168.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -136.55 161.17 36.63 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.64 155.69 42.64 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.996 1.318 . . . . 0.0 111.109 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.01 138.56 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.624 1.17 . . . . 0.0 109.933 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -142.63 157.44 44.68 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.433 1.493 . . . . 0.0 111.423 -172.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.43 135.99 53.99 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.048 0.939 . . . . 0.0 110.632 172.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.4 t -73.45 131.06 41.38 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -85.59 -8.19 58.41 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.633 1.573 . . . . 0.0 112.721 169.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 m -99.35 -31.93 11.43 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.804 1.241 . . . . 0.0 113.549 -176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.5 m -146.68 138.83 13.71 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 124.515 1.126 . . . . 0.0 112.19 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.61 138.33 34.89 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.964 2.443 . . . . 0.0 112.427 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.6 2.71 64.75 Favored Glycine 0 CA--C 1.539 1.577 0 N-CA-C 115.889 1.116 . . . . 0.0 115.889 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -103.54 168.31 9.24 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.402 1.481 . . . . 0.0 111.925 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -120.68 169.71 10.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.271 1.429 . . . . 0.0 111.556 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.7 t -135.74 129.55 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.84 1.256 . . . . 0.0 109.884 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.53 122.62 33.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.977 1.711 . . . . 0.0 107.844 169.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -115.39 135.16 54.42 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.614 0.766 . . . . 0.0 110.114 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 70.9 m -136.59 143.07 43.39 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.316 1.046 . . . . 0.0 112.079 -172.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.1 p -80.65 114.43 19.54 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 168.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -142.91 140.83 31.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.305 1.042 . . . . 0.0 111.851 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 56.74 31.13 18.85 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.147 1.379 . . . . 0.0 113.994 170.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.01 10.63 81.12 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 124.385 0.993 . . . . 0.0 114.879 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -133.71 -169.49 2.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 127.907 2.483 . . . . 0.0 110.441 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.16 134.48 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.257 1.023 . . . . 0.0 110.325 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -116.57 157.03 25.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.65 1.98 . . . . 0.0 111.218 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -138.96 137.27 36.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.996 1.318 . . . . 0.0 111.231 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -139.09 130.67 27.27 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.254 1.422 . . . . 0.0 111.38 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -77.05 126.31 30.76 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.408 -0.807 . . . . 0.0 111.811 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.3 mt -100.27 90.66 4.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.245 1.818 . . . . 0.0 107.216 169.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 m -87.93 144.99 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 125.362 1.465 . . . . 0.0 112.048 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.26 120.53 33.65 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.423 -0.798 . . . . 0.0 111.479 173.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -137.16 135.39 37.3 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.965 1.306 . . . . 0.0 110.53 170.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 50.59 30.05 4.54 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.549 1.54 . . . . 0.0 114.832 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.03 9.54 86.71 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.314 1.435 . . . . 0.0 115.202 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -122.06 163.88 18.66 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.668 1.987 . . . . 0.0 111.944 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.9 mm -91.69 118.1 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.012 1.325 . . . . 0.0 110.854 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -101.69 147.47 26.41 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.952 1.701 . . . . 0.0 110.748 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -148.86 117.43 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.148 0.979 . . . . 0.0 109.191 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.43 -101.29 0.11 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.784 1.633 . . . . 0.0 112.801 -168.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.4 p -111.48 -0.19 16.3 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.792 1.637 . . . . 0.0 113.635 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -91.73 149.9 21.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.633 1.573 . . . . 0.0 110.809 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.4 tp -134.09 135.41 43.22 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.368 1.467 . . . . 0.0 110.901 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -139.03 155.87 47.63 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.828 2.051 . . . . 0.0 111.25 -175.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.27 -36.01 81.88 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -156.29 172.22 18.85 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.441 1.496 . . . . 0.0 111.779 -173.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.95 -42.1 98.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.64 0.776 . . . . 0.0 112.895 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.88 -35.58 81.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.613 -0.68 . . . . 0.0 112.234 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.21 90.03 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.664 0.785 . . . . 0.0 112.661 172.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.71 88.01 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.232 0.613 . . . . 0.0 112.385 175.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.7 mm -60.63 -50.26 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.06 0.944 . . . . 0.0 110.447 171.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.9 m -58.82 -38.65 79.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.816 1.246 . . . . 0.0 112.367 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -58.82 -45.07 90.81 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.197 -0.94 . . . . 0.0 111.986 173.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -79.14 -3.72 46.92 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.2 mmt -80.15 -37.62 33.06 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.865 -1.147 . . . . 0.0 109.698 166.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -83.37 -29.65 28.04 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.853 1.261 . . . . 0.0 113.416 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -126.81 152.14 47.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.616 1.566 . . . . 0.0 111.94 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.88 139.56 55.16 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.05 -1.031 . . . . 0.0 111.64 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.37 -63.08 1.5 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.417 1.087 . . . . 0.0 110.695 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -144.06 -50.82 0.3 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.575 1.15 . . . . 0.0 111.515 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -110.28 -32.1 7.08 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.282 1.433 . . . . 0.0 111.674 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 t -153.03 169.7 22.27 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.942 1.297 . . . . 0.0 112.5 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 56.0 p -82.89 160.62 22.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.88 1.272 . . . . 0.0 111.662 169.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.85 142.52 58.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.177 0.991 . . . . 0.0 110.901 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -122.33 -45.06 2.23 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.466 1.107 . . . . 0.0 112.814 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -155.51 146.97 16.83 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.4 145.26 37.85 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.887 2.392 . . . . 0.0 111.597 171.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.0 tp -68.99 140.39 55.02 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.429 -0.795 . . . . 0.0 109.727 168.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -72.06 140.07 48.79 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.43 -0.794 . . . . 0.0 112.983 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.5 1.92 . . . . 0.0 111.382 170.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.895 -0.482 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 8.7 t -147.84 157.29 43.46 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.208 1.403 . . . . 0.0 111.657 177.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 58.9 m -140.33 152.93 46.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.616 1.567 . . . . 0.0 112.557 -172.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 75.19 14.02 82.24 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 115.77 1.068 . . . . 0.0 115.77 173.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 15.4 m -60.03 -24.53 64.58 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 65.1 p -92.79 -2.76 55.68 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.946 1.698 . . . . 0.0 114.455 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -57.73 120.98 24.1 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.481 1.039 . . . . 0.0 113.201 -174.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.272 28.1 ptm 47.28 24.8 0.48 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.494 2.318 . . . . 0.0 116.124 -175.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.48 148.01 41.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.018 0.927 . . . . 0.0 112.878 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 53.74 34.92 20.08 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.89 1.676 . . . . 0.0 114.609 175.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.57 142.04 51.78 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.041 -1.037 . . . . 0.0 113.029 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.42 163.22 40.32 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.108 1.763 . . . . 0.0 111.049 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.02 143.28 24.3 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 124.27 1.028 . . . . 0.0 111.959 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -63.29 -27.84 72.1 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.365 2.71 . . . . 0.0 114.428 -168.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -80.52 -8.32 59.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.425 1.49 . . . . 0.0 114.386 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -85.14 132.47 34.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.151 1.342 . . . . 0.0 112.314 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -122.05 0.84 9.73 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.622 1.569 . . . . 0.0 113.851 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.66 -136.17 41.59 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-O 118.591 -1.116 . . . . 0.0 113.242 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.57 57.57 6.03 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 124.312 3.341 . . . . 0.0 113.061 -176.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.64 148.15 38.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.276 1.031 . . . . 0.0 109.873 171.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.8 m -90.54 156.51 18.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.748 0.819 . . . . 0.0 111.335 171.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -52.54 -50.12 63.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.205 0.602 . . . . 0.0 112.587 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 m -57.67 -36.21 71.6 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -71.16 -42.62 68.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.049 0.94 . . . . 0.0 112.326 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.97 98.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.551 0.74 . . . . 0.0 111.889 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -67.99 -43.83 78.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.846 1.258 . . . . 0.0 112.234 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -65.57 -35.11 79.87 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.327 0.967 . . . . 0.0 112.116 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -67.35 -51.44 52.25 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.07 0.548 . . . . 0.0 111.792 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.57 -22.76 56.7 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.89 -28.41 62.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.383 0.992 . . . . 0.0 112.368 171.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -78.84 -33.03 46.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.285 1.034 . . . . 0.0 112.526 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.8 mmm -76.82 161.29 74.38 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.215 1.406 . . . . 0.0 113.152 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.02 163.72 37.9 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.296 2.664 . . . . 0.0 112.594 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -54.89 132.32 46.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.303 1.441 . . . . 0.0 112.122 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.76 2.11 63.17 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.134 1.35 . . . . 0.0 115.007 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -74.89 133.59 41.79 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.717 0.807 . . . . 0.0 109.55 169.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -136.47 161.32 36.18 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.48 157.75 43.8 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.873 1.269 . . . . 0.0 111.497 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.38 137.98 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.857 1.263 . . . . 0.0 110.069 169.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -142.83 160.51 40.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.56 1.544 . . . . 0.0 111.534 -173.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.87 137.17 58.19 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.32 1.048 . . . . 0.0 111.087 170.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t -76.02 136.77 39.96 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -57.57 117.5 4.24 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.477 1.511 . . . . 0.0 111.547 -174.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.6 m 53.55 20.62 2.17 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.679 1.592 . . . . 0.0 115.131 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.9 m -133.77 71.1 75.02 Favored Pre-proline 0 N--CA 1.473 0.716 0 C-N-CA 125.537 1.535 . . . . 0.0 110.88 -171.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -60.95 141.39 94.41 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.161 2.574 . . . . 0.0 112.441 -174.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.34 -14.53 49.97 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.985 1.279 . . . . 0.0 114.96 -175.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -98.15 159.87 14.66 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.95 1.375 . . . . 0.0 111.29 169.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -124.36 170.04 11.22 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.87 1.268 . . . . 0.0 111.668 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.6 t -136.15 129.84 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.044 1.338 . . . . 0.0 109.617 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 tp -91.76 123.32 35.07 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.805 1.642 . . . . 0.0 107.86 169.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -115.05 137.46 51.99 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.442 0.697 . . . . 0.0 110.086 175.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.8 m -139.12 138.95 37.48 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.426 1.09 . . . . 0.0 112.207 -173.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 p -80.46 100.5 8.55 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 122.059 0.933 . . . . 0.0 110.214 173.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -139.31 153.49 47.75 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 56.59 29.94 16.47 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.295 1.438 . . . . 0.0 113.931 172.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 12.72 79.78 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.359 0.98 . . . . 0.0 114.816 -177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -136.8 -166.77 1.96 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 127.683 2.393 . . . . 0.0 110.289 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.91 138.47 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.299 1.039 . . . . 0.0 109.325 169.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.6 p -122.26 154.62 37.3 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.913 1.685 . . . . 0.0 110.854 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -137.45 139.49 40.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.85 1.26 . . . . 0.0 111.511 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -139.66 127.86 22.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.432 1.493 . . . . 0.0 110.844 -174.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -67.39 132.47 47.74 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.437 -0.789 . . . . 0.0 112.34 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.76 76.88 1.0 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.722 2.009 . . . . 0.0 106.315 167.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.8 m -77.56 141.95 39.27 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.577 1.151 . . . . 0.0 111.7 -173.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.15 129.54 34.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.143 0.577 . . . . 0.0 111.357 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -140.76 108.69 5.7 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.807 1.643 . . . . 0.0 109.658 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 53.23 30.52 10.09 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.905 1.282 . . . . 0.0 113.889 -175.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.58 0.15 89.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.879 1.704 . . . . 0.0 115.32 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -104.16 173.32 6.35 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.851 2.06 . . . . 0.0 111.206 174.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.1 mm -105.79 120.33 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.078 1.351 . . . . 0.0 111.424 -170.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -106.67 126.52 52.38 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.987 1.715 . . . . 0.0 110.054 172.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 tt -139.65 128.38 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.934 1.294 . . . . 0.0 111.021 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 56.14 -84.25 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.253 1.821 . . . . 0.0 112.247 -168.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -134.25 -11.78 2.49 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.776 2.031 . . . . 0.0 112.907 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -81.98 138.28 34.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.99 1.716 . . . . 0.0 111.215 -176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.5 tp -107.89 133.49 52.16 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.906 1.282 . . . . 0.0 110.747 171.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -131.99 154.04 49.74 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.458 1.903 . . . . 0.0 111.192 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.37 -35.73 81.84 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -155.89 171.69 19.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.3 1.44 . . . . 0.0 111.802 -173.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.2 -42.95 99.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.05 0.94 . . . . 0.0 112.93 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.53 -35.99 82.29 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.536 -0.728 . . . . 0.0 112.344 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.19 93.12 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.696 0.798 . . . . 0.0 112.643 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.18 82.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.24 0.616 . . . . 0.0 112.287 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.8 mm -58.75 -49.63 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.156 0.982 . . . . 0.0 110.43 173.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.2 m -60.18 -42.23 94.57 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.518 1.127 . . . . 0.0 112.175 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.22 -43.86 92.32 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.256 -0.903 . . . . 0.0 111.608 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -78.17 3.44 15.18 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.7 mtt -94.95 -37.32 11.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.412 1.085 . . . . 0.0 110.139 166.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -76.41 -28.88 56.84 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.64 1.176 . . . . 0.0 113.024 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -131.07 159.28 38.03 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.344 1.858 . . . . 0.0 111.591 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.55 143.43 46.48 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.039 -1.038 . . . . 0.0 111.757 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 tt -83.67 -62.22 1.63 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.752 1.221 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.56 -70.54 0.36 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.223 1.409 . . . . 0.0 110.284 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -89.87 -32.13 17.02 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.224 1.01 . . . . 0.0 113.003 178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 t -157.5 -177.7 6.79 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.417 1.487 . . . . 0.0 111.553 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 p -90.56 160.68 15.82 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.833 1.653 . . . . 0.0 112.307 169.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.2 mt -65.92 136.66 56.41 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.006 1.322 . . . . 0.0 111.012 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -112.01 -49.72 2.96 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -152.34 146.04 18.04 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -173.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -72.88 142.45 35.15 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.73 2.287 . . . . 0.0 111.335 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.84 139.74 57.12 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.57 -0.706 . . . . 0.0 110.172 169.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -84.19 150.43 25.49 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.874 0.87 . . . . 0.0 111.8 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.81 1.644 . . . . 0.0 112.964 -175.089 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 34.9 m -67.92 151.84 46.49 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.551 1.141 . . . . 0.0 113.166 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 16.6 m -78.89 -12.61 60.04 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -67.95 149.29 50.17 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.419 1.009 . . . . 0.0 113.954 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 12.0 t -152.05 159.21 43.75 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.284 1.434 . . . . 0.0 111.763 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.2 t 58.2 -173.31 0.09 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.374 1.87 . . . . 0.0 114.404 -176.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 140.25 -12.83 3.04 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.787 1.661 . . . . 0.0 115.307 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt -97.63 137.44 36.55 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.745 1.218 . . . . 0.0 112.284 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.45 65.85 8.07 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.085 1.354 . . . . 0.0 111.341 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.53 -13.15 60.64 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -170.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.33 146.38 26.71 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.328 1.451 . . . . 0.0 112.458 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.13 167.1 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.813 2.445 . . . . 0.0 116.522 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.14 150.87 44.12 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 125.033 1.333 . . . . 0.0 110.961 171.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.42 -26.68 34.49 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.053 2.502 . . . . 0.0 114.044 -171.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -80.5 -3.96 52.03 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.505 1.522 . . . . 0.0 114.541 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -84.23 135.81 34.2 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.906 1.23 . . . . 0.0 112.435 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -124.21 7.33 8.48 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.512 1.525 . . . . 0.0 114.424 -178.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.97 -149.21 50.08 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 113.115 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -77.4 57.7 6.01 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.353 3.368 . . . . 0.0 112.816 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.94 138.08 45.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.684 1.193 . . . . 0.0 110.794 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.1 m -80.95 158.03 25.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.75 0.82 . . . . 0.0 112.048 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -51.09 -53.17 36.52 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.684 0.794 . . . . 0.0 112.41 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -59.01 -35.9 74.02 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -70.71 -43.01 69.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.123 0.969 . . . . 0.0 112.322 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.02 97.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.45 0.7 . . . . 0.0 111.724 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -67.91 -42.91 80.38 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.655 1.182 . . . . 0.0 112.399 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -66.0 -35.42 80.54 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.534 1.061 . . . . 0.0 112.104 175.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.9 m -66.23 -49.55 66.85 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.922 0.489 . . . . 0.0 111.693 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.51 -23.13 50.29 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -71.48 -29.22 64.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.327 0.967 . . . . 0.0 112.206 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.86 -32.96 52.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.213 1.005 . . . . 0.0 112.447 173.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 88.6 mmm -77.88 161.68 70.4 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.215 1.406 . . . . 0.0 113.371 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.48 168.04 25.41 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.293 2.662 . . . . 0.0 112.734 172.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.37 139.64 57.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.18 1.392 . . . . 0.0 112.781 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.08 87.54 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.282 1.896 . . . . 0.0 115.63 -176.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -73.78 132.6 42.78 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.301 1.051 . . . . 0.0 109.708 169.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -136.31 161.46 35.71 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.18 157.43 43.6 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 125.292 1.437 . . . . 0.0 110.922 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -119.69 136.45 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.424 1.089 . . . . 0.0 109.944 170.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -136.48 152.55 50.68 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.171 1.388 . . . . 0.0 111.803 -176.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.75 133.66 52.52 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 168.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.9 t -66.19 131.8 46.98 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -167.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -73.69 -9.31 58.53 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.777 1.631 . . . . 0.0 113.387 170.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.8 m -84.86 -42.06 15.44 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.915 0.78 . . . . 0.0 112.302 172.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 t -161.67 131.69 3.42 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.637 1.175 . . . . 0.0 111.24 172.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -66.51 149.15 84.49 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.841 2.361 . . . . 0.0 112.556 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.57 -21.12 44.81 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.122 1.344 . . . . 0.0 113.97 -175.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -94.67 159.46 15.06 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.991 1.317 . . . . 0.0 108.929 166.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -120.97 166.08 14.34 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.269 -0.894 . . . . 0.0 112.436 -176.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.44 130.07 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.065 1.346 . . . . 0.0 109.558 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.7 tp -91.67 120.14 32.17 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 125.817 1.647 . . . . 0.0 108.084 170.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -112.21 133.88 54.08 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.797 0.839 . . . . 0.0 109.721 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.3 m -136.02 139.54 43.19 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.646 1.178 . . . . 0.0 112.168 -172.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 p -81.87 101.19 10.05 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 169.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -142.92 152.67 42.3 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.2 t30 49.18 40.41 17.7 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.476 1.91 . . . . 0.0 113.273 -174.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.98 9.09 55.97 Favored Glycine 0 CA--C 1.542 1.738 0 N-CA-C 115.863 1.105 . . . . 0.0 115.863 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -129.66 -169.51 2.13 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.19 2.196 . . . . 0.0 110.756 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.3 t -117.8 134.97 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.106 0.962 . . . . 0.0 110.05 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -124.6 158.43 33.05 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.771 1.628 . . . . 0.0 111.375 -176.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -135.4 139.08 43.9 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.976 1.31 . . . . 0.0 111.279 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -137.41 128.14 27.05 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.583 1.553 . . . . 0.0 110.706 -175.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -73.67 131.96 42.21 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.4 -0.813 . . . . 0.0 112.011 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.8 mt -107.65 79.81 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.051 2.141 . . . . 0.0 106.799 169.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.8 m -77.85 140.22 39.34 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.857 1.263 . . . . 0.0 111.68 -173.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.55 129.1 34.16 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.263 0.625 . . . . 0.0 111.285 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -139.54 106.84 5.51 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.591 1.557 . . . . 0.0 109.697 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 51.82 31.8 8.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.015 1.326 . . . . 0.0 114.249 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.08 -1.34 88.9 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.681 1.61 . . . . 0.0 115.228 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -102.68 174.45 5.88 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.549 1.94 . . . . 0.0 111.029 173.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.9 mm -108.96 119.92 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.017 1.327 . . . . 0.0 111.39 -170.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -106.06 127.38 53.14 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.947 1.699 . . . . 0.0 110.089 172.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.2 tt -139.43 127.92 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.787 1.235 . . . . 0.0 110.628 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.5 t70 55.79 -83.89 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.339 1.856 . . . . 0.0 112.371 -168.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -134.21 -12.35 2.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.747 2.019 . . . . 0.0 112.888 171.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -80.89 136.62 36.09 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.927 1.691 . . . . 0.0 110.894 -176.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 tp -105.82 133.17 50.98 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.513 1.125 . . . . 0.0 110.751 170.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.13 154.05 47.9 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.641 1.976 . . . . 0.0 110.852 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.39 -35.82 82.11 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -156.32 172.21 18.88 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.511 1.525 . . . . 0.0 111.722 -174.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.87 -42.39 99.0 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.809 0.843 . . . . 0.0 113.027 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.52 -35.53 81.25 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.602 -0.686 . . . . 0.0 112.357 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.99 92.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.675 0.79 . . . . 0.0 112.59 172.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.82 79.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.32 0.648 . . . . 0.0 112.087 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.4 mm -58.44 -49.41 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.953 0.901 . . . . 0.0 110.459 173.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -59.81 -41.02 90.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.728 1.211 . . . . 0.0 112.22 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.11 -44.76 94.61 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.197 -0.94 . . . . 0.0 111.626 174.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -78.52 -2.6 39.49 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.4 mmt -83.29 -39.56 20.67 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.071 -1.018 . . . . 0.0 109.782 166.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -81.71 -29.01 33.16 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.735 1.214 . . . . 0.0 113.502 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -128.46 156.88 42.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.937 1.695 . . . . 0.0 111.628 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.52 140.25 49.84 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.0 -1.062 . . . . 0.0 111.638 176.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tt -81.52 -60.67 2.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.779 1.232 . . . . 0.0 110.436 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -145.41 -64.44 0.33 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.091 1.356 . . . . 0.0 110.455 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.75 -33.88 14.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.324 1.05 . . . . 0.0 113.054 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -157.8 -175.14 5.2 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.773 1.629 . . . . 0.0 110.762 173.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.1 p -87.97 161.84 17.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.818 1.647 . . . . 0.0 112.276 169.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.99 144.62 56.94 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.073 1.349 . . . . 0.0 110.878 171.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -125.66 -42.37 1.94 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -157.57 147.71 15.68 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.8 147.1 49.58 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.847 2.365 . . . . 0.0 111.663 171.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.58 144.49 56.4 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.631 0.772 . . . . 0.0 110.564 169.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -82.63 149.94 27.11 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.072 0.949 . . . . 0.0 112.108 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 125.921 1.688 . . . . 0.0 113.022 -179.221 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 46.3 m -140.34 154.48 46.77 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.161 1.384 . . . . 0.0 112.149 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 39.8 m -63.28 138.64 58.6 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.069 0.948 . . . . 0.0 112.333 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 79.69 -4.16 66.08 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.682 1.134 . . . . 0.0 115.771 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 49.6 m -80.82 47.48 0.98 Allowed 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.23 1.515 . . . . 0.0 112.711 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.4 m -75.23 -2.61 28.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.898 1.679 . . . . 0.0 115.419 -169.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -73.64 69.67 1.45 Allowed Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.481 1.515 . . . . 0.0 113.023 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mtp -127.86 156.86 41.9 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.324 1.849 . . . . 0.0 112.053 -174.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.45 50.46 1.11 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.6 1.56 . . . . 0.0 113.524 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -86.43 5.63 34.16 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.565 1.546 . . . . 0.0 114.085 -174.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.68 146.51 54.63 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.525 1.13 . . . . 0.0 113.421 -178.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.71 175.87 10.84 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.16 1.784 . . . . 0.0 111.46 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.17 145.5 80.7 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.51 0.724 . . . . 0.0 111.59 171.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.33 -20.39 55.27 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.161 2.574 . . . . 0.0 113.698 -171.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -86.08 -9.24 57.06 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -89.62 130.89 35.85 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.698 1.59 . . . . 0.0 112.482 -177.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -122.62 8.97 9.52 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.525 1.53 . . . . 0.0 114.27 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.85 -145.71 45.52 Favored Glycine 0 CA--C 1.537 1.435 0 O-C-N 120.817 -1.177 . . . . 0.0 113.494 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.7 53.4 4.35 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.502 3.468 . . . . 0.0 113.084 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 tp -71.72 142.4 49.79 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.808 1.243 . . . . 0.0 110.422 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.6 m -91.76 161.64 14.79 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.211 1.005 . . . . 0.0 112.197 175.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -49.62 -54.06 20.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.818 0.847 . . . . 0.0 112.591 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -57.95 -36.84 73.11 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -72.18 -40.31 68.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.179 0.992 . . . . 0.0 112.538 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.76 94.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.628 0.771 . . . . 0.0 111.868 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.6 -45.95 77.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.684 1.193 . . . . 0.0 111.995 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -70.66 -12.82 61.8 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.3 m -84.69 -53.78 5.14 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.239 0.927 . . . . 0.0 111.369 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.91 -26.34 60.48 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.38 -25.2 67.47 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.673 1.124 . . . . 0.0 112.521 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -90.4 -12.48 37.41 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.19 1.396 . . . . 0.0 113.729 173.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 95.2 mmm -93.1 160.03 34.36 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.332 1.453 . . . . 0.0 112.274 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.19 162.18 43.39 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.874 2.383 . . . . 0.0 111.895 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.59 138.82 51.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.548 1.139 . . . . 0.0 112.614 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.11 2.52 80.5 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.457 1.027 . . . . 0.0 114.775 -176.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 m -74.85 130.82 40.11 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.605 1.203 . . . . 0.0 109.192 168.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -137.18 161.93 34.83 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.47 157.88 43.76 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.04 1.336 . . . . 0.0 110.924 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -121.88 137.54 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.12 1.368 . . . . 0.0 109.594 171.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -137.27 154.95 50.01 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.178 1.391 . . . . 0.0 111.676 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.2 135.04 54.95 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.076 0.55 . . . . 0.0 109.846 169.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 t -66.85 132.8 48.77 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -169.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.6 p -86.85 -2.34 58.5 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.876 1.67 . . . . 0.0 113.08 169.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.8 m -120.46 -31.7 4.26 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.854 1.261 . . . . 0.0 114.187 -171.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.2 m -139.47 114.25 8.1 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.259 1.024 . . . . 0.0 111.758 -174.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -55.9 135.11 68.02 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.963 2.442 . . . . 0.0 113.74 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 -4.58 62.07 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.893 1.235 . . . . 0.0 115.929 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -95.89 162.3 13.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.26 1.53 . . . . 0.0 112.372 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -110.76 170.0 8.39 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.803 1.241 . . . . 0.0 110.072 169.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.0 t -136.61 128.82 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.417 1.087 . . . . 0.0 110.017 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.4 tp -90.28 122.89 33.59 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.166 1.786 . . . . 0.0 108.228 170.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 m -116.4 133.32 56.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.01 0.924 . . . . 0.0 109.934 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.1 m -135.93 143.58 45.0 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.49 1.116 . . . . 0.0 112.664 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 p -80.96 113.87 19.46 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 169.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -142.83 136.58 28.9 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.212 1.005 . . . . 0.0 112.466 -175.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.2 t30 52.53 38.4 25.58 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.958 1.703 . . . . 0.0 113.992 170.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.44 7.9 74.33 Favored Glycine 0 CA--C 1.539 1.55 0 N-CA-C 115.444 0.938 . . . . 0.0 115.444 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -129.43 -172.09 2.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.253 2.221 . . . . 0.0 110.971 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.2 t -120.6 133.76 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.444 1.098 . . . . 0.0 109.903 173.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.1 p -115.02 156.91 24.24 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.516 1.926 . . . . 0.0 111.23 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -139.17 137.32 35.95 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.879 1.271 . . . . 0.0 111.344 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -140.82 128.76 21.9 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.674 1.59 . . . . 0.0 110.659 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -73.62 133.64 43.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.814 1.188 . . . . 0.0 112.238 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.8 mt -99.42 78.97 2.24 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.454 2.301 . . . . 0.0 105.035 167.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.1 m -76.49 138.71 40.44 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.44 1.496 . . . . 0.0 111.984 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.12 125.19 29.5 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.102 0.561 . . . . 0.0 111.059 174.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -138.93 104.32 5.03 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.208 1.403 . . . . 0.0 109.75 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 50.46 33.4 7.72 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.318 1.447 . . . . 0.0 114.747 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.12 -4.2 86.41 Favored Glycine 0 CA--C 1.541 1.67 0 C-N-CA 125.962 1.744 . . . . 0.0 115.374 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -97.13 168.09 10.66 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.48 1.912 . . . . 0.0 111.638 172.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 mm -104.59 118.02 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.788 1.635 . . . . 0.0 110.243 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -103.43 129.48 50.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.736 1.614 . . . . 0.0 109.965 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.6 tt -139.37 125.79 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.262 1.025 . . . . 0.0 111.429 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 56.32 -70.77 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.901 2.48 . . . . 0.0 113.878 -169.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -143.02 -10.22 0.77 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.372 1.869 . . . . 0.0 113.643 169.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -89.9 137.53 32.26 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.985 1.714 . . . . 0.0 110.718 -171.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.4 tp -111.28 134.62 52.73 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.947 1.299 . . . . 0.0 111.719 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -135.2 155.45 50.65 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.06 1.744 . . . . 0.0 112.177 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.34 -35.82 82.1 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -156.52 172.26 18.86 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.149 1.379 . . . . 0.0 112.322 -172.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.9 -44.04 97.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.255 1.022 . . . . 0.0 113.171 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.57 -35.14 79.51 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.572 -0.705 . . . . 0.0 112.346 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.78 90.3 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.962 0.905 . . . . 0.0 112.587 172.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.82 -40.3 87.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.245 0.618 . . . . 0.0 112.324 176.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.2 mm -61.24 -50.66 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.138 0.975 . . . . 0.0 110.436 171.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.8 m -58.64 -39.97 82.07 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.557 1.143 . . . . 0.0 112.366 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -57.82 -44.01 86.15 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.062 -1.024 . . . . 0.0 112.038 174.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -80.47 2.68 24.21 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 51.3 mtt -92.09 -36.07 13.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.045 -1.034 . . . . 0.0 109.914 166.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -77.53 -29.1 52.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.706 1.203 . . . . 0.0 113.178 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -129.93 157.19 42.98 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.014 1.726 . . . . 0.0 111.851 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -72.97 145.0 47.04 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.948 -1.095 . . . . 0.0 111.707 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -83.0 -63.71 1.31 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.738 1.215 . . . . 0.0 110.987 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.3 -53.05 0.37 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.468 1.107 . . . . 0.0 111.428 177.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -112.49 -30.81 7.01 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.36 1.464 . . . . 0.0 111.895 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -150.87 175.63 11.84 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.816 1.247 . . . . 0.0 112.521 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.0 p -88.48 166.04 14.47 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.458 1.503 . . . . 0.0 112.107 170.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.78 127.49 32.74 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.322 1.049 . . . . 0.0 110.104 171.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -112.3 -42.16 3.76 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.462 1.105 . . . . 0.0 113.243 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -155.45 145.83 15.98 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -70.23 147.54 60.06 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.515 2.143 . . . . 0.0 110.815 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.6 tp -61.73 140.59 58.19 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.377 -0.827 . . . . 0.0 111.315 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.79 149.01 44.0 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.645 1.178 . . . . 0.0 112.878 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 125.381 1.472 . . . . 0.0 113.297 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 60.3 p -84.41 -14.49 49.22 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.112 1.365 . . . . 0.0 114.243 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 12.7 p -65.82 127.98 34.16 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.456 1.102 . . . . 0.0 111.73 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 72.99 -2.24 35.47 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.741 1.162 . . . . 0.0 115.823 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 87.9 p -121.46 -26.73 4.92 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.061 1.431 . . . . 0.0 113.937 -178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 11.9 t -70.42 155.89 40.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.382 1.073 . . . . 0.0 112.168 171.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -179.79 -158.85 22.65 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.748 1.166 . . . . 0.0 113.472 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.9 mtm -78.3 32.96 0.19 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.602 1.561 . . . . 0.0 114.159 -175.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.3 -15.39 62.47 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.849 -1.157 . . . . 0.0 114.089 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -69.86 -8.75 51.17 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 172.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.88 -1.9 37.3 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.4 154.38 34.92 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.95 1.3 . . . . 0.0 111.817 171.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.5 143.6 10.13 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.887 1.275 . . . . 0.0 111.911 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -61.37 -30.57 87.58 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.012 2.474 . . . . 0.0 113.967 -168.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -75.36 -11.53 60.07 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -84.07 133.47 34.64 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 120.556 1.525 . . . . 0.0 111.845 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -122.9 7.62 9.32 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.442 1.497 . . . . 0.0 114.195 -177.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.32 -147.0 48.43 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 120.893 -1.13 . . . . 0.0 113.185 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.04 54.91 5.09 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.422 3.415 . . . . 0.0 113.05 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 tp -72.43 141.15 48.65 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.682 1.193 . . . . 0.0 110.672 174.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -87.72 160.73 17.97 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.233 1.013 . . . . 0.0 112.198 175.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -51.06 -54.15 27.42 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.818 0.847 . . . . 0.0 112.711 176.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 m -57.52 -37.03 72.36 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.183 0.593 . . . . 0.0 112.556 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -69.93 -43.96 70.58 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.072 0.949 . . . . 0.0 112.259 174.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.42 99.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.495 0.718 . . . . 0.0 112.216 175.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.49 -45.42 79.68 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.591 1.157 . . . . 0.0 111.903 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -66.38 -34.25 77.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.033 0.833 . . . . 0.0 112.322 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 m -67.03 -44.36 80.42 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.032 0.533 . . . . 0.0 112.38 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.02 -26.71 28.91 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -65.02 -25.48 67.87 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.819 1.19 . . . . 0.0 112.202 173.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -77.3 -22.05 52.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.102 1.361 . . . . 0.0 113.369 171.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -98.74 160.62 27.43 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 125.831 1.652 . . . . 0.0 113.287 -172.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.0 162.93 41.01 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 123.221 2.614 . . . . 0.0 112.383 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.53 137.18 56.58 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.148 1.379 . . . . 0.0 113.056 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.18 5.3 85.74 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.636 1.112 . . . . 0.0 114.648 -176.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.4 m -73.92 129.04 37.09 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.976 1.388 . . . . 0.0 108.616 167.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.38 160.36 38.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -173.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.25 157.72 43.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.036 1.334 . . . . 0.0 110.741 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.26 135.57 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 124.855 1.262 . . . . 0.0 109.432 171.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -133.68 153.01 52.01 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.969 1.307 . . . . 0.0 111.527 -176.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.79 133.44 54.75 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.406 0.682 . . . . 0.0 109.651 169.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.3 t -65.8 129.34 39.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 122.161 0.981 . . . . 0.0 113.483 -168.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 p -80.91 -3.63 52.07 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.486 1.514 . . . . 0.0 112.955 169.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.5 m -108.42 -32.88 7.25 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.073 1.349 . . . . 0.0 113.745 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -145.59 143.91 21.24 Favored Pre-proline 0 N--CA 1.477 0.914 0 C-N-CA 123.835 0.854 . . . . 0.0 112.817 -177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.28 142.42 55.04 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 122.721 2.281 . . . . 0.0 111.817 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.72 -3.32 43.9 Favored Glycine 0 CA--C 1.542 1.73 0 N-CA-C 116.296 1.278 . . . . 0.0 116.296 176.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -99.06 163.8 12.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.917 1.359 . . . . 0.0 112.185 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -118.33 170.55 8.81 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.07 1.348 . . . . 0.0 111.334 173.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.99 129.16 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.878 1.271 . . . . 0.0 109.713 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 tp -89.39 124.49 34.5 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.539 1.536 . . . . 0.0 108.283 170.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 m -114.58 136.21 53.28 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.859 0.864 . . . . 0.0 109.861 172.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.0 t -141.08 143.43 34.34 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.037 0.935 . . . . 0.0 112.083 -174.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 p -79.15 113.19 17.07 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.112 -0.992 . . . . 0.0 109.402 171.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -139.41 123.47 17.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.258 1.023 . . . . 0.0 113.527 -173.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.2 t30 50.36 50.59 18.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.898 2.079 . . . . 0.0 113.274 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.31 86.16 Favored Glycine 0 CA--C 1.538 1.493 0 N-CA-C 115.996 1.158 . . . . 0.0 115.996 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -139.34 -173.85 3.71 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.204 1.801 . . . . 0.0 111.22 175.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -114.89 134.06 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.097 0.959 . . . . 0.0 111.008 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.7 p -110.74 158.86 18.18 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.592 1.957 . . . . 0.0 111.391 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -139.01 137.28 36.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.029 1.332 . . . . 0.0 111.187 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -138.9 131.03 28.15 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.288 1.435 . . . . 0.0 111.836 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -67.43 132.63 48.02 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.583 -0.698 . . . . 0.0 112.118 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.0 mt -111.0 80.47 1.31 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.853 2.061 . . . . 0.0 105.996 168.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -82.08 139.93 34.15 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.771 1.228 . . . . 0.0 112.023 -170.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.77 127.78 35.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.465 0.706 . . . . 0.0 112.416 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -134.91 114.09 12.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.459 1.503 . . . . 0.0 109.914 170.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 52.01 30.12 7.02 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.829 1.252 . . . . 0.0 114.135 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.56 -3.84 83.8 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.877 1.703 . . . . 0.0 115.296 -176.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -93.12 163.15 13.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.908 1.683 . . . . 0.0 111.44 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.3 mm -108.45 114.94 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.513 1.525 . . . . 0.0 111.934 -168.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -98.78 127.26 44.65 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.18 1.792 . . . . 0.0 109.972 173.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 tt -141.16 130.52 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.249 1.02 . . . . 0.0 111.036 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 t70 51.99 -92.25 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.08 1.752 . . . . 0.0 113.151 -169.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.9 p -130.4 8.31 5.02 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.894 2.077 . . . . 0.0 112.754 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -107.1 148.66 28.51 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.716 2.006 . . . . 0.0 111.097 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.5 tp -123.12 131.41 53.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.425 1.49 . . . . 0.0 110.234 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -129.2 155.6 45.28 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 126.356 1.862 . . . . 0.0 111.38 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.61 -35.06 79.71 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -157.24 171.72 19.92 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.303 1.441 . . . . 0.0 111.956 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.65 -43.18 99.35 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.028 0.931 . . . . 0.0 113.072 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.52 -36.01 82.37 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.598 -0.689 . . . . 0.0 112.246 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.91 92.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.884 0.874 . . . . 0.0 112.625 172.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.43 88.34 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.209 0.604 . . . . 0.0 112.205 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.6 mm -59.6 -50.36 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.042 0.937 . . . . 0.0 110.501 172.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.6 m -59.16 -40.64 86.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.575 1.15 . . . . 0.0 112.266 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.48 -44.23 89.26 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.164 -0.96 . . . . 0.0 111.847 174.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -78.81 1.19 24.13 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.2 mtt -91.2 -37.34 13.39 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.055 -1.028 . . . . 0.0 110.034 166.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -77.02 -28.99 55.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.603 1.161 . . . . 0.0 113.164 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -129.97 157.08 43.29 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.086 1.754 . . . . 0.0 111.703 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.47 144.48 49.67 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.037 -1.04 . . . . 0.0 111.745 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 tt -82.06 -64.41 1.19 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.905 1.282 . . . . 0.0 110.762 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -144.63 -51.39 0.29 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.442 1.097 . . . . 0.0 111.646 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -110.11 -32.37 7.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.69 1.596 . . . . 0.0 111.776 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -152.29 175.17 12.93 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.822 1.249 . . . . 0.0 112.403 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 61.5 p -88.42 162.93 16.23 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.187 1.395 . . . . 0.0 112.177 169.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.26 128.73 37.64 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.307 1.043 . . . . 0.0 110.042 172.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -106.62 -45.61 4.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.749 1.22 . . . . 0.0 113.075 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -154.54 142.59 14.2 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -64.02 144.01 86.45 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.826 2.351 . . . . 0.0 112.3 168.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp -68.23 148.32 50.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 167.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -88.83 140.49 29.39 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.464 -0.773 . . . . 0.0 111.892 176.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 124.896 1.278 . . . . 0.0 112.079 170.681 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 33.6 m -68.51 154.83 41.1 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.598 1.159 . . . . 0.0 113.374 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 65.3 p -82.96 -7.41 59.67 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -64.98 155.74 48.35 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.319 0.962 . . . . 0.0 113.755 177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 33.7 m 54.7 31.98 16.41 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.53 1.532 . . . . 0.0 114.558 -176.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.4 t -61.06 139.12 58.15 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.348 -0.845 . . . . 0.0 111.949 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 76.3 -0.4 63.84 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.797 1.189 . . . . 0.0 115.591 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt -62.14 128.72 37.47 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.282 1.541 . . . . 0.0 111.278 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.06 26.34 4.78 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.946 1.699 . . . . 0.0 115.248 -178.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -70.02 -33.66 72.29 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.004 -1.06 . . . . 0.0 113.204 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.32 9.62 0.26 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.4 2.68 . . . . 0.0 117.429 173.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.45 159.26 15.32 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.379 1.472 . . . . 0.0 112.972 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.06 148.08 98.94 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 123.594 0.758 . . . . 0.0 111.144 169.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.54 -22.66 58.33 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 122.817 2.344 . . . . 0.0 113.377 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 -85.28 -8.62 58.42 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 174.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -87.72 127.94 35.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.823 1.647 . . . . 0.0 112.255 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -119.29 0.21 11.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.084 1.754 . . . . 0.0 113.742 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.22 -140.54 41.68 Favored Glycine 0 CA--C 1.54 1.624 0 CA-C-O 118.744 -1.031 . . . . 0.0 113.707 174.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -67.43 46.25 0.28 Allowed 'Trans proline' 0 CA--C 1.549 1.273 1 C-N-CA 125.395 4.063 . . . . 0.0 116.667 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 tp -71.7 149.6 45.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.787 -1.195 . . . . 0.0 110.34 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.7 m -91.87 156.35 17.55 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.884 0.874 . . . . 0.0 111.454 171.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -53.05 -48.63 67.51 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.739 -0.601 . . . . 0.0 112.548 175.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -57.19 -37.72 72.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.268 0.627 . . . . 0.0 112.597 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -71.48 -41.44 69.34 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.093 0.957 . . . . 0.0 112.252 174.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.52 98.73 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.539 0.736 . . . . 0.0 111.91 173.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.11 -45.85 75.95 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.73 1.212 . . . . 0.0 112.296 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -64.97 -31.35 72.54 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.089 0.858 . . . . 0.0 112.389 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -71.03 -52.37 19.94 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.07 0.548 . . . . 0.0 111.787 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.73 -25.72 59.31 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.63 -26.55 63.53 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.196 0.907 . . . . 0.0 112.25 173.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -80.74 -33.04 35.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.737 1.215 . . . . 0.0 112.478 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -75.92 161.6 75.03 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 125.397 1.479 . . . . 0.0 113.741 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.51 164.33 29.14 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.373 2.715 . . . . 0.0 112.479 169.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.37 145.29 52.06 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.673 1.189 . . . . 0.0 112.692 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 8.26 87.83 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.98 0.8 . . . . 0.0 114.483 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.0 m -77.55 130.51 37.02 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.139 0.969 . . . . 0.0 109.282 169.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -137.41 160.69 38.38 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.2 156.08 43.15 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 125.153 1.381 . . . . 0.0 110.743 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.81 135.08 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.327 1.451 . . . . 0.0 109.275 171.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -140.93 163.13 33.78 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.076 1.351 . . . . 0.0 111.484 -173.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -60.98 136.45 58.09 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.911 0.884 . . . . 0.0 111.081 170.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.5 t -75.78 135.01 40.29 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -170.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 m -58.73 120.5 9.06 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.735 1.214 . . . . 0.0 110.75 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m 53.67 22.25 3.01 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -133.3 87.1 39.34 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 124.96 1.304 . . . . 0.0 111.702 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -56.47 134.49 64.63 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.257 2.638 . . . . 0.0 113.028 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.18 -6.41 56.77 Favored Glycine 0 CA--C 1.539 1.59 0 N-CA-C 115.939 1.136 . . . . 0.0 115.939 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -98.01 161.6 13.64 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.307 1.554 . . . . 0.0 111.651 172.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -122.84 170.65 9.87 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.833 1.253 . . . . 0.0 111.781 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.7 t -135.37 128.27 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.996 1.319 . . . . 0.0 110.112 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.5 tp -89.3 120.64 30.83 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.913 1.685 . . . . 0.0 107.618 169.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -112.63 135.34 53.47 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.7 0.8 . . . . 0.0 109.697 173.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.3 m -136.69 142.77 43.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.233 1.013 . . . . 0.0 112.278 -172.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.6 p -82.0 112.03 18.72 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.959 0.885 . . . . 0.0 108.653 169.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.24 135.84 34.34 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.805 1.242 . . . . 0.0 112.2 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 53.61 38.12 27.53 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.694 1.597 . . . . 0.0 113.965 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.26 8.45 74.93 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.302 0.953 . . . . 0.0 115.394 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -132.3 -171.52 2.66 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.009 2.124 . . . . 0.0 110.878 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -121.02 135.34 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.235 1.014 . . . . 0.0 110.459 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.5 p -117.86 157.4 26.71 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.539 1.936 . . . . 0.0 111.151 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.81 137.79 35.27 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.953 1.301 . . . . 0.0 111.12 -178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -140.72 127.26 20.11 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.36 1.464 . . . . 0.0 110.78 -174.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -71.5 134.4 46.5 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.093 -1.005 . . . . 0.0 112.292 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -104.8 81.07 1.71 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 128.175 2.59 . . . . 0.0 105.781 168.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.6 m -79.79 139.43 37.24 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.754 1.222 . . . . 0.0 111.681 -172.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.25 126.1 30.7 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.168 0.587 . . . . 0.0 111.107 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -139.22 109.31 6.4 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.554 1.542 . . . . 0.0 109.637 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 51.96 31.13 8.13 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.937 1.295 . . . . 0.0 114.277 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.33 0.8 90.27 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.692 1.615 . . . . 0.0 115.217 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -106.75 174.01 6.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.898 2.079 . . . . 0.0 111.088 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.9 mm -108.01 120.18 58.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.967 1.307 . . . . 0.0 111.387 -170.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -105.59 128.19 53.47 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.96 1.704 . . . . 0.0 110.09 172.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.9 tt -139.37 127.87 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.841 1.257 . . . . 0.0 110.45 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 54.92 -95.12 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.53 1.532 . . . . 0.0 111.411 -167.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.7 p -119.73 -13.34 9.13 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.325 1.45 . . . . 0.0 113.372 169.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -80.97 135.63 35.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.818 1.647 . . . . 0.0 111.39 -173.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.9 tp -106.44 134.08 50.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.783 1.233 . . . . 0.0 110.781 171.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -131.84 154.34 49.26 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.65 1.98 . . . . 0.0 110.966 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.9 -35.78 82.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -156.46 172.14 19.05 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.544 1.538 . . . . 0.0 111.62 -173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.31 -43.76 98.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.871 0.868 . . . . 0.0 112.935 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.5 -35.45 80.5 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.644 -0.66 . . . . 0.0 112.289 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.753 0.821 . . . . 0.0 112.674 172.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.68 86.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.279 0.632 . . . . 0.0 112.184 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -60.01 -49.77 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.937 0.895 . . . . 0.0 110.342 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.6 m -59.03 -38.79 80.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.675 1.19 . . . . 0.0 112.431 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -60.95 -46.49 90.5 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.209 -0.932 . . . . 0.0 111.846 173.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -77.8 -5.73 51.76 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.8 mmt -76.81 -36.36 56.98 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.984 -1.073 . . . . 0.0 110.144 166.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -88.0 -28.33 21.49 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.01 1.324 . . . . 0.0 113.42 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -128.29 146.71 50.67 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.503 1.521 . . . . 0.0 111.996 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -65.67 136.88 56.87 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.493 -0.754 . . . . 0.0 111.476 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.29 -62.43 1.66 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.4 1.08 . . . . 0.0 110.757 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -142.9 -49.09 0.33 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.517 1.127 . . . . 0.0 111.23 173.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -110.37 -33.68 6.56 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.265 1.426 . . . . 0.0 111.578 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -155.8 174.93 14.61 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.332 1.053 . . . . 0.0 113.285 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.2 m -84.4 158.92 20.94 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.386 1.474 . . . . 0.0 112.218 174.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.4 mt -64.5 146.12 55.06 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.704 1.201 . . . . 0.0 110.979 169.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -136.2 -41.65 0.65 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -149.88 144.76 18.0 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.18 154.77 56.98 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.657 2.238 . . . . 0.0 111.39 170.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp -74.1 153.24 39.67 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.95 0.9 . . . . 0.0 112.057 169.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -93.71 143.66 26.11 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.772 1.629 . . . . 0.0 111.509 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.151 0 C-N-CA 125.908 1.683 . . . . 0.0 113.051 173.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 22.3 m 60.81 174.12 0.1 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.386 1.875 . . . . 0.0 115.113 -176.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 78.1 p -76.07 -18.85 59.03 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -177.387 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 75.8 11.45 84.58 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.636 1.113 . . . . 0.0 115.234 -178.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 42.4 t -145.34 146.0 31.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.901 1.281 . . . . 0.0 112.183 178.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.1 m -78.32 -15.84 58.33 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.357 1.063 . . . . 0.0 113.341 174.257 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 65.04 19.07 65.46 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 124.451 1.024 . . . . 0.0 114.934 -179.187 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -78.61 156.52 29.06 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.125 1.37 . . . . 0.0 114.085 -170.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.8 172.76 12.95 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.93 1.292 . . . . 0.0 112.748 174.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.21 146.51 49.0 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.279 1.432 . . . . 0.0 110.806 173.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.01 11.5 3.35 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.029 2.131 . . . . 0.0 115.035 -173.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.33 153.43 42.66 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.493 1.117 . . . . 0.0 112.457 177.155 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.21 150.11 54.29 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.126 0.97 . . . . 0.0 112.624 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.53 -21.1 46.75 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 122.931 2.421 . . . . 0.0 113.608 -174.511 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -91.67 -4.64 54.92 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.141 1.776 . . . . 0.0 114.343 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -94.88 128.48 41.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.081 1.309 . . . . 0.0 113.055 -171.068 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -115.13 -1.45 13.0 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -175.028 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.15 -141.18 37.14 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.913 -1.117 . . . . 0.0 112.533 -177.032 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.62 56.56 5.64 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 124.487 3.458 . . . . 0.0 113.406 -175.018 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.4 141.27 45.1 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.798 1.239 . . . . 0.0 110.607 173.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.8 m -87.97 159.82 18.16 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.245 1.018 . . . . 0.0 111.799 173.33 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -51.41 -52.08 49.18 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.632 0.773 . . . . 0.0 112.651 176.006 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -57.11 -37.27 71.72 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -175.517 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.46 -42.56 74.72 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.202 1.001 . . . . 0.0 112.343 175.262 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.36 93.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.489 0.716 . . . . 0.0 111.991 174.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.89 -42.46 85.49 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.593 1.157 . . . . 0.0 112.342 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -65.05 -39.04 92.72 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.034 0.834 . . . . 0.0 111.952 175.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 m -70.21 -44.51 68.46 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.285 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mp -76.43 -17.62 59.24 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.7 tp -78.38 -30.19 47.76 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.733 0.813 . . . . 0.0 111.826 168.413 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -73.75 -33.48 64.31 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.548 1.139 . . . . 0.0 112.455 171.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -83.47 162.12 54.52 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.902 1.681 . . . . 0.0 113.299 178.345 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -73.71 166.96 28.44 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.335 2.69 . . . . 0.0 112.624 172.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.11 141.08 41.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.586 1.554 . . . . 0.0 113.128 175.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.7 2.17 89.9 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.646 1.117 . . . . 0.0 115.033 -177.008 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.4 m -75.35 129.81 37.98 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.324 1.062 . . . . 0.0 109.176 168.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -135.05 162.17 33.23 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -177.156 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.88 160.5 41.71 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.208 1.403 . . . . 0.0 111.036 174.702 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.6 t -122.75 138.68 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.257 1.023 . . . . 0.0 109.533 169.357 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -134.13 157.87 45.09 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.342 1.457 . . . . 0.0 111.612 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -63.9 135.35 56.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.192 0.997 . . . . 0.0 110.104 169.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 t -70.95 132.65 45.51 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -169.389 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 p -86.24 4.18 39.92 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.858 1.663 . . . . 0.0 113.892 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 t -144.62 125.8 14.65 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.942 1.297 . . . . 0.0 110.676 169.689 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.7 m 65.22 137.7 0.05 OUTLIER Pre-proline 0 N--CA 1.482 1.15 0 C-N-CA 127.589 2.355 . . . . 0.0 114.949 -168.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -77.52 158.78 32.46 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.687 2.924 . . . . 0.0 113.332 -175.243 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.56 -1.54 57.12 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.961 1.267 . . . . 0.0 116.085 173.413 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -99.69 166.42 11.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.299 1.44 . . . . 0.0 112.188 179.233 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -122.7 174.03 7.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.048 1.339 . . . . 0.0 111.369 173.168 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -138.36 128.11 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.623 1.169 . . . . 0.0 109.841 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -89.55 127.99 35.95 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.361 1.464 . . . . 0.0 107.963 170.208 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -119.87 137.81 53.79 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.472 0.709 . . . . 0.0 110.147 172.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 t -141.0 144.78 35.23 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.935 0.894 . . . . 0.0 112.23 -174.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.9 p -81.33 110.71 17.03 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.08 -1.013 . . . . 0.0 109.303 172.058 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -137.26 109.78 7.45 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -170.401 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 48.0 t30 54.75 57.67 5.49 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.614 1.966 . . . . 0.0 113.348 174.624 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.41 9.41 86.85 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 115.811 1.084 . . . . 0.0 115.811 172.327 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -143.56 177.78 8.24 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.241 2.216 . . . . 0.0 110.532 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.68 132.66 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.287 1.035 . . . . 0.0 110.348 173.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.7 p -110.48 158.47 18.47 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.327 1.851 . . . . 0.0 111.37 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -140.45 137.86 34.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.231 1.413 . . . . 0.0 111.028 -178.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -140.11 127.54 21.4 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.024 1.33 . . . . 0.0 111.758 -174.589 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -67.03 131.0 44.95 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.616 0.766 . . . . 0.0 111.632 176.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.3 mt -108.6 83.11 1.71 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.904 2.081 . . . . 0.0 106.325 169.104 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.7 m -82.87 137.59 34.21 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 124.55 1.14 . . . . 0.0 111.827 -171.378 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.57 129.27 34.93 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.3 0.64 . . . . 0.0 112.661 -177.448 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -135.46 111.78 9.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.388 1.475 . . . . 0.0 109.947 171.129 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 51.9 30.19 6.9 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.875 1.27 . . . . 0.0 114.269 -176.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.04 -7.56 77.25 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.921 1.724 . . . . 0.0 115.331 -176.322 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -86.65 162.32 18.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.489 1.516 . . . . 0.0 111.368 172.112 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.1 mm -112.51 112.35 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.912 1.685 . . . . 0.0 111.318 -169.386 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -95.82 127.61 42.0 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.315 1.846 . . . . 0.0 110.058 174.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 tt -142.62 130.55 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.319 1.047 . . . . 0.0 111.178 175.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t70 51.75 -93.0 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.069 1.748 . . . . 0.0 113.12 -169.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.5 p -129.77 8.34 5.3 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.825 2.05 . . . . 0.0 112.813 177.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -106.24 149.31 27.0 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.555 1.942 . . . . 0.0 111.024 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.1 tp -124.29 128.25 48.87 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.387 1.475 . . . . 0.0 110.005 172.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -124.32 156.15 37.47 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.061 1.744 . . . . 0.0 111.204 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.63 -34.22 77.4 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -156.76 172.56 18.39 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.306 1.442 . . . . 0.0 111.416 -172.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -48.51 81.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.133 0.973 . . . . 0.0 112.094 -177.386 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.21 -32.15 73.62 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.057 0.943 . . . . 0.0 112.683 -175.739 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.52 84.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.574 0.75 . . . . 0.0 112.571 171.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.66 79.83 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.554 0.616 . . . . 0.0 111.894 174.019 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.3 mm -57.87 -50.81 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 121.536 0.684 . . . . 0.0 109.987 172.36 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.3 m -59.45 -40.81 88.04 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.311 1.444 . . . . 0.0 112.138 -178.662 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.31 -46.44 90.29 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.419 -0.8 . . . . 0.0 111.835 173.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -78.06 -6.5 54.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.8 mmt -77.74 -37.52 49.08 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.903 -1.123 . . . . 0.0 110.058 166.625 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -85.92 -28.52 24.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.856 1.262 . . . . 0.0 113.502 -178.743 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -129.2 148.28 51.12 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.582 1.553 . . . . 0.0 111.786 -176.643 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.22 137.16 57.8 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.522 -0.736 . . . . 0.0 111.512 179.336 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 tt -75.5 -62.39 1.59 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.482 1.113 . . . . 0.0 110.584 -175.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -144.48 -46.04 0.25 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.703 1.201 . . . . 0.0 111.211 172.685 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -115.5 -31.39 5.91 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.944 1.698 . . . . 0.0 111.743 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -155.14 172.37 18.26 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.358 1.063 . . . . 0.0 113.119 175.357 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.0 m -83.96 156.78 22.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.094 1.358 . . . . 0.0 112.036 173.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.4 mt -63.32 146.03 54.33 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.417 1.087 . . . . 0.0 110.725 169.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -132.42 -42.41 0.95 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -177.264 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -154.87 147.66 17.94 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.26 149.2 35.31 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.787 2.324 . . . . 0.0 111.995 173.193 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.2 tp -72.57 146.12 46.93 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.703 0.801 . . . . 0.0 109.589 167.255 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -76.33 132.42 39.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.693 0.797 . . . . 0.0 111.472 -174.151 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.535 1.934 . . . . 0.0 112.33 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.963 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -60.99 -30.44 89.85 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 121.841 1.694 . . . . 0.0 112.703 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -80.27 -6.1 57.33 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -90.43 129.48 36.61 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 121.165 1.802 . . . . 0.0 112.709 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -121.76 8.36 9.99 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.728 1.611 . . . . 0.0 114.113 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.62 -144.66 45.88 Favored Glycine 0 CA--C 1.541 1.668 0 O-C-N 120.565 -1.334 . . . . 0.0 113.722 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.32 55.61 4.7 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.599 3.533 . . . . 0.0 113.48 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 tp -76.79 138.96 40.2 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.847 1.259 . . . . 0.0 110.688 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -81.02 163.04 23.54 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.259 -0.901 . . . . 0.0 112.827 173.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -55.47 -48.16 74.98 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.647 -0.658 . . . . 0.0 112.323 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 m -59.95 -39.17 84.66 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.394 0.678 . . . . 0.0 112.051 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.9 -42.26 63.75 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.754 1.621 . . . . 0.0 111.962 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.64 89.28 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.018 0.527 . . . . 0.0 111.496 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -67.76 -40.7 84.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.427 1.091 . . . . 0.0 112.278 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -71.91 -21.03 61.69 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.9 m -80.73 -53.63 6.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.152 0.981 . . . . 0.0 111.27 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.16 -30.24 63.43 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 118.113 -0.946 . . . . 0.0 113.485 -173.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.45 -16.87 63.17 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.784 1.175 . . . . 0.0 112.963 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -95.35 -14.22 24.07 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.316 1.446 . . . . 0.0 113.118 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mmm -101.59 157.56 33.44 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.195 1.798 . . . . 0.0 110.614 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -68.11 163.48 35.8 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 121.901 1.734 . . . . 0.0 111.672 172.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.44 139.4 57.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.908 1.683 . . . . 0.0 113.517 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.96 10.59 78.4 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.727 1.156 . . . . 0.0 113.979 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -83.03 130.44 35.14 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.324 1.062 . . . . 0.0 108.679 169.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -135.61 160.16 39.37 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -174.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -145.12 159.23 43.31 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.132 1.373 . . . . 0.0 111.025 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.0 t -121.02 137.75 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.698 1.199 . . . . 0.0 109.541 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -138.62 161.09 37.99 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.722 1.609 . . . . 0.0 111.305 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.28 146.96 52.35 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.26 1.024 . . . . 0.0 111.12 168.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.466 0.326 0 O-C-N 121.228 -0.92 . . . . 0.0 113.178 -165.441 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.258 0.552 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -118.19 171.24 8.25 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.106 -0.996 . . . . 0.0 112.125 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.95 128.86 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.064 1.346 . . . . 0.0 109.743 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.79 127.95 35.02 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.816 1.646 . . . . 0.0 107.864 166.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.7 m -117.64 140.77 49.19 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.197 0.999 . . . . 0.0 109.64 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 143.26 41.99 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.136 1.374 . . . . 0.0 113.039 -170.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.9 p -87.36 112.6 22.27 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.403 -0.81 . . . . 0.0 109.705 165.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -147.64 138.05 23.12 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.457 1.103 . . . . 0.0 111.121 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 50.76 46.81 25.47 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.863 1.265 . . . . 0.0 112.931 173.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.03 9.86 54.86 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.946 1.26 . . . . 0.0 116.063 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -135.22 -167.19 1.96 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.855 1.662 . . . . 0.0 110.682 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.0 t -122.03 136.71 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.133 0.973 . . . . 0.0 110.255 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.8 p -114.65 161.42 18.13 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.316 2.246 . . . . 0.0 111.018 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -144.88 131.34 19.77 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.301 1.04 . . . . 0.0 111.133 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -131.87 136.18 47.24 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.479 1.511 . . . . 0.0 110.036 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -82.61 135.94 34.93 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.337 -0.852 . . . . 0.0 111.68 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.8 mt -109.9 81.62 1.47 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.711 2.404 . . . . 0.0 106.755 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.9 m -78.87 145.65 34.05 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.162 0.985 . . . . 0.0 111.591 -173.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.42 124.57 32.16 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -136.45 107.88 6.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.493 1.117 . . . . 0.0 109.73 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.253 36.8 mt-10 48.9 31.83 3.43 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -171.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.34 -4.28 84.22 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 120.818 -1.176 . . . . 0.0 114.87 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -94.78 174.85 6.9 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.613 1.965 . . . . 0.0 110.862 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.2 mm -112.28 115.73 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.204 1.402 . . . . 0.0 110.711 -171.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -98.11 130.07 44.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.528 1.531 . . . . 0.0 109.888 172.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tt -142.24 127.17 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.131 0.972 . . . . 0.0 110.557 173.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 t70 46.71 -115.12 0.57 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.24 0.616 . . . . 0.0 109.862 -160.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.7 p -93.68 -20.48 20.13 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.755 1.622 . . . . 0.0 113.223 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -77.13 146.67 37.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.579 1.552 . . . . 0.0 112.756 -171.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -124.97 124.68 42.53 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.344 1.058 . . . . 0.0 110.484 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -122.03 153.36 38.7 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.759 1.624 . . . . 0.0 110.815 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.04 -36.78 84.7 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -157.33 173.74 16.47 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.451 1.5 . . . . 0.0 110.932 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.04 -40.78 98.72 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.75 -33.54 74.09 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.904 0.774 . . . . 0.0 112.112 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.26 90.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.463 0.705 . . . . 0.0 112.804 169.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.32 80.72 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.677 0.671 . . . . 0.0 112.02 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.5 mm -62.71 -47.68 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.71 -0.619 . . . . 0.0 110.664 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.8 m -61.08 -39.54 90.31 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.462 0.705 . . . . 0.0 111.998 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -58.38 -45.14 88.89 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.151 0.887 . . . . 0.0 112.189 175.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -82.22 6.66 15.99 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.1 mtt -87.25 -41.44 13.69 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.04 -1.038 . . . . 0.0 111.258 160.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -73.89 -33.42 64.01 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.046 0.938 . . . . 0.0 112.551 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -122.65 156.98 33.21 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.279 1.432 . . . . 0.0 111.971 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -71.53 146.56 48.41 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.461 -0.774 . . . . 0.0 111.513 172.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.83 -55.79 3.49 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.414 1.086 . . . . 0.0 111.343 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -152.49 -46.49 0.1 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.248 1.419 . . . . 0.0 110.897 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -119.37 -20.11 7.99 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -160.02 174.96 13.56 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.873 1.269 . . . . 0.0 109.988 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.9 p -90.4 160.37 16.1 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.966 0.889 . . . . 0.0 112.333 166.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.5 mt -65.48 138.76 58.31 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.256 1.422 . . . . 0.0 110.612 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -126.08 -37.44 2.25 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -176.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -157.38 145.17 13.95 Favored Pre-proline 0 CA--C 1.546 0.806 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.1 140.7 34.88 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.964 2.443 . . . . 0.0 112.015 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 CA--C 1.539 0.544 0 O-C-N 121.609 -0.682 . . . . 0.0 110.797 169.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.859 0 CA-C-O 119.131 -0.462 . . . . 0.0 111.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -63.79 -32.44 67.4 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 122.809 2.34 . . . . 0.0 113.15 -170.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -77.28 -10.71 59.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.377 1.471 . . . . 0.0 114.194 174.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -86.21 132.06 34.09 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.52 1.509 . . . . 0.0 111.741 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -121.72 3.7 10.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.836 1.655 . . . . 0.0 114.426 -176.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -137.41 32.31 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 120.796 -1.19 . . . . 0.0 113.597 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.72 50.21 3.17 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 124.713 3.609 . . . . 0.0 113.668 -173.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 tp -74.14 151.83 39.98 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.88 1.272 . . . . 0.0 110.726 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.7 m -106.86 162.74 13.54 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.003 1.321 . . . . 0.0 111.958 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -52.99 -47.17 68.44 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.824 0.849 . . . . 0.0 112.636 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.1 m -59.89 -38.58 82.67 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.811 0.844 . . . . 0.0 112.4 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.18 -39.5 65.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.039 0.936 . . . . 0.0 112.034 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.66 99.9 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.452 0.701 . . . . 0.0 111.892 173.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.78 -48.81 77.52 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.383 1.073 . . . . 0.0 111.893 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.78 -31.09 72.16 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.629 0.649 . . . . 0.0 112.541 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -71.01 -48.51 52.73 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.533 0.606 . . . . 0.0 112.096 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.41 -26.76 35.13 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -173.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.8 tp -63.8 -24.99 67.98 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.313 0.96 . . . . 0.0 112.373 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -88.73 -11.67 44.45 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.511 1.525 . . . . 0.0 113.744 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.1 mmm -100.36 161.45 24.03 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.591 1.557 . . . . 0.0 113.362 -176.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.53 164.77 24.99 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.448 2.765 . . . . 0.0 112.675 171.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.64 140.38 51.29 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.116 1.367 . . . . 0.0 112.756 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.64 11.46 85.24 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.202 0.906 . . . . 0.0 114.057 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.8 m -74.64 127.22 32.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.112 0.956 . . . . 0.0 109.004 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -132.81 160.07 37.96 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.55 159.42 43.14 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 125.037 1.335 . . . . 0.0 110.959 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -126.17 138.41 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 124.816 1.246 . . . . 0.0 109.727 170.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -136.74 160.4 38.96 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.131 1.372 . . . . 0.0 111.977 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.3 133.67 56.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.845 0.858 . . . . 0.0 110.439 169.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -169.001 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 . . . . . 0 CA--C 1.543 0.673 0 CA-C-O 121.297 0.57 . . . . 0.0 111.7 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -127.82 170.3 12.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.166 1.386 . . . . 0.0 112.077 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -137.04 130.0 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.509 1.123 . . . . 0.0 110.111 176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -90.73 131.93 36.11 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.992 1.717 . . . . 0.0 108.603 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -123.41 141.73 51.7 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.538 0.735 . . . . 0.0 110.536 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.4 t -142.59 145.84 33.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.017 0.927 . . . . 0.0 112.651 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 p -82.88 102.33 11.58 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 122.423 1.106 . . . . 0.0 110.574 173.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.39 141.31 49.84 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.683 1.193 . . . . 0.0 112.648 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.55 35.7 21.53 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.506 1.522 . . . . 0.0 113.539 170.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.48 9.22 77.6 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.37 0.908 . . . . 0.0 115.37 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -131.09 -169.17 2.12 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.209 2.204 . . . . 0.0 111.024 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.34 130.94 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.576 1.15 . . . . 0.0 110.069 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.0 p -106.27 158.36 16.92 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.198 1.799 . . . . 0.0 111.379 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -142.12 138.48 31.68 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.055 1.342 . . . . 0.0 111.585 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -142.42 129.01 20.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.386 1.474 . . . . 0.0 112.108 -175.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -76.93 129.87 36.75 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.573 -0.704 . . . . 0.0 111.437 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.55 104.98 15.43 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.952 2.101 . . . . 0.0 107.568 170.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -94.81 141.08 29.04 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.308 1.443 . . . . 0.0 111.962 -171.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.53 122.25 32.52 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.656 -0.653 . . . . 0.0 111.554 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -136.62 126.86 26.4 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.756 1.222 . . . . 0.0 110.509 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 51.93 28.76 5.41 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.257 1.423 . . . . 0.0 114.674 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.27 84.87 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.497 1.522 . . . . 0.0 115.273 -176.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.36 158.94 15.21 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.315 1.846 . . . . 0.0 111.848 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.2 mm -92.92 118.55 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 125.322 1.449 . . . . 0.0 109.932 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -103.4 148.33 26.03 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.911 1.684 . . . . 0.0 110.885 170.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.9 tt -149.35 116.8 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.386 1.074 . . . . 0.0 109.017 169.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.3 t0 52.55 -102.09 0.13 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.647 1.579 . . . . 0.0 112.73 -168.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.9 p -109.95 -0.98 17.96 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.928 1.691 . . . . 0.0 113.734 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -92.1 148.47 22.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.777 1.631 . . . . 0.0 110.676 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.7 tp -137.45 135.11 36.56 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.42 1.488 . . . . 0.0 111.283 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -140.47 156.88 46.21 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.366 1.867 . . . . 0.0 111.861 -173.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.13 -36.49 84.44 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.486 -0.759 . . . . 0.0 113.036 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -156.35 172.41 18.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.232 1.413 . . . . 0.0 112.386 -172.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.02 -42.32 99.76 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.08 0.952 . . . . 0.0 113.026 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.51 -35.58 80.93 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.828 0.74 . . . . 0.0 112.203 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.53 89.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.939 0.896 . . . . 0.0 112.628 172.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.98 90.42 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.202 0.601 . . . . 0.0 112.347 175.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.33 -50.31 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.28 1.032 . . . . 0.0 110.482 171.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.1 m -59.73 -38.85 82.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.73 1.212 . . . . 0.0 112.409 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.16 -43.02 87.2 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.068 -1.02 . . . . 0.0 111.998 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -80.64 6.22 13.29 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.1 mtt -96.93 -37.77 10.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.507 1.123 . . . . 0.0 109.846 166.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -74.52 -29.24 61.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.631 1.172 . . . . 0.0 113.024 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -129.28 159.41 36.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.231 1.812 . . . . 0.0 111.536 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -75.88 145.84 40.22 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.959 -1.088 . . . . 0.0 111.5 174.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.68 -64.82 1.09 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.762 1.225 . . . . 0.0 110.863 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -139.93 -51.52 0.5 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.47 1.108 . . . . 0.0 111.726 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -111.84 -34.51 5.99 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.104 1.362 . . . . 0.0 111.622 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 t -154.19 -174.95 5.17 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.864 1.266 . . . . 0.0 112.063 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 61.6 p -85.81 169.29 13.5 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.524 1.529 . . . . 0.0 113.025 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.7 mt -76.07 134.43 40.06 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.412 1.485 . . . . 0.0 108.964 168.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -126.95 -37.81 2.08 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -169.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -152.37 146.44 18.38 Favored Pre-proline 0 N--CA 1.474 0.73 0 CA-C-N 118.933 0.788 . . . . 0.0 112.821 172.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.6 147.19 50.91 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.35 2.033 . . . . 0.0 111.341 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 tp . . . . . 0 CA--C 1.547 0.831 0 O-C-N 121.663 -0.648 . . . . 0.0 110.317 169.109 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.924 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -63.95 -28.18 66.66 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.961 2.441 . . . . 0.0 113.506 -173.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -74.73 -10.63 59.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.792 1.237 . . . . 0.0 114.282 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -85.77 131.73 34.26 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.392 1.451 . . . . 0.0 111.711 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -123.13 8.45 9.21 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.61 1.564 . . . . 0.0 114.409 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.08 -145.4 42.94 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 120.757 -1.214 . . . . 0.0 113.575 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.92 54.9 5.06 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 124.458 3.439 . . . . 0.0 113.159 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.55 143.35 48.33 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.687 1.195 . . . . 0.0 110.36 172.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -91.74 160.71 15.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.43 1.092 . . . . 0.0 111.941 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -50.72 -52.84 36.54 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.775 0.83 . . . . 0.0 112.688 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 m -58.18 -34.77 70.69 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -73.66 -42.39 61.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.396 1.078 . . . . 0.0 112.433 174.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.04 99.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.522 0.729 . . . . 0.0 111.971 174.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.29 -45.06 81.72 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.813 1.245 . . . . 0.0 111.811 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -64.52 -30.01 71.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.963 0.801 . . . . 0.0 112.935 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -73.67 -50.51 20.58 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.267 0.627 . . . . 0.0 111.583 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.3 -28.01 53.16 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -174.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.5 tp -64.77 -24.36 67.53 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.322 0.965 . . . . 0.0 112.331 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -91.04 -10.91 40.44 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.499 1.52 . . . . 0.0 113.812 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.5 mmm -97.35 161.68 25.23 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.525 1.53 . . . . 0.0 113.041 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.76 163.56 30.13 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.287 2.658 . . . . 0.0 112.382 170.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.32 143.96 51.7 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.602 1.161 . . . . 0.0 112.717 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.37 9.56 86.84 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.198 0.904 . . . . 0.0 114.431 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.6 m -77.17 128.75 34.94 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.405 1.103 . . . . 0.0 109.537 169.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -135.24 160.09 39.48 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -146.42 158.5 43.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.269 1.427 . . . . 0.0 110.602 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 t -123.8 137.68 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 124.565 1.146 . . . . 0.0 109.644 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -137.51 156.13 48.48 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.223 1.409 . . . . 0.0 111.73 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.07 134.5 55.07 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.12 0.568 . . . . 0.0 109.62 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -167.806 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 . . . . . 0 CA--C 1.54 0.594 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -126.51 167.66 15.32 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -169.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.07 128.29 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.865 1.266 . . . . 0.0 109.867 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.5 tp -88.66 122.72 32.4 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.482 1.513 . . . . 0.0 107.9 169.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 m -112.1 137.4 50.21 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.281 0.632 . . . . 0.0 109.756 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.5 t -139.88 143.23 36.61 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.047 0.939 . . . . 0.0 112.087 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 p -80.38 112.84 18.1 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.194 -0.941 . . . . 0.0 109.351 170.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.52 136.98 38.16 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.619 1.168 . . . . 0.0 112.656 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 55.32 33.08 19.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.368 1.467 . . . . 0.0 113.958 172.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.04 7.75 86.74 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.667 1.127 . . . . 0.0 115.194 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 -170.45 2.45 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.965 2.106 . . . . 0.0 111.094 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.6 t -119.7 135.95 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.115 0.966 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.1 p -117.22 158.1 24.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.577 1.951 . . . . 0.0 111.316 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -139.73 136.6 34.34 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.085 1.354 . . . . 0.0 111.243 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -138.19 124.26 20.23 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.167 1.387 . . . . 0.0 111.541 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -78.57 138.17 38.24 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.411 0.684 . . . . 0.0 112.533 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -118.93 100.81 7.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.495 2.318 . . . . 0.0 107.638 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.6 m -94.03 139.88 30.4 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.352 1.061 . . . . 0.0 111.71 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.07 122.21 29.77 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.689 -0.632 . . . . 0.0 111.824 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -131.23 119.79 22.32 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.136 1.374 . . . . 0.0 109.937 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 51.38 30.44 6.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.089 1.355 . . . . 0.0 113.675 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.74 0.38 87.83 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.709 1.623 . . . . 0.0 115.427 -176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -101.77 160.83 14.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.315 1.846 . . . . 0.0 111.562 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.4 mm -98.78 111.83 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.661 1.584 . . . . 0.0 111.678 -169.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -96.86 121.96 39.3 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.615 1.966 . . . . 0.0 110.281 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 tt -141.31 125.67 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.606 1.162 . . . . 0.0 110.355 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.1 t0 45.86 -112.57 0.36 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.478 1.511 . . . . 0.0 112.833 -172.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.5 p -97.5 -1.74 43.43 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.222 1.409 . . . . 0.0 114.108 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -95.95 168.3 10.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.905 1.682 . . . . 0.0 112.257 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 tp -145.79 128.36 16.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.576 1.55 . . . . 0.0 108.904 169.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -125.86 153.89 43.47 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.462 1.505 . . . . 0.0 111.366 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.97 -35.54 80.87 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -157.35 172.36 18.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.645 1.578 . . . . 0.0 111.516 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.48 -41.73 98.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.807 0.843 . . . . 0.0 112.985 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.87 -35.32 80.24 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.407 -0.808 . . . . 0.0 112.205 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.62 93.69 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.791 0.836 . . . . 0.0 112.59 171.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.01 82.82 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.166 0.586 . . . . 0.0 111.997 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.4 mm -57.78 -49.1 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.035 0.934 . . . . 0.0 110.558 173.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.1 m -60.72 -41.66 95.74 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.584 1.154 . . . . 0.0 112.168 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.43 -43.65 93.05 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.088 -1.007 . . . . 0.0 111.66 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -78.08 3.32 15.24 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.1 mtt -95.05 -38.64 10.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.503 1.121 . . . . 0.0 110.032 166.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -74.46 -28.79 61.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.562 1.145 . . . . 0.0 113.038 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -130.02 157.5 42.19 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.258 1.823 . . . . 0.0 111.289 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -74.38 144.49 44.37 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.061 -1.025 . . . . 0.0 111.592 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -82.6 -64.66 1.13 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.699 1.2 . . . . 0.0 110.867 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -139.72 -55.22 0.56 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.678 1.191 . . . . 0.0 111.588 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -104.64 -35.68 7.73 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.004 1.322 . . . . 0.0 111.569 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 t -153.83 178.4 9.95 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.499 1.119 . . . . 0.0 112.636 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.5 p -80.98 164.54 22.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.653 1.581 . . . . 0.0 112.995 171.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.4 mt -73.14 138.69 45.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.39 1.476 . . . . 0.0 109.439 168.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -130.78 -39.94 1.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -170.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -150.02 144.42 17.6 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 118.794 0.725 . . . . 0.0 112.938 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.46 149.23 55.84 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.405 2.07 . . . . 0.0 111.164 172.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.3 tp . . . . . 0 CA--C 1.546 0.82 0 O-C-N 121.556 -0.715 . . . . 0.0 110.522 169.391 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.914 0 CA-C-O 119.358 -0.353 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.83 -23.71 41.17 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.062 2.508 . . . . 0.0 113.336 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -86.91 -5.81 58.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.609 1.563 . . . . 0.0 114.406 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -89.13 130.49 35.56 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.553 1.524 . . . . 0.0 112.479 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -121.16 8.57 10.36 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.262 1.425 . . . . 0.0 114.284 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.74 -145.24 46.59 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 120.939 -1.1 . . . . 0.0 113.101 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -77.8 55.26 5.17 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 124.417 3.412 . . . . 0.0 113.047 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -72.83 141.72 48.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.633 1.173 . . . . 0.0 110.572 174.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.2 m -88.2 160.3 17.78 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.036 0.935 . . . . 0.0 112.367 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -50.8 -54.05 26.83 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.833 0.853 . . . . 0.0 112.559 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -58.42 -36.18 73.23 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -175.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -70.59 -43.73 68.77 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.125 0.97 . . . . 0.0 112.357 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.74 99.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.501 0.72 . . . . 0.0 112.072 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -67.3 -44.78 78.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.755 1.222 . . . . 0.0 111.99 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -65.93 -33.61 76.23 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.236 0.925 . . . . 0.0 112.35 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.2 m -67.43 -47.55 69.87 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.449 0.568 . . . . 0.0 111.917 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.01 -26.92 43.23 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -64.91 -27.13 68.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.505 1.048 . . . . 0.0 112.292 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -85.65 -11.94 52.59 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.099 1.359 . . . . 0.0 113.665 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.0 mmm -99.48 162.02 22.65 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 125.995 1.718 . . . . 0.0 112.508 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.97 163.03 39.94 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.778 2.319 . . . . 0.0 112.114 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.52 138.17 52.23 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.502 1.121 . . . . 0.0 112.253 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.42 4.24 77.22 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.777 1.18 . . . . 0.0 115.273 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.4 m -76.18 129.78 37.26 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.892 0.877 . . . . 0.0 109.291 169.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -134.29 162.6 31.72 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -175.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -148.16 159.3 44.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.373 1.469 . . . . 0.0 111.002 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -122.88 137.61 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.671 1.188 . . . . 0.0 109.856 170.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ptt85 -136.79 153.91 50.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.213 1.405 . . . . 0.0 111.671 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.67 134.79 53.99 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.323 0.649 . . . . 0.0 109.628 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 t . . . . . 0 N--CA 1.466 0.331 0 CA-C-O 122.266 1.032 . . . . 0.0 113.592 -169.206 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -121.33 169.78 10.26 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.205 -0.934 . . . . 0.0 112.292 -175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.9 t -137.38 128.03 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.811 1.244 . . . . 0.0 109.92 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 tp -87.92 120.99 29.8 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.781 1.632 . . . . 0.0 108.014 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 m -112.43 136.15 52.27 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.688 0.795 . . . . 0.0 109.745 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 t -140.35 142.99 35.52 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.017 0.927 . . . . 0.0 111.848 -174.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 p -78.96 113.43 17.07 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.008 -1.058 . . . . 0.0 109.014 170.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -140.81 141.3 34.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.149 0.979 . . . . 0.0 112.471 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 56.58 34.48 24.5 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.929 1.292 . . . . 0.0 113.789 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.96 7.86 71.84 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.32 0.962 . . . . 0.0 115.044 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -130.68 -169.28 2.12 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.286 2.235 . . . . 0.0 110.887 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -121.57 133.99 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.412 1.085 . . . . 0.0 110.044 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.5 p -114.05 156.74 23.58 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.505 1.922 . . . . 0.0 111.082 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -138.71 136.06 35.41 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.895 1.278 . . . . 0.0 111.182 -177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -138.55 123.47 18.89 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.27 1.428 . . . . 0.0 110.727 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -81.4 136.0 35.68 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.34 -0.85 . . . . 0.0 112.25 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -108.39 94.3 4.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.679 2.391 . . . . 0.0 107.401 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.5 m -86.24 135.54 33.52 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 124.949 1.3 . . . . 0.0 111.544 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.43 122.86 25.12 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.398 0.679 . . . . 0.0 110.748 172.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -132.65 104.22 6.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.043 1.737 . . . . 0.0 109.081 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 51.54 31.75 8.02 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.992 1.317 . . . . 0.0 113.998 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.17 -1.82 87.61 Favored Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.922 1.725 . . . . 0.0 115.44 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -101.7 170.01 8.45 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.215 1.806 . . . . 0.0 111.367 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.0 mm -104.79 116.83 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.017 1.327 . . . . 0.0 111.272 -170.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -103.03 128.39 49.9 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.622 1.569 . . . . 0.0 109.995 171.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 tt -139.29 127.0 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.956 1.302 . . . . 0.0 110.302 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.6 t70 55.51 -88.98 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.001 1.72 . . . . 0.0 111.854 -167.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.7 p -126.71 -12.81 5.99 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.606 1.563 . . . . 0.0 113.167 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -81.17 137.47 35.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.767 1.627 . . . . 0.0 111.192 -174.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.9 tp -109.39 134.1 52.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.009 1.324 . . . . 0.0 111.18 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -133.49 155.42 49.59 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 126.591 1.956 . . . . 0.0 111.096 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.99 -35.84 81.67 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -156.65 172.41 18.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.537 1.535 . . . . 0.0 111.709 -173.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.22 -42.89 99.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.735 0.814 . . . . 0.0 112.897 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.08 -35.25 80.15 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.564 -0.71 . . . . 0.0 112.377 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.11 91.34 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.58 0.752 . . . . 0.0 112.707 171.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.91 86.05 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.125 0.57 . . . . 0.0 112.17 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.25 -50.29 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.918 0.887 . . . . 0.0 110.389 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.5 m -59.11 -39.0 80.94 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.797 1.239 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -60.52 -46.06 91.53 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.148 -0.97 . . . . 0.0 111.756 173.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -78.37 -5.32 51.93 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.4 mmt -78.86 -37.21 40.9 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.889 -1.132 . . . . 0.0 109.901 166.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -82.74 -37.89 24.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.018 1.327 . . . . 0.0 112.666 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -117.98 150.78 38.68 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.731 1.612 . . . . 0.0 111.952 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.48 138.4 55.19 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.081 -1.012 . . . . 0.0 111.505 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.82 -62.53 1.66 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.751 1.22 . . . . 0.0 110.651 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -142.95 -52.44 0.38 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.643 1.177 . . . . 0.0 111.54 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -110.08 -31.91 7.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.111 1.364 . . . . 0.0 111.857 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -152.49 173.97 14.48 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.757 1.223 . . . . 0.0 112.419 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.9 p -85.12 160.79 19.87 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.77 1.228 . . . . 0.0 111.618 169.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.61 138.0 58.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.357 1.063 . . . . 0.0 110.399 173.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -117.48 -45.18 2.72 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.893 0.877 . . . . 0.0 112.882 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -155.71 147.98 17.56 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 123.799 0.839 . . . . 0.0 113.256 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -70.31 148.03 60.6 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.446 2.097 . . . . 0.0 111.086 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.2 tp . . . . . 0 CA--C 1.542 0.655 0 O-C-N 121.619 -0.676 . . . . 0.0 110.232 169.761 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.958 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.16 -22.39 40.86 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.703 2.269 . . . . 0.0 112.893 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -94.69 -7.02 41.92 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.745 1.618 . . . . 0.0 114.776 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -89.08 132.83 34.61 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.42 1.464 . . . . 0.0 112.514 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -122.51 3.86 9.63 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.514 1.526 . . . . 0.0 114.422 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.74 -139.59 37.09 Favored Glycine 0 CA--C 1.538 1.516 0 CA-C-O 118.563 -1.132 . . . . 0.0 113.261 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -77.39 48.92 2.7 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 124.826 3.684 . . . . 0.0 113.809 -174.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.45 142.29 48.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.007 1.323 . . . . 0.0 110.457 174.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -95.06 169.53 10.05 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.722 0.809 . . . . 0.0 112.126 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -54.54 -52.27 62.59 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.76 0.824 . . . . 0.0 112.123 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 m -58.9 -36.31 74.49 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.358 0.526 . . . . 0.0 112.356 -175.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -71.75 -42.99 66.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.072 0.949 . . . . 0.0 112.162 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.08 99.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.611 0.764 . . . . 0.0 112.124 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.68 -47.71 80.1 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.378 1.471 . . . . 0.0 111.635 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.57 -33.2 75.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.874 0.761 . . . . 0.0 112.351 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -70.24 -48.61 56.15 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.462 0.574 . . . . 0.0 112.236 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mp -79.52 -25.91 41.63 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.63 -26.39 67.04 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.601 1.091 . . . . 0.0 112.208 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.49 -13.0 53.19 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.155 1.382 . . . . 0.0 113.467 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mmm -98.18 162.12 23.12 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 126.105 1.762 . . . . 0.0 112.522 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -71.4 163.93 37.42 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.884 2.389 . . . . 0.0 112.06 171.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.44 140.49 50.33 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.904 1.282 . . . . 0.0 112.255 174.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.11 2.54 80.45 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.077 1.322 . . . . 0.0 115.272 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.4 m -77.62 132.7 38.38 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.357 1.079 . . . . 0.0 110.061 169.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.72 161.94 34.56 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.45 160.61 42.39 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.272 1.429 . . . . 0.0 111.325 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.6 t -123.44 138.32 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.594 1.158 . . . . 0.0 110.037 170.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -137.76 155.01 49.51 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.348 1.459 . . . . 0.0 111.609 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.4 134.29 56.24 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.637 0.775 . . . . 0.0 109.641 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 122.46 1.124 . . . . 0.0 113.891 -168.881 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 110.07 -0.345 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -127.77 167.76 16.06 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.174 -0.954 . . . . 0.0 112.622 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.2 t -136.42 129.64 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.809 1.244 . . . . 0.0 109.855 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.9 tp -90.4 124.73 35.19 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.048 1.739 . . . . 0.0 107.733 169.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.6 m -118.68 135.77 54.29 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.744 0.818 . . . . 0.0 110.267 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 65.6 m -138.83 138.41 37.49 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.35 1.06 . . . . 0.0 112.385 -170.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 p -78.26 106.77 10.4 Favored 'General case' 0 CA--C 1.527 0.071 0 C-N-CA 123.856 0.862 . . . . 0.0 108.968 169.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -143.17 149.41 37.99 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.05 0.94 . . . . 0.0 112.949 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 56.84 32.68 21.81 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.269 1.428 . . . . 0.0 113.832 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.92 11.22 78.43 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.604 1.097 . . . . 0.0 114.969 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -136.74 -170.13 2.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.317 2.247 . . . . 0.0 110.798 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.82 139.88 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.463 1.105 . . . . 0.0 109.718 171.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.9 p -127.98 156.91 41.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.818 1.647 . . . . 0.0 111.066 -172.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -137.6 140.71 41.11 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.755 1.222 . . . . 0.0 111.707 -174.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -140.31 125.3 18.45 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.726 1.61 . . . . 0.0 110.415 -174.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -81.29 135.78 35.74 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.493 -0.754 . . . . 0.0 112.672 -173.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mt -111.79 95.99 5.81 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.249 2.219 . . . . 0.0 107.607 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.7 m -91.5 136.01 33.43 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.648 1.179 . . . . 0.0 111.726 -173.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.2 129.35 34.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.483 0.713 . . . . 0.0 112.338 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -133.15 107.72 8.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.368 1.467 . . . . 0.0 109.94 170.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 51.83 30.41 7.0 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.833 1.253 . . . . 0.0 114.111 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.0 -9.29 77.39 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 126.177 1.846 . . . . 0.0 115.383 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.11 159.52 22.07 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.876 1.338 . . . . 0.0 111.524 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mm -108.15 112.08 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 126.067 1.747 . . . . 0.0 110.575 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -96.54 127.96 43.02 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.031 1.732 . . . . 0.0 109.976 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.9 tt -144.22 127.81 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.151 0.98 . . . . 0.0 111.668 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 55.59 -75.23 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.777 2.431 . . . . 0.0 114.701 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 t -142.05 -2.75 1.13 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.52 1.928 . . . . 0.0 112.84 175.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -100.01 150.67 22.2 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.635 1.974 . . . . 0.0 110.934 -174.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.0 tp -128.03 131.68 49.16 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.439 1.496 . . . . 0.0 110.654 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -131.38 157.48 43.29 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.672 1.589 . . . . 0.0 112.19 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.28 -35.77 82.05 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -157.44 173.05 17.5 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.53 1.532 . . . . 0.0 112.206 -173.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.86 -43.52 98.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.143 0.977 . . . . 0.0 113.095 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.39 -34.99 78.94 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.392 -0.817 . . . . 0.0 112.337 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.48 89.97 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.831 0.853 . . . . 0.0 112.603 172.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.99 81.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.279 0.631 . . . . 0.0 112.088 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.8 mm -57.57 -50.57 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.13 0.972 . . . . 0.0 110.498 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.1 m -60.64 -42.02 96.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.583 1.153 . . . . 0.0 112.178 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -58.84 -43.23 90.68 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.177 -0.952 . . . . 0.0 111.706 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -77.87 4.37 12.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 55.2 mtt -96.71 -36.06 10.8 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.5 1.12 . . . . 0.0 110.188 166.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.61 -28.89 56.3 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.261 1.024 . . . . 0.0 113.076 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -131.1 159.48 37.5 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.37 1.868 . . . . 0.0 111.558 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -73.7 144.11 45.91 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.049 -1.032 . . . . 0.0 111.751 175.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tt -83.01 -63.41 1.37 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.675 1.19 . . . . 0.0 110.618 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -144.51 -65.57 0.35 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.317 1.447 . . . . 0.0 110.338 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -89.78 -35.11 15.9 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.273 1.029 . . . . 0.0 112.809 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -158.97 -176.59 5.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.811 1.644 . . . . 0.0 111.141 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 p -89.87 159.52 16.93 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.634 1.574 . . . . 0.0 112.143 169.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.8 mt -66.33 137.88 57.22 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.065 1.346 . . . . 0.0 110.92 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -113.88 -46.88 2.99 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -152.22 145.73 17.81 Favored Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.79 141.8 31.05 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.837 2.358 . . . . 0.0 111.56 173.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.0 tp . . . . . 0 CA--C 1.54 0.593 0 O-C-N 121.624 -0.673 . . . . 0.0 109.435 168.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.32 -22.65 52.68 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.18 2.587 . . . . 0.0 113.767 -171.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -83.51 -7.5 59.52 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.318 1.447 . . . . 0.0 114.461 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -88.62 131.0 35.15 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.62 1.555 . . . . 0.0 112.56 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -122.85 8.29 9.37 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.408 1.483 . . . . 0.0 114.618 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.82 -142.04 39.31 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 120.74 -1.225 . . . . 0.0 113.574 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -77.6 51.51 3.59 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 124.811 3.674 . . . . 0.0 113.415 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.36 141.16 48.76 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.056 1.343 . . . . 0.0 110.697 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.2 p -83.61 167.67 17.08 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.624 -0.672 . . . . 0.0 112.352 174.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -57.23 -50.92 71.36 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.758 -0.589 . . . . 0.0 110.797 168.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -57.87 -40.45 80.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.696 0.798 . . . . 0.0 112.371 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -67.85 -42.88 80.66 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.359 0.664 . . . . 0.0 112.17 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.18 99.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.517 0.727 . . . . 0.0 112.151 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.48 -45.08 85.05 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.496 1.118 . . . . 0.0 112.019 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -64.96 -33.1 75.23 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.94 0.791 . . . . 0.0 112.299 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -70.61 -50.45 36.92 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.239 0.616 . . . . 0.0 111.934 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 46' ' ' CYS . 7.0 mp -77.43 -21.73 52.58 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -175.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.1 tp -70.45 -28.29 64.9 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.399 1.0 . . . . 0.0 112.249 171.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -79.1 -32.98 44.81 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.304 1.042 . . . . 0.0 112.498 173.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.6 mmm -78.63 161.48 69.24 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 125.51 1.524 . . . . 0.0 113.117 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.67 162.29 40.0 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.217 2.611 . . . . 0.0 112.236 173.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -57.37 132.86 54.35 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.955 1.302 . . . . 0.0 112.14 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.31 0.19 59.77 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.426 1.489 . . . . 0.0 114.475 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 m -74.9 131.9 41.06 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.825 0.85 . . . . 0.0 109.33 169.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -136.56 162.16 33.88 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -148.79 158.75 44.38 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.943 1.297 . . . . 0.0 111.054 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.6 t -122.9 138.85 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.786 1.234 . . . . 0.0 109.915 170.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -139.27 155.86 47.45 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.215 1.406 . . . . 0.0 111.77 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.97 135.31 57.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.484 0.714 . . . . 0.0 109.699 169.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.466 0.331 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -168.632 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -126.74 167.97 15.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.104 0.961 . . . . 0.0 112.273 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -138.43 130.95 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.759 1.224 . . . . 0.0 110.03 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.6 tp -92.09 121.11 33.33 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.426 1.89 . . . . 0.0 108.31 170.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -113.08 134.98 54.28 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.677 0.791 . . . . 0.0 110.027 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.4 ' C ' HD23 ' A' ' 22' ' ' LEU . 77.4 m -136.55 142.68 43.43 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.546 1.138 . . . . 0.0 112.481 -172.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.9 p -81.8 112.39 18.9 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.304 -0.873 . . . . 0.0 108.784 169.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -138.53 134.86 34.44 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.131 0.973 . . . . 0.0 112.558 -174.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.5 t30 52.63 37.58 23.76 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.395 1.478 . . . . 0.0 113.851 170.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.5 7.16 78.43 Favored Glycine 0 CA--C 1.541 1.682 0 N-CA-C 115.565 0.986 . . . . 0.0 115.565 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -127.48 -172.26 2.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.041 2.137 . . . . 0.0 110.96 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -120.51 135.1 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.459 1.104 . . . . 0.0 110.066 173.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 p -117.88 157.77 26.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.622 1.969 . . . . 0.0 111.192 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -138.0 136.53 37.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.963 1.305 . . . . 0.0 111.1 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -136.7 126.26 25.27 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.446 1.498 . . . . 0.0 111.021 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.95 128.14 33.11 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.549 -0.719 . . . . 0.0 111.644 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.3 87.08 2.95 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.216 2.206 . . . . 0.0 107.286 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 m -82.65 139.41 33.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 125.12 1.368 . . . . 0.0 111.733 -174.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.2 127.9 32.95 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.176 0.591 . . . . 0.0 111.223 173.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -139.73 108.08 5.82 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.489 1.516 . . . . 0.0 109.726 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 53.26 30.65 10.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.888 1.275 . . . . 0.0 113.962 -175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.93 -0.53 89.65 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.954 1.74 . . . . 0.0 115.306 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -102.76 173.93 6.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.675 1.99 . . . . 0.0 111.143 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.4 mm -107.11 119.53 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.151 1.381 . . . . 0.0 111.239 -171.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -105.14 129.47 53.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.722 1.609 . . . . 0.0 109.941 171.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.19 125.51 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.006 1.322 . . . . 0.0 109.778 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 53.36 -101.58 0.12 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.011 1.324 . . . . 0.0 111.174 -167.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.0 p -109.96 -15.17 14.13 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.998 1.319 . . . . 0.0 113.783 170.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -80.94 134.23 35.68 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.546 1.538 . . . . 0.0 111.417 -172.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.7 tp -105.76 134.25 49.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.671 1.188 . . . . 0.0 110.806 170.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -131.92 154.67 49.02 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.736 2.014 . . . . 0.0 110.872 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.64 -36.08 82.67 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -156.42 172.16 18.99 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.506 1.522 . . . . 0.0 111.658 -173.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.34 -43.29 99.12 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.775 0.83 . . . . 0.0 112.949 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -63.82 -35.6 81.17 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.634 -0.666 . . . . 0.0 112.334 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.34 93.34 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.704 0.802 . . . . 0.0 112.602 172.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.53 87.41 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.237 0.615 . . . . 0.0 112.154 176.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.61 -49.08 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.09 0.956 . . . . 0.0 110.452 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.1 m -59.35 -41.16 88.55 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.433 1.093 . . . . 0.0 112.242 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.11 -43.98 91.96 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.118 -0.989 . . . . 0.0 111.789 175.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -79.57 2.34 22.62 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 51.7 mtt -92.14 -37.5 12.7 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.26 1.024 . . . . 0.0 109.895 166.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -76.55 -28.94 56.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.602 1.161 . . . . 0.0 113.115 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.85 156.54 44.2 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.09 1.756 . . . . 0.0 111.622 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.73 144.67 47.56 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.948 -1.095 . . . . 0.0 111.656 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tt -83.19 -62.55 1.56 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.755 1.222 . . . . 0.0 110.866 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -144.0 -54.57 0.36 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.234 1.014 . . . . 0.0 111.687 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.59 -30.92 7.17 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.507 1.523 . . . . 0.0 111.913 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -149.35 176.01 10.93 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.053 1.341 . . . . 0.0 112.26 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.3 p -89.92 167.44 12.81 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.235 1.414 . . . . 0.0 111.787 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 mt -72.66 124.37 25.15 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.324 1.05 . . . . 0.0 109.783 170.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -110.07 -42.55 4.16 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.087 0.955 . . . . 0.0 112.948 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -155.31 146.88 16.93 Favored Pre-proline 0 N--CA 1.472 0.669 0 C-N-CA 123.775 0.83 . . . . 0.0 113.102 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -70.48 145.93 54.36 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.472 2.115 . . . . 0.0 110.927 170.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 tp . . . . . 0 CA--C 1.542 0.642 0 O-C-N 121.559 -0.713 . . . . 0.0 110.381 169.805 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.898 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -67.22 -16.76 49.37 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.174 2.583 . . . . 0.0 113.667 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -96.59 -3.07 43.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.369 1.867 . . . . 0.0 114.195 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -90.48 130.68 36.51 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 120.273 1.397 . . . . 0.0 112.941 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -118.83 -0.0 11.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.406 1.483 . . . . 0.0 114.729 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.41 -139.44 35.53 Favored Glycine 0 CA--C 1.54 1.649 0 CA-C-O 118.308 -1.273 . . . . 0.0 113.419 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -65.21 32.48 0.1 Allowed 'Trans proline' 0 CA--C 1.552 1.375 1 C-N-CA 125.848 4.366 . . . . 0.0 117.947 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.13 137.95 56.7 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.161 1.385 . . . . 0.0 111.264 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -94.1 173.36 7.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.083 0.953 . . . . 0.0 112.371 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -54.5 -55.98 23.51 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.984 0.914 . . . . 0.0 111.88 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 m -59.37 -35.43 73.9 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -173.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -69.98 -41.03 74.98 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.9 0.88 . . . . 0.0 112.51 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.92 84.03 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.722 0.809 . . . . 0.0 112.034 173.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -64.68 -47.33 78.77 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.472 1.509 . . . . 0.0 111.763 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -66.79 -16.92 64.6 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.1 m -86.88 -54.37 4.39 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.178 0.991 . . . . 0.0 111.743 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.68 -24.08 61.77 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -175.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.0 -27.07 67.85 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.252 0.933 . . . . 0.0 112.584 172.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -86.14 -22.57 26.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.924 1.29 . . . . 0.0 112.823 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.0 mmm -86.13 161.19 50.19 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 125.985 1.714 . . . . 0.0 112.36 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.23 162.44 41.63 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 122.778 2.318 . . . . 0.0 111.817 172.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -54.4 141.43 30.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.734 1.214 . . . . 0.0 112.252 172.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.51 2.7 82.07 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.224 0.916 . . . . 0.0 114.859 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -79.5 131.17 35.97 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.375 1.087 . . . . 0.0 109.245 169.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -138.79 163.01 33.32 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -150.27 158.19 43.89 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.152 1.381 . . . . 0.0 110.995 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.0 t -122.78 138.41 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.496 1.119 . . . . 0.0 109.986 172.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -141.25 160.26 40.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.16 1.384 . . . . 0.0 112.05 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.99 139.52 58.41 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.379 1.071 . . . . 0.0 111.44 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -171.391 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 CA--C 1.544 0.713 0 CA-C-O 121.457 0.646 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -129.81 174.01 10.12 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.256 1.422 . . . . 0.0 111.785 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.37 127.96 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.808 1.243 . . . . 0.0 110.173 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.7 tp -89.6 123.33 33.57 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.651 1.58 . . . . 0.0 108.041 169.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -116.04 134.16 55.25 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.863 0.865 . . . . 0.0 110.062 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -137.41 144.15 42.25 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.399 1.08 . . . . 0.0 112.591 -170.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.5 p -81.79 115.1 20.85 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 168.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -143.03 136.22 28.19 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.693 1.197 . . . . 0.0 112.217 -174.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 t30 52.84 37.34 23.86 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.934 1.694 . . . . 0.0 113.989 172.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.1 7.93 72.71 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -130.03 -170.4 2.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.286 2.234 . . . . 0.0 110.791 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.15 136.81 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.541 1.136 . . . . 0.0 110.279 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.4 p -120.6 159.16 25.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.692 1.997 . . . . 0.0 111.371 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -140.21 138.13 34.87 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.977 1.311 . . . . 0.0 111.358 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -138.56 127.94 24.49 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.246 1.419 . . . . 0.0 111.895 -174.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -73.14 129.46 38.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.96 0.904 . . . . 0.0 111.431 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.48 97.24 7.1 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.526 1.931 . . . . 0.0 107.497 169.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.1 m -88.23 133.49 34.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.76 1.224 . . . . 0.0 111.359 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.92 125.22 28.94 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.794 -0.566 . . . . 0.0 110.59 172.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -137.24 108.32 6.76 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.636 1.574 . . . . 0.0 109.458 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.6 33.08 7.52 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.265 1.426 . . . . 0.0 114.699 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.86 88.58 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 125.965 1.745 . . . . 0.0 115.397 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -102.83 174.5 5.85 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.089 2.156 . . . . 0.0 111.103 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.3 mm -110.37 121.56 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.544 1.537 . . . . 0.0 111.056 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -105.33 130.49 53.44 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.959 1.704 . . . . 0.0 109.943 171.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.8 tt -139.28 126.8 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.745 1.218 . . . . 0.0 110.167 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.2 t70 55.37 -89.65 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.968 1.707 . . . . 0.0 111.878 -167.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.5 p -125.26 -13.43 6.7 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.442 1.497 . . . . 0.0 113.347 169.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -79.79 134.39 36.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.623 1.569 . . . . 0.0 111.041 -174.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.74 134.29 49.1 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.588 1.155 . . . . 0.0 111.103 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -132.39 155.33 48.65 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 127.065 2.146 . . . . 0.0 110.627 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.01 -35.2 79.91 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -156.74 172.66 18.22 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.347 1.459 . . . . 0.0 111.598 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.0 mt -60.77 -43.26 98.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.768 0.827 . . . . 0.0 112.733 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.01 -35.27 80.15 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.528 -0.733 . . . . 0.0 112.298 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.82 90.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.65 0.78 . . . . 0.0 112.627 172.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.53 85.18 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.493 0.588 . . . . 0.0 112.111 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.3 mm -59.04 -49.84 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.844 0.857 . . . . 0.0 110.292 172.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.6 m -59.25 -38.47 80.13 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.76 1.224 . . . . 0.0 112.422 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -61.45 -46.74 88.79 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.121 -0.987 . . . . 0.0 111.794 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.78 -6.33 51.82 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.4 mmt -75.86 -35.34 59.94 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.76 -1.212 . . . . 0.0 110.136 166.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -88.79 -29.02 20.07 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.996 1.318 . . . . 0.0 113.322 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.18 150.46 48.3 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.608 1.563 . . . . 0.0 112.002 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.53 138.66 55.33 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.006 -1.059 . . . . 0.0 111.503 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -79.79 -62.07 1.8 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.745 1.218 . . . . 0.0 110.579 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -144.25 -50.3 0.29 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.515 1.126 . . . . 0.0 111.543 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -111.48 -33.21 6.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.326 1.45 . . . . 0.0 111.658 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.0 t -152.53 175.03 13.19 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.813 1.245 . . . . 0.0 112.706 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.9 p -89.03 164.09 15.23 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.741 1.616 . . . . 0.0 112.381 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.8 mt -70.12 145.44 51.57 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.315 1.046 . . . . 0.0 110.75 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -128.65 -41.02 1.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -153.22 145.31 16.93 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.09 149.93 37.06 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.76 2.307 . . . . 0.0 111.709 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 166.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.888 0 CA-C-O 118.943 -0.551 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -59.76 -30.14 91.32 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.532 2.821 . . . . 0.0 114.413 -168.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -76.43 -9.34 58.57 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.717 1.376 . . . . 0.0 114.717 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -85.19 131.84 34.37 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.642 1.564 . . . . 0.0 112.527 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -122.66 7.92 9.47 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.382 1.473 . . . . 0.0 114.414 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.74 -145.92 46.03 Favored Glycine 0 CA--C 1.539 1.594 0 O-C-N 120.884 -1.135 . . . . 0.0 113.622 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -67.36 39.21 0.17 Allowed 'Trans proline' 0 CA--C 1.549 1.259 1 C-N-CA 125.598 4.199 . . . . 0.0 117.0 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.8 142.18 57.45 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.679 1.192 . . . . 0.0 111.15 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.3 m -96.23 163.71 12.98 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.49 1.116 . . . . 0.0 112.015 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -49.47 -55.72 12.24 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.102 0.961 . . . . 0.0 113.029 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -58.89 -34.37 71.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -72.01 -44.5 63.32 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.064 0.945 . . . . 0.0 112.122 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.3 99.12 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.696 0.798 . . . . 0.0 112.143 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.18 -41.74 94.3 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.657 1.183 . . . . 0.0 112.04 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -63.71 -31.71 72.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.335 0.971 . . . . 0.0 113.403 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.8 m -75.47 -53.79 8.09 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.923 0.783 . . . . 0.0 111.533 172.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -70.72 -24.18 62.6 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.9 tp -70.17 -26.74 64.05 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.133 0.879 . . . . 0.0 112.362 173.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -88.56 -25.29 22.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.006 1.322 . . . . 0.0 112.99 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.6 mmm -79.55 160.82 69.04 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.488 1.515 . . . . 0.0 112.924 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -72.04 163.3 39.21 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.291 2.661 . . . . 0.0 112.331 172.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.79 138.95 55.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.812 1.245 . . . . 0.0 112.509 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 2.13 76.81 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.734 1.159 . . . . 0.0 115.019 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.3 m -77.55 132.27 38.26 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.312 1.056 . . . . 0.0 109.333 169.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -139.38 161.63 36.99 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.6 158.93 44.22 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.973 1.309 . . . . 0.0 111.171 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.91 137.83 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.887 1.275 . . . . 0.0 109.751 172.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -136.26 154.02 51.02 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.239 1.416 . . . . 0.0 111.671 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.97 133.72 55.74 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 169.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.233 0.206 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -167.734 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 . . . . . 0 N--CA 1.471 0.606 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -128.39 168.15 15.98 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.315 -0.865 . . . . 0.0 112.499 -175.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -137.49 129.85 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.856 1.263 . . . . 0.0 109.832 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.1 tp -90.63 124.2 34.87 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 126.034 1.734 . . . . 0.0 108.161 170.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 m -114.75 134.08 55.39 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.032 0.933 . . . . 0.0 109.719 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -137.15 140.07 41.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.421 1.089 . . . . 0.0 112.355 -172.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 p -81.69 107.97 14.87 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.666 0.786 . . . . 0.0 109.253 169.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -141.4 147.64 38.32 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.26 1.024 . . . . 0.0 112.72 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 57.05 33.3 23.13 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.233 1.413 . . . . 0.0 113.692 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.75 8.26 67.47 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.503 1.049 . . . . 0.0 114.89 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -130.82 -168.58 2.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.874 2.07 . . . . 0.0 111.068 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.21 136.59 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.627 1.171 . . . . 0.0 109.79 173.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.9 p -126.79 158.69 35.93 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.556 1.543 . . . . 0.0 111.599 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -134.44 140.08 45.99 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.108 1.363 . . . . 0.0 111.599 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -138.98 125.61 20.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.398 1.479 . . . . 0.0 110.826 -173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -78.79 130.07 35.33 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.463 -0.773 . . . . 0.0 111.81 -175.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 mt -104.54 91.31 3.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.306 2.243 . . . . 0.0 107.407 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -85.66 136.42 33.38 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.889 1.275 . . . . 0.0 111.575 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.51 126.91 31.65 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.294 0.638 . . . . 0.0 110.899 173.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -137.8 101.9 4.58 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.328 1.451 . . . . 0.0 109.794 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 53.34 30.83 10.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.787 1.235 . . . . 0.0 113.876 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.64 -6.02 84.08 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 126.141 1.829 . . . . 0.0 115.384 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.22 168.47 11.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.899 1.68 . . . . 0.0 111.657 171.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.4 mm -106.29 117.46 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.786 1.634 . . . . 0.0 110.307 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -102.51 128.9 48.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.827 1.651 . . . . 0.0 109.921 172.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.4 tt -139.31 126.19 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.718 1.207 . . . . 0.0 110.202 175.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t70 54.89 -89.13 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.99 1.716 . . . . 0.0 112.055 -167.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.2 p -125.13 -13.59 6.74 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.549 1.539 . . . . 0.0 113.438 169.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -80.44 139.01 36.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.718 1.607 . . . . 0.0 111.102 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.5 tp -114.23 133.83 55.35 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.317 1.447 . . . . 0.0 111.174 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -133.36 156.34 47.81 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.09 1.756 . . . . 0.0 111.753 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -64.4 -36.66 84.87 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -157.05 173.0 17.68 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.404 1.481 . . . . 0.0 111.867 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -62.06 -43.6 98.48 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.921 0.888 . . . . 0.0 113.131 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.72 -34.67 78.4 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.464 -0.772 . . . . 0.0 112.241 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.04 89.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.87 0.868 . . . . 0.0 112.534 172.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.03 87.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.268 0.627 . . . . 0.0 112.128 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.6 mm -59.56 -50.61 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.993 0.917 . . . . 0.0 110.35 171.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.5 m -58.82 -38.9 79.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.924 1.289 . . . . 0.0 112.385 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -59.61 -45.02 93.17 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.177 -0.952 . . . . 0.0 111.77 173.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -78.99 -5.74 54.61 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.9 mmt -77.59 -37.14 51.08 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.843 -1.161 . . . . 0.0 109.905 166.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -85.97 -28.82 23.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.924 1.29 . . . . 0.0 113.476 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -128.48 146.72 50.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.441 1.496 . . . . 0.0 111.877 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.21 136.28 55.67 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.485 -0.76 . . . . 0.0 111.419 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 tt -78.36 -60.46 2.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.37 1.068 . . . . 0.0 110.96 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.05 -50.13 0.43 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.547 1.139 . . . . 0.0 111.317 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -116.39 -32.34 5.3 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.957 1.703 . . . . 0.0 111.799 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -154.56 175.41 13.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.925 1.29 . . . . 0.0 112.995 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.9 m -84.86 158.01 20.75 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.183 1.393 . . . . 0.0 112.048 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.38 146.57 50.94 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.644 1.177 . . . . 0.0 110.907 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -131.95 -41.29 1.03 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -153.8 143.67 15.34 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.58 142.93 41.23 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.615 2.21 . . . . 0.0 110.899 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 CA--C 1.545 0.754 0 O-C-N 121.584 -0.697 . . . . 0.0 109.822 168.727 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.873 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -63.5 -25.36 70.23 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 122.612 2.208 . . . . 0.0 112.985 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 -90.58 -9.26 47.75 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.664 1.586 . . . . 0.0 114.933 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -89.47 117.62 28.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.513 1.506 . . . . 0.0 112.563 -175.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -105.18 0.59 27.47 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.811 1.645 . . . . 0.0 113.978 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.25 -132.87 33.33 Favored Glycine 0 CA--C 1.537 1.417 0 CA-C-O 118.286 -1.285 . . . . 0.0 113.542 175.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -76.78 44.68 1.48 Allowed 'Trans proline' 0 CA--C 1.547 1.134 0 C-N-CA 124.757 3.638 . . . . 0.0 113.966 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.45 143.44 44.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.877 1.271 . . . . 0.0 110.616 173.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.6 m -96.19 162.27 13.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.747 1.219 . . . . 0.0 111.792 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -50.2 -52.97 31.25 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.816 0.846 . . . . 0.0 112.776 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 m -58.61 -34.54 71.24 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -175.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -74.07 -41.97 60.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.424 1.09 . . . . 0.0 112.451 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.61 98.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.591 0.756 . . . . 0.0 111.775 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.91 -44.4 80.82 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.897 1.279 . . . . 0.0 111.884 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -63.78 -28.8 70.12 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.108 0.867 . . . . 0.0 113.12 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 m -76.09 -53.68 7.96 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.34 0.656 . . . . 0.0 111.639 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 mp -74.06 -23.49 59.38 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 tp -70.7 -26.96 63.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.338 0.972 . . . . 0.0 112.408 172.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -86.85 -26.72 23.88 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.811 1.244 . . . . 0.0 112.953 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mmm -77.7 160.74 73.9 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.158 1.383 . . . . 0.0 112.767 174.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -70.97 164.43 35.76 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.154 2.569 . . . . 0.0 112.289 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.41 141.1 48.5 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.197 1.399 . . . . 0.0 112.64 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.85 2.88 86.16 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.159 1.361 . . . . 0.0 115.22 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -77.15 130.14 36.92 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.355 1.078 . . . . 0.0 109.974 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -135.04 161.77 34.37 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.58 160.63 42.43 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.295 1.438 . . . . 0.0 111.006 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.6 t -123.31 137.37 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.752 1.221 . . . . 0.0 109.796 171.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.0 ptt85 -136.88 160.39 39.03 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.94 1.296 . . . . 0.0 112.031 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.14 134.71 56.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.254 1.021 . . . . 0.0 110.556 169.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.469 0.486 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -169.16 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 . . . . . 0 CA--C 1.543 0.68 0 CA-C-O 121.267 0.556 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -126.77 169.92 12.7 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.175 1.39 . . . . 0.0 112.117 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.3 t -137.19 129.56 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.67 1.188 . . . . 0.0 109.885 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.3 tp -90.36 125.09 35.42 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 125.609 1.563 . . . . 0.0 107.676 169.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 m -115.17 139.03 50.27 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.563 0.745 . . . . 0.0 109.818 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 t -142.86 137.72 29.77 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.785 0.834 . . . . 0.0 111.826 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -76.52 109.27 10.12 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 124.035 0.934 . . . . 0.0 109.084 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -143.34 144.32 32.04 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.9 t30 54.43 39.57 31.11 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.101 1.76 . . . . 0.0 113.687 171.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.22 8.81 75.7 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.525 1.059 . . . . 0.0 115.255 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -135.13 -172.1 2.97 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.855 2.062 . . . . 0.0 111.203 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.9 t -116.28 138.15 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.562 1.145 . . . . 0.0 109.452 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.5 p -123.34 153.49 40.23 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.629 1.572 . . . . 0.0 110.88 -173.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -138.35 139.93 39.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.74 1.216 . . . . 0.0 111.647 -173.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -141.6 124.21 15.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.412 1.485 . . . . 0.0 110.751 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -78.24 135.68 37.63 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.266 -0.897 . . . . 0.0 112.17 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.6 mt -112.76 95.15 5.26 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.589 2.356 . . . . 0.0 107.502 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.1 m -91.14 144.05 26.04 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.396 1.079 . . . . 0.0 112.102 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.65 124.16 28.3 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.794 -0.566 . . . . 0.0 111.243 173.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -136.49 109.51 7.69 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.652 1.581 . . . . 0.0 109.441 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 52.96 30.3 9.14 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.02 1.328 . . . . 0.0 113.796 -171.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.91 -0.03 87.64 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.796 1.665 . . . . 0.0 115.267 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -101.07 167.1 10.45 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.321 1.848 . . . . 0.0 111.258 175.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.3 mm -97.0 108.4 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.165 1.386 . . . . 0.0 110.977 -170.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -96.85 128.64 44.01 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.932 1.693 . . . . 0.0 110.333 175.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 tt -143.86 114.28 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.303 1.041 . . . . 0.0 110.142 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 t0 49.0 -118.09 1.03 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.099 1.359 . . . . 0.0 112.483 -170.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 42.5 p -87.1 -2.51 58.68 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.176 1.391 . . . . 0.0 113.995 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -100.4 145.66 27.94 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.454 1.502 . . . . 0.0 111.547 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.4 tp -128.88 128.54 44.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.634 1.574 . . . . 0.0 109.604 170.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -125.62 153.79 43.26 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.125 1.77 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.53 -36.05 82.66 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -156.14 171.8 19.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.614 1.565 . . . . 0.0 111.627 -174.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.03 -41.98 99.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.85 0.86 . . . . 0.0 112.976 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.4 -36.04 82.4 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.586 -0.696 . . . . 0.0 112.239 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.4 93.88 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.842 0.857 . . . . 0.0 112.58 172.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.57 76.81 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.326 0.651 . . . . 0.0 111.917 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.3 mm -56.91 -49.43 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.144 0.978 . . . . 0.0 110.58 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.6 m -60.87 -42.72 98.46 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.759 1.223 . . . . 0.0 112.116 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -59.71 -43.76 93.99 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.233 -0.917 . . . . 0.0 111.522 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -76.95 -0.01 22.73 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.6 mtt -92.47 -37.75 12.35 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.533 1.133 . . . . 0.0 110.399 166.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.93 -33.66 59.86 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.7 1.2 . . . . 0.0 112.52 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -128.64 153.5 47.22 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.284 1.834 . . . . 0.0 111.457 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.4 140.45 57.17 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.41 -0.806 . . . . 0.0 111.647 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tt -79.25 -62.11 1.8 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.68 1.192 . . . . 0.0 110.506 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.03 -63.32 0.32 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.299 1.439 . . . . 0.0 110.644 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -92.31 -34.07 14.36 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.411 1.084 . . . . 0.0 112.79 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -160.05 -175.49 5.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.001 1.72 . . . . 0.0 111.056 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.4 m -86.62 155.39 20.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.585 1.554 . . . . 0.0 112.04 170.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.98 140.73 58.32 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.654 1.182 . . . . 0.0 110.682 169.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -118.29 -46.68 2.59 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -151.61 144.49 16.96 Favored Pre-proline 0 N--CA 1.475 0.793 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -73.9 140.89 29.36 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.999 2.466 . . . . 0.0 111.54 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.1 tp . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 123.548 0.739 . . . . 0.0 111.009 170.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.927 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -66.21 -23.42 52.45 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.998 2.465 . . . . 0.0 113.644 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -84.72 -7.16 59.32 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.335 1.454 . . . . 0.0 114.315 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -89.58 129.56 36.02 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.617 1.553 . . . . 0.0 112.284 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -122.74 9.89 9.57 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.091 1.356 . . . . 0.0 114.301 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.76 -142.47 43.72 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-O 118.66 -1.078 . . . . 0.0 113.288 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -77.64 54.89 4.97 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.429 3.42 . . . . 0.0 113.23 -176.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.88 136.7 43.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.632 1.173 . . . . 0.0 110.586 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.4 m -82.63 159.94 22.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.783 0.833 . . . . 0.0 112.051 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -50.94 -53.82 29.56 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.589 0.756 . . . . 0.0 112.388 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -58.2 -36.28 72.87 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.23 -43.8 69.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.143 0.977 . . . . 0.0 112.287 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.9 99.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.414 0.686 . . . . 0.0 112.017 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.97 -43.55 78.72 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.728 1.211 . . . . 0.0 112.358 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -65.77 -34.45 78.2 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.366 0.984 . . . . 0.0 112.107 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -67.52 -50.47 58.6 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.029 0.531 . . . . 0.0 111.794 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.68 -22.94 53.29 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -72.45 -28.15 62.75 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.301 0.955 . . . . 0.0 112.248 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -78.54 -33.09 48.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.348 1.059 . . . . 0.0 112.455 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.6 mmm -77.09 161.66 72.5 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.29 1.436 . . . . 0.0 113.103 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.46 164.16 36.43 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.207 2.605 . . . . 0.0 112.651 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -54.53 132.34 44.67 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.486 1.514 . . . . 0.0 112.266 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.41 3.32 65.01 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.413 1.482 . . . . 0.0 114.912 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.7 m -75.67 131.81 40.15 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.794 0.838 . . . . 0.0 109.736 169.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -133.93 161.84 33.67 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -148.24 160.73 42.65 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.975 1.31 . . . . 0.0 111.394 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.82 138.22 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 124.901 1.281 . . . . 0.0 109.988 171.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -138.67 155.3 48.39 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.501 1.52 . . . . 0.0 111.572 -176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.7 135.08 56.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.483 0.713 . . . . 0.0 109.808 169.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 N--CA 1.466 0.327 0 CA-C-O 122.184 0.992 . . . . 0.0 113.613 -168.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 120.985 0.421 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -122.82 167.7 13.19 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.493 1.117 . . . . 0.0 111.972 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.27 129.96 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.928 1.291 . . . . 0.0 109.825 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.7 tp -91.03 125.35 35.8 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 126.229 1.812 . . . . 0.0 108.058 169.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -115.15 138.91 50.37 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.919 0.887 . . . . 0.0 109.897 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.5 t -144.43 139.22 28.23 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.884 0.873 . . . . 0.0 112.402 -175.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 p -79.7 100.99 8.15 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.376 1.07 . . . . 0.0 110.494 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -138.56 154.16 48.72 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -177.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 56.65 30.45 17.47 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.46 1.504 . . . . 0.0 113.844 172.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.22 12.31 79.64 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.189 0.899 . . . . 0.0 114.77 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -136.13 -166.65 1.91 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.848 2.459 . . . . 0.0 110.255 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.76 138.77 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.363 1.065 . . . . 0.0 109.312 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.1 p -122.43 154.59 37.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.829 1.652 . . . . 0.0 111.115 -173.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -137.05 140.46 42.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.78 1.232 . . . . 0.0 111.726 -175.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -141.45 128.9 21.27 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.642 1.577 . . . . 0.0 110.476 -174.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -76.63 131.26 38.76 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.206 -0.934 . . . . 0.0 112.408 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 mt -103.92 89.82 3.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.246 2.218 . . . . 0.0 107.256 170.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.9 m -85.26 136.98 33.27 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.668 1.587 . . . . 0.0 111.937 -172.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.14 128.49 33.81 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.53 -0.731 . . . . 0.0 111.329 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -142.48 110.42 5.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.114 1.366 . . . . 0.0 110.141 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.62 32.56 6.95 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.254 1.422 . . . . 0.0 114.748 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.28 -2.64 88.05 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 126.033 1.778 . . . . 0.0 115.354 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.18 167.15 11.05 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.696 1.999 . . . . 0.0 111.792 173.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.7 mm -104.82 116.45 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.967 1.707 . . . . 0.0 110.307 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -98.18 139.38 34.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.582 1.553 . . . . 0.0 110.999 170.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 tt -152.59 129.36 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.979 0.912 . . . . 0.0 111.366 174.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 55.48 -75.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.69 2.396 . . . . 0.0 114.533 -172.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.7 t -140.81 -4.85 1.19 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.491 1.916 . . . . 0.0 112.957 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -96.3 157.28 15.97 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.619 1.968 . . . . 0.0 111.41 -174.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.8 tp -133.1 134.22 43.97 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.639 1.576 . . . . 0.0 110.688 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -135.14 156.37 49.11 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.017 1.727 . . . . 0.0 112.136 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.94 -36.37 83.74 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -156.7 172.83 17.91 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.379 1.472 . . . . 0.0 112.179 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.63 -43.15 99.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.134 0.974 . . . . 0.0 113.167 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.88 -35.02 79.28 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.531 -0.73 . . . . 0.0 112.401 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.87 91.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.826 0.85 . . . . 0.0 112.608 172.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.94 83.98 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.342 0.657 . . . . 0.0 112.164 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.56 -51.06 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.197 0.999 . . . . 0.0 110.484 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -60.07 -42.01 93.63 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.593 1.157 . . . . 0.0 112.172 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -58.0 -43.76 86.84 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.199 -0.938 . . . . 0.0 111.713 173.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -78.19 2.31 18.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.2 mtt -93.5 -35.65 12.83 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.25 1.02 . . . . 0.0 110.247 166.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.33 -28.8 47.37 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.348 1.059 . . . . 0.0 113.237 175.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -131.87 151.76 51.48 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.972 1.709 . . . . 0.0 111.638 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.87 140.2 56.54 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.535 -0.728 . . . . 0.0 111.669 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tt -81.27 -61.82 1.84 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.471 1.108 . . . . 0.0 110.731 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.4 -70.23 0.36 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.246 1.418 . . . . 0.0 110.322 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -90.61 -31.4 16.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.135 0.974 . . . . 0.0 113.135 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 t -158.23 -178.11 7.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.465 1.506 . . . . 0.0 111.578 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.7 m -85.84 157.06 20.31 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.592 1.557 . . . . 0.0 111.89 170.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.6 138.87 58.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.399 1.08 . . . . 0.0 110.647 169.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -114.46 -49.71 2.82 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -152.26 147.4 19.57 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -70.37 150.0 63.85 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.374 2.05 . . . . 0.0 111.175 171.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.9 tp . . . . . 0 CA--C 1.542 0.65 0 O-C-N 121.494 -0.754 . . . . 0.0 109.589 169.235 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.907 0 CA-C-O 119.202 -0.427 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -65.29 -23.01 59.75 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.097 2.532 . . . . 0.0 113.545 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -86.61 -5.93 59.0 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.655 1.582 . . . . 0.0 114.379 174.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -90.57 131.48 36.27 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.605 1.548 . . . . 0.0 112.673 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -124.19 10.75 8.74 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.384 1.474 . . . . 0.0 114.589 -175.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.1 -146.02 45.57 Favored Glycine 0 CA--C 1.539 1.558 0 O-C-N 120.682 -1.261 . . . . 0.0 113.944 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -66.99 37.32 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.207 1 C-N-CA 125.71 4.273 . . . . 0.0 117.095 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 tp -65.05 140.78 58.87 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.986 1.314 . . . . 0.0 110.961 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -93.86 170.61 9.43 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.854 0.862 . . . . 0.0 112.03 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -54.07 -53.82 47.92 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.913 0.885 . . . . 0.0 111.928 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -58.74 -37.18 75.62 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.087 0.555 . . . . 0.0 112.467 -173.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -69.57 -43.63 72.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.105 0.962 . . . . 0.0 112.239 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.71 97.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.535 0.734 . . . . 0.0 112.086 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -64.72 -45.58 85.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.14 1.376 . . . . 0.0 111.763 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.93 -34.12 77.39 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.036 0.835 . . . . 0.0 112.225 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.9 m -69.2 -49.12 59.5 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.081 0.552 . . . . 0.0 112.048 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.96 -23.35 44.63 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.9 tp -70.56 -27.1 63.88 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.482 1.037 . . . . 0.0 112.167 171.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -78.53 -33.04 48.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.504 1.121 . . . . 0.0 112.611 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.4 mmm -78.06 161.73 69.78 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.45 1.5 . . . . 0.0 113.114 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.83 163.57 38.05 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.259 2.639 . . . . 0.0 112.531 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -54.46 132.77 45.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.372 1.469 . . . . 0.0 112.08 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.31 2.24 64.01 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.088 1.328 . . . . 0.0 114.937 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.6 m -75.65 134.23 40.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.835 0.854 . . . . 0.0 109.597 169.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -137.25 162.62 33.02 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -148.26 159.53 43.89 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.074 1.35 . . . . 0.0 111.341 174.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.0 139.72 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 124.776 1.231 . . . . 0.0 109.936 170.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -139.46 154.71 47.8 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.311 1.444 . . . . 0.0 111.718 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.72 133.94 55.56 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 168.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.5 t . . . . . 0 C--O 1.234 0.274 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 -167.441 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -126.87 165.96 18.37 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.179 -0.951 . . . . 0.0 112.681 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -137.47 130.33 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.977 1.311 . . . . 0.0 109.818 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HB2' HD11 ' A' ' 57' ' ' LEU . 43.8 tp -92.16 124.23 36.09 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 126.076 1.75 . . . . 0.0 108.142 170.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -116.18 135.78 53.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.88 0.872 . . . . 0.0 109.972 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.0 m -137.99 141.64 40.45 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.32 1.048 . . . . 0.0 112.509 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.0 p -82.61 101.98 11.14 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.093 0.957 . . . . 0.0 110.027 172.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -139.93 151.86 45.92 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 56.57 30.68 17.72 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.194 1.398 . . . . 0.0 113.84 170.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.41 12.5 80.08 Favored Glycine 0 CA--C 1.54 1.641 0 C-N-CA 124.391 0.996 . . . . 0.0 114.913 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -137.46 -167.28 2.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.722 2.409 . . . . 0.0 110.512 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.61 135.61 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.399 1.08 . . . . 0.0 109.469 170.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.0 p -121.84 158.98 27.72 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.42 1.488 . . . . 0.0 111.53 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -133.91 141.14 47.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.155 1.382 . . . . 0.0 111.307 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -138.34 126.92 23.41 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.576 1.55 . . . . 0.0 110.73 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -74.53 127.95 34.35 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.534 -0.729 . . . . 0.0 111.869 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 44' ' ' LEU . 16.3 mt -105.61 80.44 1.56 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.038 2.135 . . . . 0.0 107.231 169.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.9 m -78.71 141.43 37.91 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.102 1.361 . . . . 0.0 111.816 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.16 129.22 34.23 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.773 -0.579 . . . . 0.0 111.34 174.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -141.51 112.09 7.07 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.442 1.497 . . . . 0.0 109.754 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 52.35 31.16 9.06 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.028 1.331 . . . . 0.0 114.429 -176.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.21 2.02 90.5 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.685 1.612 . . . . 0.0 115.196 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -109.15 174.43 5.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.118 2.167 . . . . 0.0 111.117 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.4 mm -105.6 119.97 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.114 1.366 . . . . 0.0 111.19 -171.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -105.29 128.36 53.42 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.874 1.669 . . . . 0.0 109.909 171.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.3 tt -139.18 122.08 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.166 1.386 . . . . 0.0 109.508 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.4 t70 51.88 -113.97 0.78 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.32 1.048 . . . . 0.0 110.367 -167.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.3 p -93.66 -18.59 21.98 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.654 1.116 . . . . 0.0 113.904 171.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -79.41 134.95 36.57 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.37 1.468 . . . . 0.0 111.778 -170.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.9 tp -108.62 132.96 53.37 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.837 1.255 . . . . 0.0 110.48 169.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -130.25 153.81 48.23 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 126.662 1.985 . . . . 0.0 110.846 177.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -65.31 -36.25 83.48 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -156.4 172.48 18.44 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.545 1.538 . . . . 0.0 111.617 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.21 -42.4 99.27 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.735 0.814 . . . . 0.0 113.087 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.27 -35.52 81.11 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.623 -0.673 . . . . 0.0 112.196 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.28 93.36 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.71 0.804 . . . . 0.0 112.642 172.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.37 80.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.239 0.615 . . . . 0.0 112.085 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -58.27 -49.13 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.893 0.877 . . . . 0.0 110.548 173.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.7 m -60.02 -40.6 89.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.683 1.193 . . . . 0.0 112.184 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.96 -45.3 95.31 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.183 -0.948 . . . . 0.0 111.599 173.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -77.27 -4.87 47.11 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 177.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.9 mmt -80.23 -38.19 31.55 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.849 -1.157 . . . . 0.0 110.06 166.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.37 -29.06 26.55 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.894 1.278 . . . . 0.0 113.481 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -128.51 155.17 45.28 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.95 1.7 . . . . 0.0 111.715 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.25 138.99 52.1 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.086 -1.009 . . . . 0.0 111.675 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 tt -80.35 -61.13 2.07 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.799 1.24 . . . . 0.0 110.468 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -146.32 -62.72 0.31 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.322 1.449 . . . . 0.0 110.609 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -92.61 -34.92 13.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.336 1.054 . . . . 0.0 112.878 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -158.42 -176.86 6.14 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.693 1.597 . . . . 0.0 111.016 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 p -89.82 161.07 16.18 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.771 1.628 . . . . 0.0 112.228 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.87 146.26 55.16 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.837 1.255 . . . . 0.0 111.21 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -121.51 -48.53 2.17 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -153.39 146.99 18.24 Favored Pre-proline 0 CA--C 1.544 0.732 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.65 147.6 57.48 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.599 2.2 . . . . 0.0 111.082 171.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.9 tp . . . . . 0 CA--C 1.544 0.727 0 O-C-N 121.691 -0.631 . . . . 0.0 110.554 169.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.938 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -64.01 -25.86 66.35 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.199 2.6 . . . . 0.0 113.917 -169.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -78.25 -10.04 59.48 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.896 1.278 . . . . 0.0 114.296 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -92.86 128.37 38.7 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 120.563 1.529 . . . . 0.0 112.612 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -119.46 1.82 11.22 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.192 1.397 . . . . 0.0 114.581 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.78 -133.92 37.74 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.739 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -77.8 49.94 3.1 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 124.551 3.5 . . . . 0.0 113.815 -173.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 tp -73.42 152.07 40.93 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.873 1.269 . . . . 0.0 110.776 171.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.4 m -103.56 161.87 13.52 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.958 1.303 . . . . 0.0 112.039 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -54.67 -45.77 73.94 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.55 -0.718 . . . . 0.0 112.459 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 m -58.93 -38.43 78.96 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.786 0.834 . . . . 0.0 112.548 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.49 -41.11 69.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.913 0.885 . . . . 0.0 111.964 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.2 98.48 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.229 0.612 . . . . 0.0 112.134 174.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.96 -49.89 74.29 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.885 1.274 . . . . 0.0 111.735 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -65.19 -29.71 70.55 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.547 0.612 . . . . 0.0 112.511 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.3 m -74.3 -47.62 33.55 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.26 0.624 . . . . 0.0 112.506 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -81.22 -25.82 36.39 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -66.0 -24.13 66.71 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.644 1.111 . . . . 0.0 112.182 173.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -80.14 -20.56 44.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.176 1.39 . . . . 0.0 113.12 172.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.2 mmm -98.32 160.41 28.26 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 125.843 1.657 . . . . 0.0 113.088 -174.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -72.01 160.29 47.94 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.174 2.583 . . . . 0.0 112.263 174.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -57.0 134.08 55.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.202 1.401 . . . . 0.0 112.866 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.73 2.58 67.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.658 1.123 . . . . 0.0 114.951 -174.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.3 m -77.39 128.48 34.33 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.517 1.159 . . . . 0.0 109.199 168.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -135.93 162.08 33.85 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 pp -145.67 161.26 40.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.208 1.403 . . . . 0.0 111.314 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.06 139.46 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.221 1.408 . . . . 0.0 109.568 171.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 ptt85 -137.27 160.83 37.9 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.091 1.356 . . . . 0.0 111.805 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.58 133.92 53.28 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.501 1.12 . . . . 0.0 110.241 169.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 t . . . . . 0 N--CA 1.468 0.462 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -169.529 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 121.136 0.493 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -122.85 171.07 9.47 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.192 0.997 . . . . 0.0 111.397 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.0 t -134.66 126.29 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.253 1.021 . . . . 0.0 109.671 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.5 tp -87.03 123.22 31.89 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.282 1.433 . . . . 0.0 107.7 169.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -115.17 136.24 53.32 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.515 0.726 . . . . 0.0 109.893 172.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.5 t -139.52 144.12 37.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.944 0.898 . . . . 0.0 112.052 -174.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.4 p -78.59 114.14 17.24 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.256 -0.903 . . . . 0.0 108.873 170.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -142.02 136.29 30.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.437 1.095 . . . . 0.0 112.4 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 t30 52.64 37.53 23.64 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.055 1.742 . . . . 0.0 114.01 173.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 8.43 74.73 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.24 0.924 . . . . 0.0 115.376 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -130.39 -170.3 2.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.328 2.251 . . . . 0.0 110.692 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -122.54 134.31 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.341 1.057 . . . . 0.0 110.245 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.7 p -113.26 159.47 19.31 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.462 1.905 . . . . 0.0 111.46 -177.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -140.92 136.92 32.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.195 1.398 . . . . 0.0 111.054 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -140.35 128.0 21.65 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.191 1.396 . . . . 0.0 111.412 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.53 134.82 48.05 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.935 0.789 . . . . 0.0 112.223 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.08 81.07 1.44 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.946 2.498 . . . . 0.0 105.829 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.6 m -77.77 139.92 39.4 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 124.958 1.303 . . . . 0.0 111.623 -172.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.5 127.94 32.87 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.106 0.563 . . . . 0.0 111.293 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -139.8 106.78 5.43 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.682 1.593 . . . . 0.0 109.55 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 51.88 31.5 8.49 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.917 1.287 . . . . 0.0 114.222 -174.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.01 -0.87 89.32 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.749 1.643 . . . . 0.0 115.33 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -103.03 172.61 6.72 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.667 1.987 . . . . 0.0 111.237 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.4 mm -107.96 118.63 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.072 1.349 . . . . 0.0 111.368 -169.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -104.99 127.92 53.06 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.023 1.729 . . . . 0.0 110.159 173.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.5 tt -139.21 127.33 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.768 1.227 . . . . 0.0 110.687 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 55.88 -83.43 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.381 1.873 . . . . 0.0 112.35 -168.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.5 p -134.37 -12.27 2.42 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.734 2.013 . . . . 0.0 113.009 171.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -81.51 136.99 35.63 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.706 1.602 . . . . 0.0 110.972 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.0 tp -106.94 133.21 51.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.717 1.207 . . . . 0.0 110.882 171.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.39 153.25 48.92 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 126.469 1.908 . . . . 0.0 111.138 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.49 -35.58 81.31 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -155.96 172.52 18.24 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.645 1.578 . . . . 0.0 111.252 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -47.85 84.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.875 0.87 . . . . 0.0 112.159 -177.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -64.12 -32.05 73.47 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.948 0.899 . . . . 0.0 112.753 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.19 86.77 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.57 -0.707 . . . . 0.0 112.578 171.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.59 81.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.123 0.569 . . . . 0.0 112.002 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.2 mm -57.88 -51.67 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-O 121.514 0.673 . . . . 0.0 109.897 171.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.0 m -59.2 -40.7 86.6 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.264 1.426 . . . . 0.0 112.265 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -60.24 -45.08 94.47 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.323 -0.861 . . . . 0.0 111.927 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -80.22 -3.84 50.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.6 mmt -80.37 -38.8 29.7 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.955 -1.091 . . . . 0.0 109.654 166.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -82.1 -29.66 31.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.867 1.267 . . . . 0.0 113.472 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -127.29 152.99 46.72 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.596 1.558 . . . . 0.0 111.803 -177.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -69.43 140.4 54.11 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.009 -1.057 . . . . 0.0 111.442 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.36 -62.89 1.55 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.903 1.281 . . . . 0.0 110.883 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.82 -48.76 0.29 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.605 1.162 . . . . 0.0 111.318 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -112.64 -33.92 5.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.653 1.581 . . . . 0.0 111.558 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -152.94 174.27 14.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.708 1.203 . . . . 0.0 112.906 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.8 p -88.53 159.13 18.07 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.755 1.622 . . . . 0.0 112.824 174.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.9 mt -67.32 143.35 56.44 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.504 1.122 . . . . 0.0 110.111 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -134.1 -38.97 0.86 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -154.58 146.56 17.17 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.58 147.55 57.86 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 122.366 2.044 . . . . 0.0 110.75 169.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.7 tp . . . . . 0 CA--C 1.542 0.662 0 O-C-N 121.525 -0.734 . . . . 0.0 109.53 168.924 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.915 0 CA-C-O 119.058 -0.496 . . . . 0.0 110.457 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.59 -26.83 53.79 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.848 2.365 . . . . 0.0 113.586 -171.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -79.35 -8.25 58.94 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.357 1.463 . . . . 0.0 114.392 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -83.43 133.27 34.93 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.444 1.475 . . . . 0.0 112.012 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -123.8 7.63 8.75 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.475 1.51 . . . . 0.0 114.203 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -147.81 48.72 Favored Glycine 0 CA--C 1.539 1.555 0 O-C-N 120.964 -1.085 . . . . 0.0 113.604 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -68.64 42.58 0.28 Allowed 'Trans proline' 0 CA--C 1.548 1.192 1 C-N-CA 125.459 4.106 . . . . 0.0 116.513 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.32 140.08 58.08 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.681 1.192 . . . . 0.0 110.953 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 m -88.47 161.32 17.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.174 0.989 . . . . 0.0 112.296 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -50.49 -53.9 26.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.857 0.863 . . . . 0.0 112.629 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -58.26 -36.69 73.61 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.12 -43.45 70.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.192 0.997 . . . . 0.0 112.234 174.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.2 99.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.549 0.74 . . . . 0.0 111.946 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.44 -45.19 76.76 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.647 1.179 . . . . 0.0 112.19 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -65.61 -32.38 73.93 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.167 0.894 . . . . 0.0 112.284 176.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -69.8 -50.75 40.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.979 0.512 . . . . 0.0 111.97 175.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.21 -24.23 51.35 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -175.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.4 tp -70.6 -27.29 63.99 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.486 1.039 . . . . 0.0 112.261 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -78.19 -32.99 50.34 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.543 1.137 . . . . 0.0 112.475 172.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mmm -78.79 161.3 69.54 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.604 1.562 . . . . 0.0 113.254 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -71.18 160.87 47.7 Favored 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 123.102 2.534 . . . . 0.0 112.236 172.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -57.35 133.43 55.13 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.088 1.355 . . . . 0.0 112.192 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.56 1.94 61.88 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.192 1.377 . . . . 0.0 114.553 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.4 m -76.64 130.03 37.23 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.818 0.847 . . . . 0.0 108.99 168.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -136.39 162.5 32.85 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -176.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -147.29 158.61 44.02 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.08 1.352 . . . . 0.0 110.774 175.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -122.56 136.2 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 124.596 1.158 . . . . 0.0 109.526 171.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -134.9 154.46 51.67 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.995 1.318 . . . . 0.0 111.493 -175.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.75 133.17 51.49 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.335 0.654 . . . . 0.0 109.477 169.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -168.773 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 N--CA 1.472 0.654 0 CA-C-O 121.256 0.551 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -114.68 169.63 8.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.865 1.266 . . . . 0.0 111.401 173.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.63 129.97 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.85 1.26 . . . . 0.0 110.002 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.7 tp -89.43 124.99 34.98 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 125.977 1.711 . . . . 0.0 108.071 169.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -114.96 136.6 52.94 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.631 0.772 . . . . 0.0 109.749 171.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 19.3 t -139.84 142.8 36.58 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.018 0.927 . . . . 0.0 111.887 -174.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.3 p -79.99 111.63 16.51 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 122.046 0.927 . . . . 0.0 109.369 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -134.57 133.0 39.77 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.313 1.045 . . . . 0.0 112.84 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 52.42 37.35 22.42 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.526 1.53 . . . . 0.0 113.731 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.58 7.06 82.7 Favored Glycine 0 CA--C 1.54 1.595 0 N-CA-C 115.582 0.993 . . . . 0.0 115.582 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 -170.02 2.24 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.881 2.073 . . . . 0.0 110.909 174.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.03 136.49 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.986 0.914 . . . . 0.0 110.953 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -117.18 158.19 24.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.543 1.937 . . . . 0.0 111.416 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -138.66 136.96 36.41 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.014 1.326 . . . . 0.0 111.285 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -139.24 129.6 25.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.643 1.577 . . . . 0.0 111.144 -175.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -70.24 137.65 51.0 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.25 -0.906 . . . . 0.0 112.502 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.4 mt -111.64 81.12 1.4 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.474 2.31 . . . . 0.0 105.962 168.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.3 m -80.2 143.07 34.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.897 1.279 . . . . 0.0 112.131 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.17 129.48 35.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.435 0.694 . . . . 0.0 112.111 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -133.64 105.51 6.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.413 1.485 . . . . 0.0 109.785 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 51.68 31.89 8.54 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.993 1.317 . . . . 0.0 114.075 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.56 -9.13 78.2 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.983 1.754 . . . . 0.0 115.375 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -85.1 162.08 19.42 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.274 1.43 . . . . 0.0 111.495 170.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.9 mm -109.98 119.58 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.851 1.66 . . . . 0.0 110.652 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -103.22 129.23 50.11 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.306 1.842 . . . . 0.0 110.235 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.3 tt -139.49 129.77 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.301 1.04 . . . . 0.0 110.827 172.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.43 -85.46 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.411 1.884 . . . . 0.0 112.336 -168.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -131.27 -11.5 3.63 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.49 1.916 . . . . 0.0 112.867 171.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -86.85 139.58 30.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.919 2.087 . . . . 0.0 111.18 -171.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.7 tp -115.29 135.75 53.83 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.082 1.353 . . . . 0.0 111.723 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -134.25 156.99 47.43 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.362 1.865 . . . . 0.0 111.931 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.05 -34.9 79.53 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -156.85 171.94 19.52 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.194 1.397 . . . . 0.0 112.557 -172.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.07 -41.51 99.45 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.192 0.997 . . . . 0.0 113.227 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.42 -35.08 79.75 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.428 -0.795 . . . . 0.0 112.38 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.2 90.12 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.807 0.843 . . . . 0.0 112.489 171.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.7 80.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.494 0.718 . . . . 0.0 112.738 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.81 -51.39 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.32 1.048 . . . . 0.0 110.189 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.2 m -57.44 -37.5 72.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.855 1.262 . . . . 0.0 112.964 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.58 -44.77 73.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.867 0.867 . . . . 0.0 112.304 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -87.38 1.39 53.49 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.9 mmt -83.63 -34.6 25.03 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.032 -1.042 . . . . 0.0 109.916 166.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.86 -33.46 62.1 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.925 1.29 . . . . 0.0 112.862 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -145.22 168.58 20.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.875 1.27 . . . . 0.0 112.607 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -63.64 146.19 54.26 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.178 0.991 . . . . 0.0 112.516 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 tt -84.36 -61.39 1.82 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.712 1.605 . . . . 0.0 110.672 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -141.31 -50.97 0.43 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.733 1.213 . . . . 0.0 111.112 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.21 -36.38 5.61 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.834 1.653 . . . . 0.0 111.449 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -150.58 169.96 20.29 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.692 1.197 . . . . 0.0 112.702 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.3 p -87.92 164.84 15.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.212 1.405 . . . . 0.0 112.549 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.5 mt -71.62 136.37 47.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.479 0.712 . . . . 0.0 109.359 169.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -125.76 -42.5 1.91 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.963 0.905 . . . . 0.0 112.988 -176.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -153.48 145.19 16.68 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 123.608 0.763 . . . . 0.0 113.009 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -69.71 152.2 69.5 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.439 2.092 . . . . 0.0 110.735 169.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.6 tp . . . . . 0 CA--C 1.546 0.822 0 C-N-CA 123.814 0.846 . . . . 0.0 111.346 169.318 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -60.08 -29.84 90.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.904 3.07 . . . . 0.0 114.797 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -71.65 -12.64 61.44 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -83.36 121.64 27.42 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.472 1.487 . . . . 0.0 111.7 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -114.36 0.81 14.23 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.262 1.425 . . . . 0.0 113.693 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.48 -129.59 42.7 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-O 118.378 -1.234 . . . . 0.0 113.359 174.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -77.14 49.74 2.91 Favored 'Trans proline' 0 CA--C 1.548 1.192 0 C-N-CA 124.475 3.45 . . . . 0.0 113.752 -173.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 tp -74.84 148.28 40.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.966 1.306 . . . . 0.0 109.817 172.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 p -84.7 163.11 19.4 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.195 -0.941 . . . . 0.0 112.038 170.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -61.3 -41.22 96.62 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.481 -0.762 . . . . 0.0 111.18 170.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.6 m -61.09 -42.25 98.15 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.528 1.131 . . . . 0.0 112.12 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -69.12 -38.6 78.96 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.558 -0.714 . . . . 0.0 112.105 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.56 98.51 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.151 0.58 . . . . 0.0 111.934 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.47 -46.91 86.35 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.657 0.783 . . . . 0.0 112.137 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.64 -31.14 72.0 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.677 -0.639 . . . . 0.0 112.54 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -71.36 -46.72 59.77 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.354 0.662 . . . . 0.0 112.068 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.91 -26.82 33.77 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -174.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.83 -24.64 67.87 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.289 0.949 . . . . 0.0 112.381 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -88.15 -11.69 46.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.512 1.525 . . . . 0.0 113.864 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.1 mmm -101.71 160.98 24.93 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.604 1.562 . . . . 0.0 113.593 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -65.71 164.97 24.69 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.597 2.864 . . . . 0.0 112.794 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.55 139.89 58.81 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.576 1.15 . . . . 0.0 112.671 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.459 ' HA3' ' HE2' ' A' ' 92' ' ' LYS . . . 78.23 14.25 82.43 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.923 1.725 . . . . 0.0 114.979 -173.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.4 m -75.18 130.53 39.33 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.62 1.21 . . . . 0.0 109.405 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -134.81 159.31 41.78 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -175.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.93 157.96 43.88 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.531 1.533 . . . . 0.0 111.077 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.14 138.24 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.182 1.393 . . . . 0.0 109.751 172.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -147.19 164.89 31.71 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.145 1.378 . . . . 0.0 111.968 -170.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.44 139.08 58.27 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.13 1.372 . . . . 0.0 111.916 173.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -176.338 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 . . . . . 0 CA--C 1.54 0.577 0 CA-C-O 121.45 0.643 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -124.4 169.67 11.6 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.05 1.34 . . . . 0.0 111.744 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.2 t -134.48 128.4 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.534 1.534 . . . . 0.0 109.445 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HB2' HD11 ' A' ' 57' ' ' LEU . 45.2 tp -91.47 129.49 37.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 125.935 1.694 . . . . 0.0 107.497 169.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -120.07 138.85 53.3 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.761 172.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.9 p -143.2 146.41 33.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.5 p -80.6 102.97 10.13 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 124.906 1.282 . . . . 0.0 109.544 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -141.01 149.01 41.19 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.5 t30 51.9 38.88 24.69 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.253 1.821 . . . . 0.0 113.377 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.26 9.67 72.89 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.575 1.083 . . . . 0.0 115.602 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -133.53 -173.1 3.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.907 2.083 . . . . 0.0 111.203 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.06 138.96 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.587 1.155 . . . . 0.0 109.367 169.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.5 p -129.21 156.46 43.92 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.359 1.464 . . . . 0.0 111.158 -173.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -134.8 144.88 47.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.914 1.286 . . . . 0.0 111.975 -175.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -142.57 133.62 25.85 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.895 1.678 . . . . 0.0 110.778 -175.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -75.19 129.89 38.25 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.246 -0.909 . . . . 0.0 112.145 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 44' ' ' LEU . 19.0 mt -108.89 78.09 1.12 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.549 1.94 . . . . 0.0 106.798 168.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.4 m -77.17 142.34 39.7 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.814 1.245 . . . . 0.0 111.877 -173.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.58 128.73 34.59 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.237 0.615 . . . . 0.0 111.359 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -140.87 110.09 6.22 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.465 1.506 . . . . 0.0 109.796 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 51.89 31.36 8.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.047 1.339 . . . . 0.0 114.264 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.21 1.21 90.47 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.669 1.604 . . . . 0.0 115.292 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -107.82 173.79 6.17 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.871 2.068 . . . . 0.0 111.19 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.8 mm -105.83 120.49 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.099 1.36 . . . . 0.0 111.323 -170.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -106.91 128.02 53.95 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.919 1.688 . . . . 0.0 110.003 172.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.4 tt -139.33 126.53 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.865 1.266 . . . . 0.0 110.405 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.7 t70 54.6 -91.28 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.884 1.674 . . . . 0.0 111.913 -167.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.5 p -123.0 -12.71 7.94 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.467 1.507 . . . . 0.0 113.399 169.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -81.56 136.44 35.58 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.665 1.586 . . . . 0.0 111.204 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.1 tp -106.77 133.91 50.71 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.754 1.222 . . . . 0.0 110.832 171.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -131.89 154.04 49.62 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.61 1.964 . . . . 0.0 111.022 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.57 -36.09 82.76 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -155.9 171.91 19.27 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.392 1.477 . . . . 0.0 111.795 -173.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 mt -62.21 -42.97 99.79 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.89 0.876 . . . . 0.0 113.0 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -63.42 -36.51 83.97 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.608 -0.683 . . . . 0.0 112.252 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.59 93.89 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.785 0.834 . . . . 0.0 112.635 172.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.61 82.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.284 0.634 . . . . 0.0 112.082 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.37 -49.32 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.014 0.926 . . . . 0.0 110.498 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.5 m -60.98 -41.88 97.29 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.691 1.196 . . . . 0.0 112.189 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -58.84 -44.08 90.86 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.301 -0.875 . . . . 0.0 111.44 174.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -78.12 5.02 10.98 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 175.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.5 mtt -96.31 -38.54 10.04 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.538 1.135 . . . . 0.0 109.977 166.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.83 -28.8 60.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.476 1.11 . . . . 0.0 113.041 175.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -130.09 160.07 34.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.456 1.903 . . . . 0.0 111.424 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.14 144.19 44.97 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.014 -1.054 . . . . 0.0 111.709 175.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tt -83.24 -62.64 1.54 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.519 1.128 . . . . 0.0 110.481 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -143.37 -65.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.128 1.371 . . . . 0.0 110.644 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -91.57 -33.81 14.99 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.393 1.077 . . . . 0.0 112.745 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.2 t -159.16 -174.24 4.62 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.524 1.929 . . . . 0.0 110.045 174.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -85.64 164.84 17.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.637 1.575 . . . . 0.0 112.497 169.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 71.1 mt -69.02 131.56 45.24 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.109 1.364 . . . . 0.0 109.41 169.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HE2' ' HA3' ' A' ' 28' ' ' GLY . 36.0 mtmm -121.66 -34.06 3.48 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -171.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -153.38 144.11 15.89 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-N 119.484 1.038 . . . . 0.0 113.015 170.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.46 148.57 43.07 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.306 2.004 . . . . 0.0 111.376 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.2 tp . . . . . 0 CA--C 1.546 0.794 0 C-N-CA 123.33 0.652 . . . . 0.0 110.7 169.61 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 113.407 0.891 . . . . 0.0 113.407 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.85 -21.22 57.94 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.92 2.413 . . . . 0.0 113.353 -175.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -96.03 -5.18 41.64 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.364 1.866 . . . . 0.0 114.609 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -90.79 131.35 36.51 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.324 1.42 . . . . 0.0 112.487 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -118.54 -1.41 11.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.639 1.576 . . . . 0.0 114.32 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.01 -146.18 47.67 Favored Glycine 0 CA--C 1.54 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 113.234 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -68.69 52.21 0.67 Allowed 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 125.29 3.993 . . . . 0.0 116.072 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 tp -70.98 149.6 46.49 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.962 -1.086 . . . . 0.0 110.173 172.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.7 m -89.89 156.14 18.66 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.691 0.796 . . . . 0.0 111.439 171.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -52.65 -48.51 66.38 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.714 -0.616 . . . . 0.0 112.411 174.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.6 m -56.34 -37.75 70.42 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.591 0.757 . . . . 0.0 112.528 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.5 -38.33 65.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.087 0.955 . . . . 0.0 112.622 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.21 96.76 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.385 0.674 . . . . 0.0 111.817 172.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.92 -46.99 76.23 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.54 1.136 . . . . 0.0 111.986 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -69.67 -12.71 61.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -85.52 -54.72 4.39 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.138 0.881 . . . . 0.0 111.369 169.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.94 -26.14 61.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -174.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.26 -24.82 67.42 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.459 1.027 . . . . 0.0 112.598 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -90.77 -13.45 33.93 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.222 1.409 . . . . 0.0 113.747 173.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 94.5 mmm -92.39 159.73 36.38 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.241 1.416 . . . . 0.0 112.535 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.47 161.55 45.62 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 122.988 2.459 . . . . 0.0 111.887 173.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -56.63 138.27 52.67 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.565 1.146 . . . . 0.0 112.555 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.84 3.89 79.67 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.67 1.129 . . . . 0.0 114.981 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.5 m -74.8 129.52 37.83 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.42 1.11 . . . . 0.0 108.83 168.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -136.55 161.17 36.63 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.64 155.69 42.64 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.996 1.318 . . . . 0.0 111.109 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.01 138.56 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.624 1.17 . . . . 0.0 109.933 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -142.63 157.44 44.68 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.433 1.493 . . . . 0.0 111.423 -172.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.43 135.99 53.99 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.048 0.939 . . . . 0.0 110.632 172.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.4 t . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -169.823 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 . . . . . 0 CA--C 1.543 0.698 0 CA-C-O 121.15 0.5 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -120.68 169.71 10.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.271 1.429 . . . . 0.0 111.556 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.7 t -135.74 129.55 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.84 1.256 . . . . 0.0 109.884 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.53 122.62 33.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.977 1.711 . . . . 0.0 107.844 169.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -115.39 135.16 54.42 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.614 0.766 . . . . 0.0 110.114 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 70.9 m -136.59 143.07 43.39 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.316 1.046 . . . . 0.0 112.079 -172.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.1 p -80.65 114.43 19.54 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 168.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -142.91 140.83 31.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.305 1.042 . . . . 0.0 111.851 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 56.74 31.13 18.85 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.147 1.379 . . . . 0.0 113.994 170.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.01 10.63 81.12 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 124.385 0.993 . . . . 0.0 114.879 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -133.71 -169.49 2.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 127.907 2.483 . . . . 0.0 110.441 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.16 134.48 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.257 1.023 . . . . 0.0 110.325 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -116.57 157.03 25.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.65 1.98 . . . . 0.0 111.218 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -138.96 137.27 36.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.996 1.318 . . . . 0.0 111.231 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -139.09 130.67 27.27 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.254 1.422 . . . . 0.0 111.38 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -77.05 126.31 30.76 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.408 -0.807 . . . . 0.0 111.811 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.3 mt -100.27 90.66 4.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.245 1.818 . . . . 0.0 107.216 169.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 m -87.93 144.99 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 125.362 1.465 . . . . 0.0 112.048 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.26 120.53 33.65 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.423 -0.798 . . . . 0.0 111.479 173.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -137.16 135.39 37.3 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.965 1.306 . . . . 0.0 110.53 170.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 50.59 30.05 4.54 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.549 1.54 . . . . 0.0 114.832 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.03 9.54 86.71 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.314 1.435 . . . . 0.0 115.202 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -122.06 163.88 18.66 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.668 1.987 . . . . 0.0 111.944 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.9 mm -91.69 118.1 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.012 1.325 . . . . 0.0 110.854 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -101.69 147.47 26.41 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.952 1.701 . . . . 0.0 110.748 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -148.86 117.43 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.148 0.979 . . . . 0.0 109.191 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.43 -101.29 0.11 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.784 1.633 . . . . 0.0 112.801 -168.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.4 p -111.48 -0.19 16.3 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.792 1.637 . . . . 0.0 113.635 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -91.73 149.9 21.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.633 1.573 . . . . 0.0 110.809 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.4 tp -134.09 135.41 43.22 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.368 1.467 . . . . 0.0 110.901 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -139.03 155.87 47.63 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.828 2.051 . . . . 0.0 111.25 -175.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.27 -36.01 81.88 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -156.29 172.22 18.85 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.441 1.496 . . . . 0.0 111.779 -173.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.95 -42.1 98.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.64 0.776 . . . . 0.0 112.895 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.88 -35.58 81.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.613 -0.68 . . . . 0.0 112.234 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.21 90.03 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.664 0.785 . . . . 0.0 112.661 172.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.71 88.01 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.232 0.613 . . . . 0.0 112.385 175.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.7 mm -60.63 -50.26 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.06 0.944 . . . . 0.0 110.447 171.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.9 m -58.82 -38.65 79.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.816 1.246 . . . . 0.0 112.367 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -58.82 -45.07 90.81 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.197 -0.94 . . . . 0.0 111.986 173.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -79.14 -3.72 46.92 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.2 mmt -80.15 -37.62 33.06 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.865 -1.147 . . . . 0.0 109.698 166.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -83.37 -29.65 28.04 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.853 1.261 . . . . 0.0 113.416 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -126.81 152.14 47.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.616 1.566 . . . . 0.0 111.94 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.88 139.56 55.16 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.05 -1.031 . . . . 0.0 111.64 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.37 -63.08 1.5 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.417 1.087 . . . . 0.0 110.695 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -144.06 -50.82 0.3 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.575 1.15 . . . . 0.0 111.515 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -110.28 -32.1 7.08 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.282 1.433 . . . . 0.0 111.674 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 t -153.03 169.7 22.27 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.942 1.297 . . . . 0.0 112.5 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 56.0 p -82.89 160.62 22.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.88 1.272 . . . . 0.0 111.662 169.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.85 142.52 58.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.177 0.991 . . . . 0.0 110.901 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -122.33 -45.06 2.23 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.466 1.107 . . . . 0.0 112.814 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -155.51 146.97 16.83 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.4 145.26 37.85 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.887 2.392 . . . . 0.0 111.597 171.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.0 tp . . . . . 0 CA--C 1.542 0.668 0 O-C-N 121.429 -0.795 . . . . 0.0 109.727 168.17 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.902 0 CA-C-O 118.989 -0.529 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -63.29 -27.84 72.1 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.365 2.71 . . . . 0.0 114.428 -168.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -80.52 -8.32 59.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.425 1.49 . . . . 0.0 114.386 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -85.14 132.47 34.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.151 1.342 . . . . 0.0 112.314 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -122.05 0.84 9.73 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.622 1.569 . . . . 0.0 113.851 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.66 -136.17 41.59 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-O 118.591 -1.116 . . . . 0.0 113.242 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.57 57.57 6.03 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 124.312 3.341 . . . . 0.0 113.061 -176.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.64 148.15 38.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.276 1.031 . . . . 0.0 109.873 171.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.8 m -90.54 156.51 18.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.748 0.819 . . . . 0.0 111.335 171.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -52.54 -50.12 63.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.205 0.602 . . . . 0.0 112.587 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 m -57.67 -36.21 71.6 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -71.16 -42.62 68.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.049 0.94 . . . . 0.0 112.326 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.97 98.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.551 0.74 . . . . 0.0 111.889 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -67.99 -43.83 78.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.846 1.258 . . . . 0.0 112.234 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -65.57 -35.11 79.87 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.327 0.967 . . . . 0.0 112.116 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -67.35 -51.44 52.25 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.07 0.548 . . . . 0.0 111.792 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.57 -22.76 56.7 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.89 -28.41 62.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.383 0.992 . . . . 0.0 112.368 171.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -78.84 -33.03 46.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.285 1.034 . . . . 0.0 112.526 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.8 mmm -76.82 161.29 74.38 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.215 1.406 . . . . 0.0 113.152 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.02 163.72 37.9 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.296 2.664 . . . . 0.0 112.594 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -54.89 132.32 46.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.303 1.441 . . . . 0.0 112.122 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.76 2.11 63.17 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.134 1.35 . . . . 0.0 115.007 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -74.89 133.59 41.79 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.717 0.807 . . . . 0.0 109.55 169.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -136.47 161.32 36.18 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.48 157.75 43.8 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.873 1.269 . . . . 0.0 111.497 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.38 137.98 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.857 1.263 . . . . 0.0 110.069 169.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -142.83 160.51 40.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.56 1.544 . . . . 0.0 111.534 -173.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.87 137.17 58.19 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.32 1.048 . . . . 0.0 111.087 170.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.471 0.583 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 . . . . . 0 CA--C 1.541 0.623 0 CA-C-O 121.298 0.57 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -124.36 170.04 11.22 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.87 1.268 . . . . 0.0 111.668 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.6 t -136.15 129.84 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.044 1.338 . . . . 0.0 109.617 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 tp -91.76 123.32 35.07 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.805 1.642 . . . . 0.0 107.86 169.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -115.05 137.46 51.99 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.442 0.697 . . . . 0.0 110.086 175.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.8 m -139.12 138.95 37.48 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.426 1.09 . . . . 0.0 112.207 -173.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 p -80.46 100.5 8.55 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 122.059 0.933 . . . . 0.0 110.214 173.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -139.31 153.49 47.75 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 56.59 29.94 16.47 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.295 1.438 . . . . 0.0 113.931 172.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 12.72 79.78 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.359 0.98 . . . . 0.0 114.816 -177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -136.8 -166.77 1.96 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 127.683 2.393 . . . . 0.0 110.289 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.91 138.47 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.299 1.039 . . . . 0.0 109.325 169.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.6 p -122.26 154.62 37.3 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.913 1.685 . . . . 0.0 110.854 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -137.45 139.49 40.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.85 1.26 . . . . 0.0 111.511 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -139.66 127.86 22.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.432 1.493 . . . . 0.0 110.844 -174.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -67.39 132.47 47.74 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.437 -0.789 . . . . 0.0 112.34 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.76 76.88 1.0 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.722 2.009 . . . . 0.0 106.315 167.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.8 m -77.56 141.95 39.27 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.577 1.151 . . . . 0.0 111.7 -173.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.15 129.54 34.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.143 0.577 . . . . 0.0 111.357 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -140.76 108.69 5.7 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.807 1.643 . . . . 0.0 109.658 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 53.23 30.52 10.09 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.905 1.282 . . . . 0.0 113.889 -175.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.58 0.15 89.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.879 1.704 . . . . 0.0 115.32 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -104.16 173.32 6.35 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.851 2.06 . . . . 0.0 111.206 174.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.1 mm -105.79 120.33 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.078 1.351 . . . . 0.0 111.424 -170.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -106.67 126.52 52.38 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.987 1.715 . . . . 0.0 110.054 172.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 tt -139.65 128.38 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.934 1.294 . . . . 0.0 111.021 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 56.14 -84.25 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.253 1.821 . . . . 0.0 112.247 -168.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -134.25 -11.78 2.49 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.776 2.031 . . . . 0.0 112.907 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -81.98 138.28 34.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.99 1.716 . . . . 0.0 111.215 -176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.5 tp -107.89 133.49 52.16 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.906 1.282 . . . . 0.0 110.747 171.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -131.99 154.04 49.74 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.458 1.903 . . . . 0.0 111.192 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.37 -35.73 81.84 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -155.89 171.69 19.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.3 1.44 . . . . 0.0 111.802 -173.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.2 -42.95 99.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.05 0.94 . . . . 0.0 112.93 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.53 -35.99 82.29 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.536 -0.728 . . . . 0.0 112.344 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.19 93.12 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.696 0.798 . . . . 0.0 112.643 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.18 82.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.24 0.616 . . . . 0.0 112.287 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.8 mm -58.75 -49.63 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.156 0.982 . . . . 0.0 110.43 173.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.2 m -60.18 -42.23 94.57 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.518 1.127 . . . . 0.0 112.175 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.22 -43.86 92.32 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.256 -0.903 . . . . 0.0 111.608 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -78.17 3.44 15.18 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.7 mtt -94.95 -37.32 11.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.412 1.085 . . . . 0.0 110.139 166.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -76.41 -28.88 56.84 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.64 1.176 . . . . 0.0 113.024 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -131.07 159.28 38.03 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.344 1.858 . . . . 0.0 111.591 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.55 143.43 46.48 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.039 -1.038 . . . . 0.0 111.757 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 tt -83.67 -62.22 1.63 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.752 1.221 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.56 -70.54 0.36 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.223 1.409 . . . . 0.0 110.284 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -89.87 -32.13 17.02 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.224 1.01 . . . . 0.0 113.003 178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 t -157.5 -177.7 6.79 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.417 1.487 . . . . 0.0 111.553 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 p -90.56 160.68 15.82 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.833 1.653 . . . . 0.0 112.307 169.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.2 mt -65.92 136.66 56.41 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.006 1.322 . . . . 0.0 111.012 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -112.01 -49.72 2.96 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -152.34 146.04 18.04 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -173.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -72.88 142.45 35.15 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.73 2.287 . . . . 0.0 111.335 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.3 tp . . . . . 0 CA--C 1.543 0.709 0 O-C-N 121.57 -0.706 . . . . 0.0 110.172 169.36 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.849 0 CA-C-O 118.887 -0.578 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.42 -26.68 34.49 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.053 2.502 . . . . 0.0 114.044 -171.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -80.5 -3.96 52.03 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.505 1.522 . . . . 0.0 114.541 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -84.23 135.81 34.2 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.906 1.23 . . . . 0.0 112.435 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -124.21 7.33 8.48 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.512 1.525 . . . . 0.0 114.424 -178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.97 -149.21 50.08 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 113.115 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -77.4 57.7 6.01 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.353 3.368 . . . . 0.0 112.816 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.94 138.08 45.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.684 1.193 . . . . 0.0 110.794 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.1 m -80.95 158.03 25.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.75 0.82 . . . . 0.0 112.048 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -51.09 -53.17 36.52 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.684 0.794 . . . . 0.0 112.41 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -59.01 -35.9 74.02 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -70.71 -43.01 69.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.123 0.969 . . . . 0.0 112.322 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.02 97.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.45 0.7 . . . . 0.0 111.724 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -67.91 -42.91 80.38 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.655 1.182 . . . . 0.0 112.399 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -66.0 -35.42 80.54 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.534 1.061 . . . . 0.0 112.104 175.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.9 m -66.23 -49.55 66.85 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.922 0.489 . . . . 0.0 111.693 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.51 -23.13 50.29 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -71.48 -29.22 64.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.327 0.967 . . . . 0.0 112.206 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.86 -32.96 52.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.213 1.005 . . . . 0.0 112.447 173.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 88.6 mmm -77.88 161.68 70.4 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.215 1.406 . . . . 0.0 113.371 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.48 168.04 25.41 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.293 2.662 . . . . 0.0 112.734 172.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.37 139.64 57.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.18 1.392 . . . . 0.0 112.781 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.08 87.54 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.282 1.896 . . . . 0.0 115.63 -176.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -73.78 132.6 42.78 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.301 1.051 . . . . 0.0 109.708 169.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -136.31 161.46 35.71 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.18 157.43 43.6 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 125.292 1.437 . . . . 0.0 110.922 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -119.69 136.45 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.424 1.089 . . . . 0.0 109.944 170.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -136.48 152.55 50.68 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.171 1.388 . . . . 0.0 111.803 -176.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.75 133.66 52.52 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 168.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 C--O 1.234 0.268 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -167.874 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -120.97 166.08 14.34 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.269 -0.894 . . . . 0.0 112.436 -176.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.44 130.07 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.065 1.346 . . . . 0.0 109.558 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.7 tp -91.67 120.14 32.17 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 125.817 1.647 . . . . 0.0 108.084 170.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -112.21 133.88 54.08 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.797 0.839 . . . . 0.0 109.721 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.3 m -136.02 139.54 43.19 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.646 1.178 . . . . 0.0 112.168 -172.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 p -81.87 101.19 10.05 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 169.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -142.92 152.67 42.3 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.2 t30 49.18 40.41 17.7 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.476 1.91 . . . . 0.0 113.273 -174.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.98 9.09 55.97 Favored Glycine 0 CA--C 1.542 1.738 0 N-CA-C 115.863 1.105 . . . . 0.0 115.863 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -129.66 -169.51 2.13 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.19 2.196 . . . . 0.0 110.756 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.3 t -117.8 134.97 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.106 0.962 . . . . 0.0 110.05 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -124.6 158.43 33.05 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.771 1.628 . . . . 0.0 111.375 -176.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -135.4 139.08 43.9 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.976 1.31 . . . . 0.0 111.279 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -137.41 128.14 27.05 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.583 1.553 . . . . 0.0 110.706 -175.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -73.67 131.96 42.21 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.4 -0.813 . . . . 0.0 112.011 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.8 mt -107.65 79.81 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.051 2.141 . . . . 0.0 106.799 169.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.8 m -77.85 140.22 39.34 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.857 1.263 . . . . 0.0 111.68 -173.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.55 129.1 34.16 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.263 0.625 . . . . 0.0 111.285 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -139.54 106.84 5.51 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.591 1.557 . . . . 0.0 109.697 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 51.82 31.8 8.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.015 1.326 . . . . 0.0 114.249 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.08 -1.34 88.9 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.681 1.61 . . . . 0.0 115.228 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -102.68 174.45 5.88 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.549 1.94 . . . . 0.0 111.029 173.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.9 mm -108.96 119.92 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.017 1.327 . . . . 0.0 111.39 -170.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -106.06 127.38 53.14 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.947 1.699 . . . . 0.0 110.089 172.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.2 tt -139.43 127.92 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.787 1.235 . . . . 0.0 110.628 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.5 t70 55.79 -83.89 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.339 1.856 . . . . 0.0 112.371 -168.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -134.21 -12.35 2.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.747 2.019 . . . . 0.0 112.888 171.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -80.89 136.62 36.09 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.927 1.691 . . . . 0.0 110.894 -176.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 tp -105.82 133.17 50.98 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.513 1.125 . . . . 0.0 110.751 170.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.13 154.05 47.9 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.641 1.976 . . . . 0.0 110.852 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.39 -35.82 82.11 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -156.32 172.21 18.88 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.511 1.525 . . . . 0.0 111.722 -174.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.87 -42.39 99.0 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.809 0.843 . . . . 0.0 113.027 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.52 -35.53 81.25 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.602 -0.686 . . . . 0.0 112.357 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.99 92.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.675 0.79 . . . . 0.0 112.59 172.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.82 79.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.32 0.648 . . . . 0.0 112.087 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.4 mm -58.44 -49.41 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.953 0.901 . . . . 0.0 110.459 173.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -59.81 -41.02 90.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.728 1.211 . . . . 0.0 112.22 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.11 -44.76 94.61 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.197 -0.94 . . . . 0.0 111.626 174.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -78.52 -2.6 39.49 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.4 mmt -83.29 -39.56 20.67 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.071 -1.018 . . . . 0.0 109.782 166.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -81.71 -29.01 33.16 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.735 1.214 . . . . 0.0 113.502 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -128.46 156.88 42.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.937 1.695 . . . . 0.0 111.628 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.52 140.25 49.84 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.0 -1.062 . . . . 0.0 111.638 176.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tt -81.52 -60.67 2.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.779 1.232 . . . . 0.0 110.436 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -145.41 -64.44 0.33 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.091 1.356 . . . . 0.0 110.455 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.75 -33.88 14.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.324 1.05 . . . . 0.0 113.054 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -157.8 -175.14 5.2 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.773 1.629 . . . . 0.0 110.762 173.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.1 p -87.97 161.84 17.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.818 1.647 . . . . 0.0 112.276 169.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.99 144.62 56.94 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.073 1.349 . . . . 0.0 110.878 171.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -125.66 -42.37 1.94 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -157.57 147.71 15.68 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.8 147.1 49.58 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.847 2.365 . . . . 0.0 111.663 171.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 CA--C 1.546 0.814 0 C-N-CA 123.631 0.772 . . . . 0.0 110.564 169.016 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.994 0 CA-C-O 119.331 -0.366 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.33 -20.39 55.27 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.161 2.574 . . . . 0.0 113.698 -171.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -86.08 -9.24 57.06 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -89.62 130.89 35.85 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.698 1.59 . . . . 0.0 112.482 -177.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -122.62 8.97 9.52 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.525 1.53 . . . . 0.0 114.27 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.85 -145.71 45.52 Favored Glycine 0 CA--C 1.537 1.435 0 O-C-N 120.817 -1.177 . . . . 0.0 113.494 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.7 53.4 4.35 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.502 3.468 . . . . 0.0 113.084 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 tp -71.72 142.4 49.79 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.808 1.243 . . . . 0.0 110.422 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.6 m -91.76 161.64 14.79 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.211 1.005 . . . . 0.0 112.197 175.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -49.62 -54.06 20.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.818 0.847 . . . . 0.0 112.591 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -57.95 -36.84 73.11 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -72.18 -40.31 68.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.179 0.992 . . . . 0.0 112.538 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.76 94.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.628 0.771 . . . . 0.0 111.868 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.6 -45.95 77.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.684 1.193 . . . . 0.0 111.995 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -70.66 -12.82 61.8 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.3 m -84.69 -53.78 5.14 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.239 0.927 . . . . 0.0 111.369 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.91 -26.34 60.48 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.38 -25.2 67.47 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.673 1.124 . . . . 0.0 112.521 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -90.4 -12.48 37.41 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.19 1.396 . . . . 0.0 113.729 173.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 95.2 mmm -93.1 160.03 34.36 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.332 1.453 . . . . 0.0 112.274 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.19 162.18 43.39 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.874 2.383 . . . . 0.0 111.895 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.59 138.82 51.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.548 1.139 . . . . 0.0 112.614 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.11 2.52 80.5 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.457 1.027 . . . . 0.0 114.775 -176.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 m -74.85 130.82 40.11 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.605 1.203 . . . . 0.0 109.192 168.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -137.18 161.93 34.83 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.47 157.88 43.76 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.04 1.336 . . . . 0.0 110.924 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -121.88 137.54 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.12 1.368 . . . . 0.0 109.594 171.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -137.27 154.95 50.01 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.178 1.391 . . . . 0.0 111.676 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.2 135.04 54.95 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.076 0.55 . . . . 0.0 109.846 169.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -169.226 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 . . . . . 0 CA--C 1.542 0.647 0 CA-C-O 121.71 0.767 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -110.76 170.0 8.39 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.803 1.241 . . . . 0.0 110.072 169.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.0 t -136.61 128.82 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.417 1.087 . . . . 0.0 110.017 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.4 tp -90.28 122.89 33.59 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.166 1.786 . . . . 0.0 108.228 170.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 m -116.4 133.32 56.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.01 0.924 . . . . 0.0 109.934 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.1 m -135.93 143.58 45.0 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.49 1.116 . . . . 0.0 112.664 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 p -80.96 113.87 19.46 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 169.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -142.83 136.58 28.9 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.212 1.005 . . . . 0.0 112.466 -175.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.2 t30 52.53 38.4 25.58 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.958 1.703 . . . . 0.0 113.992 170.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.44 7.9 74.33 Favored Glycine 0 CA--C 1.539 1.55 0 N-CA-C 115.444 0.938 . . . . 0.0 115.444 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -129.43 -172.09 2.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.253 2.221 . . . . 0.0 110.971 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.2 t -120.6 133.76 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.444 1.098 . . . . 0.0 109.903 173.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.1 p -115.02 156.91 24.24 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.516 1.926 . . . . 0.0 111.23 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -139.17 137.32 35.95 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.879 1.271 . . . . 0.0 111.344 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -140.82 128.76 21.9 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.674 1.59 . . . . 0.0 110.659 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -73.62 133.64 43.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.814 1.188 . . . . 0.0 112.238 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.8 mt -99.42 78.97 2.24 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.454 2.301 . . . . 0.0 105.035 167.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.1 m -76.49 138.71 40.44 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.44 1.496 . . . . 0.0 111.984 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.12 125.19 29.5 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.102 0.561 . . . . 0.0 111.059 174.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -138.93 104.32 5.03 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.208 1.403 . . . . 0.0 109.75 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 50.46 33.4 7.72 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.318 1.447 . . . . 0.0 114.747 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.12 -4.2 86.41 Favored Glycine 0 CA--C 1.541 1.67 0 C-N-CA 125.962 1.744 . . . . 0.0 115.374 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -97.13 168.09 10.66 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.48 1.912 . . . . 0.0 111.638 172.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 mm -104.59 118.02 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.788 1.635 . . . . 0.0 110.243 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -103.43 129.48 50.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.736 1.614 . . . . 0.0 109.965 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.6 tt -139.37 125.79 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.262 1.025 . . . . 0.0 111.429 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 56.32 -70.77 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.901 2.48 . . . . 0.0 113.878 -169.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -143.02 -10.22 0.77 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.372 1.869 . . . . 0.0 113.643 169.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -89.9 137.53 32.26 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.985 1.714 . . . . 0.0 110.718 -171.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.4 tp -111.28 134.62 52.73 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.947 1.299 . . . . 0.0 111.719 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -135.2 155.45 50.65 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.06 1.744 . . . . 0.0 112.177 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.34 -35.82 82.1 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -156.52 172.26 18.86 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.149 1.379 . . . . 0.0 112.322 -172.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.9 -44.04 97.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.255 1.022 . . . . 0.0 113.171 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.57 -35.14 79.51 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.572 -0.705 . . . . 0.0 112.346 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.78 90.3 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.962 0.905 . . . . 0.0 112.587 172.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.82 -40.3 87.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.245 0.618 . . . . 0.0 112.324 176.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.2 mm -61.24 -50.66 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.138 0.975 . . . . 0.0 110.436 171.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.8 m -58.64 -39.97 82.07 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.557 1.143 . . . . 0.0 112.366 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -57.82 -44.01 86.15 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.062 -1.024 . . . . 0.0 112.038 174.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -80.47 2.68 24.21 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 51.3 mtt -92.09 -36.07 13.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.045 -1.034 . . . . 0.0 109.914 166.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -77.53 -29.1 52.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.706 1.203 . . . . 0.0 113.178 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -129.93 157.19 42.98 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.014 1.726 . . . . 0.0 111.851 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -72.97 145.0 47.04 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.948 -1.095 . . . . 0.0 111.707 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -83.0 -63.71 1.31 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.738 1.215 . . . . 0.0 110.987 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.3 -53.05 0.37 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.468 1.107 . . . . 0.0 111.428 177.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -112.49 -30.81 7.01 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.36 1.464 . . . . 0.0 111.895 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -150.87 175.63 11.84 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.816 1.247 . . . . 0.0 112.521 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.0 p -88.48 166.04 14.47 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.458 1.503 . . . . 0.0 112.107 170.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.78 127.49 32.74 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.322 1.049 . . . . 0.0 110.104 171.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -112.3 -42.16 3.76 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.462 1.105 . . . . 0.0 113.243 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -155.45 145.83 15.98 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -70.23 147.54 60.06 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.515 2.143 . . . . 0.0 110.815 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.6 tp . . . . . 0 CA--C 1.545 0.776 0 O-C-N 121.377 -0.827 . . . . 0.0 111.315 172.426 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.92 0 CA-C-O 119.016 -0.516 . . . . 0.0 111.911 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -61.37 -30.57 87.58 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.012 2.474 . . . . 0.0 113.967 -168.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -75.36 -11.53 60.07 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -84.07 133.47 34.64 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 120.556 1.525 . . . . 0.0 111.845 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -122.9 7.62 9.32 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.442 1.497 . . . . 0.0 114.195 -177.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.32 -147.0 48.43 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 120.893 -1.13 . . . . 0.0 113.185 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.04 54.91 5.09 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.422 3.415 . . . . 0.0 113.05 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 tp -72.43 141.15 48.65 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.682 1.193 . . . . 0.0 110.672 174.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -87.72 160.73 17.97 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.233 1.013 . . . . 0.0 112.198 175.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -51.06 -54.15 27.42 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.818 0.847 . . . . 0.0 112.711 176.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 m -57.52 -37.03 72.36 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.183 0.593 . . . . 0.0 112.556 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -69.93 -43.96 70.58 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.072 0.949 . . . . 0.0 112.259 174.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.42 99.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.495 0.718 . . . . 0.0 112.216 175.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.49 -45.42 79.68 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.591 1.157 . . . . 0.0 111.903 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -66.38 -34.25 77.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.033 0.833 . . . . 0.0 112.322 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 m -67.03 -44.36 80.42 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.032 0.533 . . . . 0.0 112.38 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.02 -26.71 28.91 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -65.02 -25.48 67.87 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.819 1.19 . . . . 0.0 112.202 173.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -77.3 -22.05 52.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.102 1.361 . . . . 0.0 113.369 171.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -98.74 160.62 27.43 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 125.831 1.652 . . . . 0.0 113.287 -172.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.0 162.93 41.01 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 123.221 2.614 . . . . 0.0 112.383 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.53 137.18 56.58 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.148 1.379 . . . . 0.0 113.056 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.18 5.3 85.74 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.636 1.112 . . . . 0.0 114.648 -176.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.4 m -73.92 129.04 37.09 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.976 1.388 . . . . 0.0 108.616 167.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.38 160.36 38.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -173.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.25 157.72 43.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.036 1.334 . . . . 0.0 110.741 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.26 135.57 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 124.855 1.262 . . . . 0.0 109.432 171.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -133.68 153.01 52.01 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.969 1.307 . . . . 0.0 111.527 -176.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.79 133.44 54.75 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.406 0.682 . . . . 0.0 109.651 169.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.468 0.437 0 CA-C-O 122.161 0.981 . . . . 0.0 113.483 -168.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 . . . . . 0 N--CA 1.471 0.599 0 CA-C-O 121.428 0.632 . . . . 0.0 112.185 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -118.33 170.55 8.81 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.07 1.348 . . . . 0.0 111.334 173.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.99 129.16 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.878 1.271 . . . . 0.0 109.713 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 tp -89.39 124.49 34.5 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.539 1.536 . . . . 0.0 108.283 170.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 m -114.58 136.21 53.28 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.859 0.864 . . . . 0.0 109.861 172.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.0 t -141.08 143.43 34.34 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.037 0.935 . . . . 0.0 112.083 -174.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 p -79.15 113.19 17.07 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.112 -0.992 . . . . 0.0 109.402 171.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -139.41 123.47 17.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.258 1.023 . . . . 0.0 113.527 -173.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.2 t30 50.36 50.59 18.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.898 2.079 . . . . 0.0 113.274 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.31 86.16 Favored Glycine 0 CA--C 1.538 1.493 0 N-CA-C 115.996 1.158 . . . . 0.0 115.996 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -139.34 -173.85 3.71 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.204 1.801 . . . . 0.0 111.22 175.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -114.89 134.06 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.097 0.959 . . . . 0.0 111.008 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.7 p -110.74 158.86 18.18 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.592 1.957 . . . . 0.0 111.391 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -139.01 137.28 36.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.029 1.332 . . . . 0.0 111.187 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -138.9 131.03 28.15 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.288 1.435 . . . . 0.0 111.836 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -67.43 132.63 48.02 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.583 -0.698 . . . . 0.0 112.118 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.0 mt -111.0 80.47 1.31 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.853 2.061 . . . . 0.0 105.996 168.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -82.08 139.93 34.15 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.771 1.228 . . . . 0.0 112.023 -170.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.77 127.78 35.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.465 0.706 . . . . 0.0 112.416 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -134.91 114.09 12.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.459 1.503 . . . . 0.0 109.914 170.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 52.01 30.12 7.02 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.829 1.252 . . . . 0.0 114.135 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.56 -3.84 83.8 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.877 1.703 . . . . 0.0 115.296 -176.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -93.12 163.15 13.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.908 1.683 . . . . 0.0 111.44 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.3 mm -108.45 114.94 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.513 1.525 . . . . 0.0 111.934 -168.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -98.78 127.26 44.65 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.18 1.792 . . . . 0.0 109.972 173.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 tt -141.16 130.52 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.249 1.02 . . . . 0.0 111.036 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 t70 51.99 -92.25 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.08 1.752 . . . . 0.0 113.151 -169.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.9 p -130.4 8.31 5.02 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.894 2.077 . . . . 0.0 112.754 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -107.1 148.66 28.51 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.716 2.006 . . . . 0.0 111.097 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.5 tp -123.12 131.41 53.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.425 1.49 . . . . 0.0 110.234 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -129.2 155.6 45.28 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 126.356 1.862 . . . . 0.0 111.38 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.61 -35.06 79.71 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -157.24 171.72 19.92 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.303 1.441 . . . . 0.0 111.956 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.65 -43.18 99.35 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.028 0.931 . . . . 0.0 113.072 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.52 -36.01 82.37 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.598 -0.689 . . . . 0.0 112.246 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.91 92.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.884 0.874 . . . . 0.0 112.625 172.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.43 88.34 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.209 0.604 . . . . 0.0 112.205 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.6 mm -59.6 -50.36 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.042 0.937 . . . . 0.0 110.501 172.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.6 m -59.16 -40.64 86.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.575 1.15 . . . . 0.0 112.266 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.48 -44.23 89.26 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.164 -0.96 . . . . 0.0 111.847 174.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -78.81 1.19 24.13 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.2 mtt -91.2 -37.34 13.39 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.055 -1.028 . . . . 0.0 110.034 166.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -77.02 -28.99 55.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.603 1.161 . . . . 0.0 113.164 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -129.97 157.08 43.29 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.086 1.754 . . . . 0.0 111.703 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.47 144.48 49.67 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.037 -1.04 . . . . 0.0 111.745 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 tt -82.06 -64.41 1.19 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.905 1.282 . . . . 0.0 110.762 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -144.63 -51.39 0.29 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.442 1.097 . . . . 0.0 111.646 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -110.11 -32.37 7.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.69 1.596 . . . . 0.0 111.776 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -152.29 175.17 12.93 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.822 1.249 . . . . 0.0 112.403 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 61.5 p -88.42 162.93 16.23 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.187 1.395 . . . . 0.0 112.177 169.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.26 128.73 37.64 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.307 1.043 . . . . 0.0 110.042 172.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -106.62 -45.61 4.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.749 1.22 . . . . 0.0 113.075 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -154.54 142.59 14.2 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -64.02 144.01 86.45 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.826 2.351 . . . . 0.0 112.3 168.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 167.179 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.922 0 CA-C-O 119.189 -0.434 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.54 -22.66 58.33 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 122.817 2.344 . . . . 0.0 113.377 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 -85.28 -8.62 58.42 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 174.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -87.72 127.94 35.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.823 1.647 . . . . 0.0 112.255 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -119.29 0.21 11.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.084 1.754 . . . . 0.0 113.742 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.22 -140.54 41.68 Favored Glycine 0 CA--C 1.54 1.624 0 CA-C-O 118.744 -1.031 . . . . 0.0 113.707 174.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -67.43 46.25 0.28 Allowed 'Trans proline' 0 CA--C 1.549 1.273 1 C-N-CA 125.395 4.063 . . . . 0.0 116.667 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 tp -71.7 149.6 45.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.787 -1.195 . . . . 0.0 110.34 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.7 m -91.87 156.35 17.55 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.884 0.874 . . . . 0.0 111.454 171.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -53.05 -48.63 67.51 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.739 -0.601 . . . . 0.0 112.548 175.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -57.19 -37.72 72.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.268 0.627 . . . . 0.0 112.597 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -71.48 -41.44 69.34 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.093 0.957 . . . . 0.0 112.252 174.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.52 98.73 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.539 0.736 . . . . 0.0 111.91 173.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.11 -45.85 75.95 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.73 1.212 . . . . 0.0 112.296 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -64.97 -31.35 72.54 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.089 0.858 . . . . 0.0 112.389 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -71.03 -52.37 19.94 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.07 0.548 . . . . 0.0 111.787 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.73 -25.72 59.31 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.63 -26.55 63.53 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.196 0.907 . . . . 0.0 112.25 173.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -80.74 -33.04 35.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.737 1.215 . . . . 0.0 112.478 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -75.92 161.6 75.03 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 125.397 1.479 . . . . 0.0 113.741 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.51 164.33 29.14 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.373 2.715 . . . . 0.0 112.479 169.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.37 145.29 52.06 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.673 1.189 . . . . 0.0 112.692 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 8.26 87.83 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.98 0.8 . . . . 0.0 114.483 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.0 m -77.55 130.51 37.02 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.139 0.969 . . . . 0.0 109.282 169.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -137.41 160.69 38.38 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.2 156.08 43.15 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 125.153 1.381 . . . . 0.0 110.743 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.81 135.08 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.327 1.451 . . . . 0.0 109.275 171.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -140.93 163.13 33.78 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.076 1.351 . . . . 0.0 111.484 -173.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -60.98 136.45 58.09 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.911 0.884 . . . . 0.0 111.081 170.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 N--CA 1.469 0.523 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -170.344 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 CA--C 1.541 0.62 0 CA-C-O 121.304 0.573 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -122.84 170.65 9.87 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.833 1.253 . . . . 0.0 111.781 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.7 t -135.37 128.27 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.996 1.319 . . . . 0.0 110.112 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.5 tp -89.3 120.64 30.83 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.913 1.685 . . . . 0.0 107.618 169.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -112.63 135.34 53.47 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.7 0.8 . . . . 0.0 109.697 173.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.3 m -136.69 142.77 43.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.233 1.013 . . . . 0.0 112.278 -172.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.6 p -82.0 112.03 18.72 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.959 0.885 . . . . 0.0 108.653 169.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.24 135.84 34.34 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.805 1.242 . . . . 0.0 112.2 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 53.61 38.12 27.53 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.694 1.597 . . . . 0.0 113.965 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.26 8.45 74.93 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.302 0.953 . . . . 0.0 115.394 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -132.3 -171.52 2.66 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.009 2.124 . . . . 0.0 110.878 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -121.02 135.34 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.235 1.014 . . . . 0.0 110.459 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.5 p -117.86 157.4 26.71 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.539 1.936 . . . . 0.0 111.151 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.81 137.79 35.27 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.953 1.301 . . . . 0.0 111.12 -178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -140.72 127.26 20.11 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.36 1.464 . . . . 0.0 110.78 -174.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -71.5 134.4 46.5 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.093 -1.005 . . . . 0.0 112.292 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -104.8 81.07 1.71 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 128.175 2.59 . . . . 0.0 105.781 168.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.6 m -79.79 139.43 37.24 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.754 1.222 . . . . 0.0 111.681 -172.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.25 126.1 30.7 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.168 0.587 . . . . 0.0 111.107 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -139.22 109.31 6.4 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.554 1.542 . . . . 0.0 109.637 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 51.96 31.13 8.13 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.937 1.295 . . . . 0.0 114.277 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.33 0.8 90.27 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.692 1.615 . . . . 0.0 115.217 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -106.75 174.01 6.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.898 2.079 . . . . 0.0 111.088 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.9 mm -108.01 120.18 58.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.967 1.307 . . . . 0.0 111.387 -170.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -105.59 128.19 53.47 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.96 1.704 . . . . 0.0 110.09 172.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.9 tt -139.37 127.87 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.841 1.257 . . . . 0.0 110.45 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 54.92 -95.12 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.53 1.532 . . . . 0.0 111.411 -167.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.7 p -119.73 -13.34 9.13 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.325 1.45 . . . . 0.0 113.372 169.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -80.97 135.63 35.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.818 1.647 . . . . 0.0 111.39 -173.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.9 tp -106.44 134.08 50.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.783 1.233 . . . . 0.0 110.781 171.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -131.84 154.34 49.26 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.65 1.98 . . . . 0.0 110.966 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.9 -35.78 82.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -156.46 172.14 19.05 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.544 1.538 . . . . 0.0 111.62 -173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.31 -43.76 98.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.871 0.868 . . . . 0.0 112.935 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.5 -35.45 80.5 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.644 -0.66 . . . . 0.0 112.289 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.753 0.821 . . . . 0.0 112.674 172.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.68 86.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.279 0.632 . . . . 0.0 112.184 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -60.01 -49.77 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.937 0.895 . . . . 0.0 110.342 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.6 m -59.03 -38.79 80.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.675 1.19 . . . . 0.0 112.431 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -60.95 -46.49 90.5 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.209 -0.932 . . . . 0.0 111.846 173.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -77.8 -5.73 51.76 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.8 mmt -76.81 -36.36 56.98 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.984 -1.073 . . . . 0.0 110.144 166.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -88.0 -28.33 21.49 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.01 1.324 . . . . 0.0 113.42 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -128.29 146.71 50.67 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.503 1.521 . . . . 0.0 111.996 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -65.67 136.88 56.87 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.493 -0.754 . . . . 0.0 111.476 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.29 -62.43 1.66 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.4 1.08 . . . . 0.0 110.757 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -142.9 -49.09 0.33 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.517 1.127 . . . . 0.0 111.23 173.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -110.37 -33.68 6.56 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.265 1.426 . . . . 0.0 111.578 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -155.8 174.93 14.61 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.332 1.053 . . . . 0.0 113.285 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.2 m -84.4 158.92 20.94 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.386 1.474 . . . . 0.0 112.218 174.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.4 mt -64.5 146.12 55.06 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.704 1.201 . . . . 0.0 110.979 169.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -136.2 -41.65 0.65 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -149.88 144.76 18.0 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.18 154.77 56.98 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.657 2.238 . . . . 0.0 111.39 170.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp . . . . . 0 CA--C 1.548 0.872 0 C-N-CA 123.95 0.9 . . . . 0.0 112.057 169.951 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.53 -21.1 46.75 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 122.931 2.421 . . . . 0.0 113.608 -174.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -91.67 -4.64 54.92 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.141 1.776 . . . . 0.0 114.343 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -94.88 128.48 41.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.081 1.309 . . . . 0.0 113.055 -171.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -115.13 -1.45 13.0 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -175.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.15 -141.18 37.14 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.913 -1.117 . . . . 0.0 112.533 -177.032 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.62 56.56 5.64 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 124.487 3.458 . . . . 0.0 113.406 -175.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.4 141.27 45.1 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.798 1.239 . . . . 0.0 110.607 173.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.8 m -87.97 159.82 18.16 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.245 1.018 . . . . 0.0 111.799 173.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -51.41 -52.08 49.18 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.632 0.773 . . . . 0.0 112.651 176.006 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -57.11 -37.27 71.72 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -175.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.46 -42.56 74.72 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.202 1.001 . . . . 0.0 112.343 175.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.36 93.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.489 0.716 . . . . 0.0 111.991 174.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.89 -42.46 85.49 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.593 1.157 . . . . 0.0 112.342 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -65.05 -39.04 92.72 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.034 0.834 . . . . 0.0 111.952 175.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 m -70.21 -44.51 68.46 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mp -76.43 -17.62 59.24 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.7 tp -78.38 -30.19 47.76 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.733 0.813 . . . . 0.0 111.826 168.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -73.75 -33.48 64.31 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.548 1.139 . . . . 0.0 112.455 171.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -83.47 162.12 54.52 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.902 1.681 . . . . 0.0 113.299 178.345 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -73.71 166.96 28.44 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.335 2.69 . . . . 0.0 112.624 172.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.11 141.08 41.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.586 1.554 . . . . 0.0 113.128 175.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.7 2.17 89.9 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.646 1.117 . . . . 0.0 115.033 -177.008 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.4 m -75.35 129.81 37.98 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.324 1.062 . . . . 0.0 109.176 168.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -135.05 162.17 33.23 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -177.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.88 160.5 41.71 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.208 1.403 . . . . 0.0 111.036 174.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.6 t -122.75 138.68 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.257 1.023 . . . . 0.0 109.533 169.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -134.13 157.87 45.09 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.342 1.457 . . . . 0.0 111.612 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -63.9 135.35 56.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.192 0.997 . . . . 0.0 110.104 169.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -169.389 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 . . . . . 0 CA--C 1.541 0.615 0 CA-C-O 121.286 0.565 . . . . 0.0 112.188 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -122.7 174.03 7.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.048 1.339 . . . . 0.0 111.369 173.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -138.36 128.11 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.623 1.169 . . . . 0.0 109.841 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -89.55 127.99 35.95 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.361 1.464 . . . . 0.0 107.963 170.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -119.87 137.81 53.79 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.472 0.709 . . . . 0.0 110.147 172.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 t -141.0 144.78 35.23 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.935 0.894 . . . . 0.0 112.23 -174.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.9 p -81.33 110.71 17.03 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.08 -1.013 . . . . 0.0 109.303 172.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -137.26 109.78 7.45 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -170.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 48.0 t30 54.75 57.67 5.49 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.614 1.966 . . . . 0.0 113.348 174.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.41 9.41 86.85 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 115.811 1.084 . . . . 0.0 115.811 172.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -143.56 177.78 8.24 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.241 2.216 . . . . 0.0 110.532 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.68 132.66 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.287 1.035 . . . . 0.0 110.348 173.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.7 p -110.48 158.47 18.47 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.327 1.851 . . . . 0.0 111.37 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -140.45 137.86 34.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.231 1.413 . . . . 0.0 111.028 -178.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -140.11 127.54 21.4 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.024 1.33 . . . . 0.0 111.758 -174.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -67.03 131.0 44.95 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.616 0.766 . . . . 0.0 111.632 176.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.3 mt -108.6 83.11 1.71 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.904 2.081 . . . . 0.0 106.325 169.104 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.7 m -82.87 137.59 34.21 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 124.55 1.14 . . . . 0.0 111.827 -171.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.57 129.27 34.93 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.3 0.64 . . . . 0.0 112.661 -177.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -135.46 111.78 9.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.388 1.475 . . . . 0.0 109.947 171.129 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 51.9 30.19 6.9 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.875 1.27 . . . . 0.0 114.269 -176.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.04 -7.56 77.25 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.921 1.724 . . . . 0.0 115.331 -176.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -86.65 162.32 18.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.489 1.516 . . . . 0.0 111.368 172.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.1 mm -112.51 112.35 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.912 1.685 . . . . 0.0 111.318 -169.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -95.82 127.61 42.0 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.315 1.846 . . . . 0.0 110.058 174.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 tt -142.62 130.55 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.319 1.047 . . . . 0.0 111.178 175.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t70 51.75 -93.0 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.069 1.748 . . . . 0.0 113.12 -169.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.5 p -129.77 8.34 5.3 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.825 2.05 . . . . 0.0 112.813 177.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -106.24 149.31 27.0 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.555 1.942 . . . . 0.0 111.024 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.1 tp -124.29 128.25 48.87 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.387 1.475 . . . . 0.0 110.005 172.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -124.32 156.15 37.47 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.061 1.744 . . . . 0.0 111.204 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.63 -34.22 77.4 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -156.76 172.56 18.39 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.306 1.442 . . . . 0.0 111.416 -172.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -48.51 81.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.133 0.973 . . . . 0.0 112.094 -177.386 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.21 -32.15 73.62 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.057 0.943 . . . . 0.0 112.683 -175.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.52 84.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.574 0.75 . . . . 0.0 112.571 171.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.66 79.83 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.554 0.616 . . . . 0.0 111.894 174.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.3 mm -57.87 -50.81 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 121.536 0.684 . . . . 0.0 109.987 172.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.3 m -59.45 -40.81 88.04 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.311 1.444 . . . . 0.0 112.138 -178.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.31 -46.44 90.29 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.419 -0.8 . . . . 0.0 111.835 173.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -78.06 -6.5 54.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.8 mmt -77.74 -37.52 49.08 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.903 -1.123 . . . . 0.0 110.058 166.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -85.92 -28.52 24.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.856 1.262 . . . . 0.0 113.502 -178.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -129.2 148.28 51.12 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.582 1.553 . . . . 0.0 111.786 -176.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.22 137.16 57.8 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.522 -0.736 . . . . 0.0 111.512 179.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 tt -75.5 -62.39 1.59 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.482 1.113 . . . . 0.0 110.584 -175.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -144.48 -46.04 0.25 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.703 1.201 . . . . 0.0 111.211 172.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -115.5 -31.39 5.91 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.944 1.698 . . . . 0.0 111.743 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -155.14 172.37 18.26 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.358 1.063 . . . . 0.0 113.119 175.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.0 m -83.96 156.78 22.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.094 1.358 . . . . 0.0 112.036 173.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.4 mt -63.32 146.03 54.33 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.417 1.087 . . . . 0.0 110.725 169.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -132.42 -42.41 0.95 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -177.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -154.87 147.66 17.94 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.26 149.2 35.31 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.787 2.324 . . . . 0.0 111.995 173.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.2 tp . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 123.703 0.801 . . . . 0.0 109.589 167.255 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.009 0 N-CA-C 107.596 -2.202 . . . . 0.0 107.596 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 5.4 m -60.89 -175.94 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 125.177 1.391 . . . . 0.0 113.256 171.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -30.44 -34.98 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.094 1.758 . . . . 0.0 112.509 146.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 82.86 -33.46 2.85 Favored Glycine 0 N--CA 1.48 1.585 0 C-N-CA 125.251 1.405 . . . . 0.0 115.31 143.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.99 14.46 8.49 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 128.302 2.641 . . . . 0.0 111.535 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.5 m -82.93 92.45 7.32 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 116.627 -2.029 . . . . 0.0 109.304 107.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -93.02 -124.01 3.55 Favored Glycine 0 CA--C 1.533 1.179 0 N-CA-C 105.969 -2.852 . . . . 0.0 105.969 127.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.614 ' HB2' ' H ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -18.65 120.38 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.135 0 CA-C-N 113.302 -1.449 . . . . 0.0 112.959 107.183 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.82 103.86 15.77 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 114.456 -2.898 . . . . 0.0 108.337 98.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.614 ' H ' ' HB2' ' A' ' 1' ' ' MET . 0.3 OUTLIER 47.0 42.47 12.54 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 107.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . 0.257 . . 51.75 18.09 0.7 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 120.452 3.501 . . . . 0.0 120.452 105.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.48 148.25 24.17 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.799 133.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.07 156.49 10.25 Favored Pre-proline 0 CA--C 1.55 0.963 0 C-N-CA 123.814 0.846 . . . . 0.0 112.528 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -60.99 -30.44 89.85 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 121.841 1.694 . . . . 0.0 112.703 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.1 p-90 -80.27 -6.1 57.33 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 114.833 1.42 . . . . 0.0 114.833 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -90.43 129.48 36.61 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 121.165 1.802 . . . . 0.0 112.709 -177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -121.76 8.36 9.99 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.728 1.611 . . . . 0.0 114.113 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.62 -144.66 45.88 Favored Glycine 0 CA--C 1.541 1.668 0 O-C-N 120.565 -1.334 . . . . 0.0 113.722 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -76.32 55.61 4.7 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 124.599 3.533 . . . . 0.0 113.48 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 tp -76.79 138.96 40.2 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.847 1.259 . . . . 0.0 110.688 174.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 m -81.02 163.04 23.54 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.259 -0.901 . . . . 0.0 112.827 173.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -55.47 -48.16 74.98 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.647 -0.658 . . . . 0.0 112.323 173.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 m -59.95 -39.17 84.66 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.394 0.678 . . . . 0.0 112.051 -174.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.9 -42.26 63.75 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.754 1.621 . . . . 0.0 111.962 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.45 -44.64 89.28 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.018 0.527 . . . . 0.0 111.496 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -67.76 -40.7 84.02 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.427 1.091 . . . . 0.0 112.278 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -71.91 -21.03 61.69 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.9 m -80.73 -53.63 6.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 124.152 0.981 . . . . 0.0 111.27 170.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.5 mp -73.16 -30.24 63.43 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 118.113 -0.946 . . . . 0.0 113.485 -173.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.45 -16.87 63.17 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 119.784 1.175 . . . . 0.0 112.963 170.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -95.35 -14.22 24.07 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.316 1.446 . . . . 0.0 113.118 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mmm -101.59 157.56 33.44 Favored Pre-proline 0 CA--C 1.54 0.566 0 C-N-CA 126.195 1.798 . . . . 0.0 110.614 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -68.11 163.48 35.8 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 121.901 1.734 . . . . 0.0 111.672 172.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.44 139.4 57.12 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.908 1.683 . . . . 0.0 113.517 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.96 10.59 78.4 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.727 1.156 . . . . 0.0 113.979 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -83.03 130.44 35.14 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.324 1.062 . . . . 0.0 108.679 169.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -135.61 160.16 39.37 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -174.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -145.12 159.23 43.31 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.132 1.373 . . . . 0.0 111.025 172.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.0 t -121.02 137.75 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 124.698 1.199 . . . . 0.0 109.541 169.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -138.62 161.09 37.99 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.722 1.609 . . . . 0.0 111.305 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.28 146.96 52.35 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.26 1.024 . . . . 0.0 111.12 168.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.6 t -84.86 117.64 24.01 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 121.228 -0.92 . . . . 0.0 113.178 -165.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.24 3.19 0.11 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -177.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.6 m -134.82 -11.41 2.31 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -153.44 98.77 2.68 Favored Pre-proline 0 N--CA 1.467 0.402 0 CA-C-O 118.512 -0.756 . . . . 0.0 110.427 -165.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_endo -61.73 128.63 25.05 Favored 'Trans proline' 0 CA--C 1.535 0.535 0 C-N-CA 121.353 1.369 . . . . 0.0 111.216 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.88 -14.96 64.17 Favored Glycine 0 CA--C 1.541 1.657 0 CA-C-O 118.274 -1.292 . . . . 0.0 115.362 -176.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -80.68 160.29 25.05 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.426 1.613 . . . . 0.0 109.711 162.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -118.19 171.24 8.25 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.106 -0.996 . . . . 0.0 112.125 168.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.95 128.86 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 125.064 1.346 . . . . 0.0 109.743 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.2 tp -86.79 127.95 35.02 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.816 1.646 . . . . 0.0 107.864 166.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.7 m -117.64 140.77 49.19 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.197 0.999 . . . . 0.0 109.64 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.32 143.26 41.99 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.136 1.374 . . . . 0.0 113.039 -170.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 38.9 p -87.36 112.6 22.27 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.403 -0.81 . . . . 0.0 109.705 165.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -147.64 138.05 23.12 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.457 1.103 . . . . 0.0 111.121 -172.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 50.76 46.81 25.47 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.863 1.265 . . . . 0.0 112.931 173.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.03 9.86 54.86 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 124.946 1.26 . . . . 0.0 116.063 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -135.22 -167.19 1.96 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.855 1.662 . . . . 0.0 110.682 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 49.0 t -122.03 136.71 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.133 0.973 . . . . 0.0 110.255 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.8 p -114.65 161.42 18.13 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.316 2.246 . . . . 0.0 111.018 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -144.88 131.34 19.77 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.301 1.04 . . . . 0.0 111.133 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -131.87 136.18 47.24 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.479 1.511 . . . . 0.0 110.036 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -82.61 135.94 34.93 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.337 -0.852 . . . . 0.0 111.68 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.8 mt -109.9 81.62 1.47 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.711 2.404 . . . . 0.0 106.755 171.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.9 m -78.87 145.65 34.05 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.162 0.985 . . . . 0.0 111.591 -173.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.42 124.57 32.16 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -136.45 107.88 6.9 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.493 1.117 . . . . 0.0 109.73 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . 0.253 36.8 mt-10 48.9 31.83 3.43 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -171.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.34 -4.28 84.22 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 120.818 -1.176 . . . . 0.0 114.87 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -94.78 174.85 6.9 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.613 1.965 . . . . 0.0 110.862 171.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.2 mm -112.28 115.73 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.204 1.402 . . . . 0.0 110.711 -171.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -98.11 130.07 44.9 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.528 1.531 . . . . 0.0 109.888 172.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.4 tt -142.24 127.17 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.131 0.972 . . . . 0.0 110.557 173.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.9 t70 46.71 -115.12 0.57 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 123.24 0.616 . . . . 0.0 109.862 -160.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.7 p -93.68 -20.48 20.13 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 125.755 1.622 . . . . 0.0 113.223 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -77.13 146.67 37.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.579 1.552 . . . . 0.0 112.756 -171.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -124.97 124.68 42.53 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 124.344 1.058 . . . . 0.0 110.484 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -122.03 153.36 38.7 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.759 1.624 . . . . 0.0 110.815 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.04 -36.78 84.7 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -157.33 173.74 16.47 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.451 1.5 . . . . 0.0 110.932 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.04 -40.78 98.72 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.75 -33.54 74.09 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 118.904 0.774 . . . . 0.0 112.112 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.26 90.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.463 0.705 . . . . 0.0 112.804 169.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.55 -40.32 80.72 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.677 0.671 . . . . 0.0 112.02 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.5 mm -62.71 -47.68 91.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.71 -0.619 . . . . 0.0 110.664 173.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.8 m -61.08 -39.54 90.31 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.462 0.705 . . . . 0.0 111.998 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -58.38 -45.14 88.89 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.151 0.887 . . . . 0.0 112.189 175.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -82.22 6.66 15.99 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.1 mtt -87.25 -41.44 13.69 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.04 -1.038 . . . . 0.0 111.258 160.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -73.89 -33.42 64.01 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.046 0.938 . . . . 0.0 112.551 177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -122.65 156.98 33.21 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.279 1.432 . . . . 0.0 111.971 -177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -71.53 146.56 48.41 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.461 -0.774 . . . . 0.0 111.513 172.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.83 -55.79 3.49 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.414 1.086 . . . . 0.0 111.343 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -152.49 -46.49 0.1 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.248 1.419 . . . . 0.0 110.897 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -119.37 -20.11 7.99 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 175.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -160.02 174.96 13.56 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.873 1.269 . . . . 0.0 109.988 177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.9 p -90.4 160.37 16.1 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.966 0.889 . . . . 0.0 112.333 166.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.5 mt -65.48 138.76 58.31 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.256 1.422 . . . . 0.0 110.612 173.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.0 mttp -126.08 -37.44 2.25 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -176.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -157.38 145.17 13.95 Favored Pre-proline 0 CA--C 1.546 0.806 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.1 140.7 34.88 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.964 2.443 . . . . 0.0 112.015 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.29 131.62 50.94 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.609 -0.682 . . . . 0.0 110.797 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -65.71 156.19 33.74 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.347 1.459 . . . . 0.0 112.563 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 127.226 2.21 . . . . 0.0 110.18 175.018 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 80.1 p -81.19 -22.04 39.18 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 25.7 m 57.1 16.94 3.18 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.327 1.851 . . . . 0.0 115.159 -172.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 157.98 152.91 6.53 Favored Glycine 0 CA--C 1.532 1.136 0 C-N-CA 125.335 1.445 . . . . 0.0 112.994 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 20.9 m -63.11 -29.08 70.52 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 49.6 p -64.81 -23.36 67.22 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.388 1.075 . . . . 0.0 113.219 172.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -72.42 -22.69 78.81 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 124.658 1.123 . . . . 0.0 113.964 173.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt -78.55 -37.24 43.25 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.505 1.153 . . . . 0.0 111.727 173.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.95 -15.43 51.33 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.444 1.098 . . . . 0.0 113.853 175.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 56.47 16.84 2.66 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.368 2.267 . . . . 0.0 114.755 -171.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -156.96 156.03 32.33 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.756 1.623 . . . . 0.0 112.273 -178.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.13 156.71 36.27 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.942 1.697 . . . . 0.0 110.789 170.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.83 145.39 78.91 Favored Pre-proline 0 CA--C 1.547 0.859 0 C-N-CA 124.131 0.972 . . . . 0.0 111.912 175.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -63.79 -32.44 67.4 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 122.809 2.34 . . . . 0.0 113.15 -170.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -77.28 -10.71 59.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.377 1.471 . . . . 0.0 114.194 174.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -86.21 132.06 34.09 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 120.52 1.509 . . . . 0.0 111.741 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -121.72 3.7 10.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.836 1.655 . . . . 0.0 114.426 -176.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -137.41 32.31 Favored Glycine 0 CA--C 1.537 1.42 0 O-C-N 120.796 -1.19 . . . . 0.0 113.597 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.72 50.21 3.17 Favored 'Trans proline' 0 CA--C 1.546 1.121 0 C-N-CA 124.713 3.609 . . . . 0.0 113.668 -173.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.2 tp -74.14 151.83 39.98 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.88 1.272 . . . . 0.0 110.726 172.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.7 m -106.86 162.74 13.54 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.003 1.321 . . . . 0.0 111.958 175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 67.9 mtt-85 -52.99 -47.17 68.44 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.824 0.849 . . . . 0.0 112.636 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.1 m -59.89 -38.58 82.67 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.811 0.844 . . . . 0.0 112.4 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -73.18 -39.5 65.55 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.039 0.936 . . . . 0.0 112.034 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.98 -42.66 99.9 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.452 0.701 . . . . 0.0 111.892 173.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.78 -48.81 77.52 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.383 1.073 . . . . 0.0 111.893 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.78 -31.09 72.16 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.629 0.649 . . . . 0.0 112.541 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -71.01 -48.51 52.73 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.533 0.606 . . . . 0.0 112.096 175.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -81.41 -26.76 35.13 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -173.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.8 tp -63.8 -24.99 67.98 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.313 0.96 . . . . 0.0 112.373 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -88.73 -11.67 44.45 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.511 1.525 . . . . 0.0 113.744 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.1 mmm -100.36 161.45 24.03 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 125.591 1.557 . . . . 0.0 113.362 -176.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -65.53 164.77 24.99 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.448 2.765 . . . . 0.0 112.675 171.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.64 140.38 51.29 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.116 1.367 . . . . 0.0 112.756 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.64 11.46 85.24 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.202 0.906 . . . . 0.0 114.057 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.8 m -74.64 127.22 32.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 118.112 0.956 . . . . 0.0 109.004 169.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -132.81 160.07 37.96 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.01 1.115 . . . . 0.0 114.01 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.55 159.42 43.14 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 125.037 1.335 . . . . 0.0 110.959 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -126.17 138.41 54.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 124.816 1.246 . . . . 0.0 109.727 170.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.8 ptt85 -136.74 160.4 38.96 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.131 1.372 . . . . 0.0 111.977 -175.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.3 133.67 56.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.845 0.858 . . . . 0.0 110.439 169.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -76.23 135.78 39.69 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.369 1.248 . . . . 0.0 114.369 -169.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.5 m -62.06 120.84 11.64 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.7 1.2 . . . . 0.0 111.031 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.2 m 52.78 23.93 3.0 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.688 1.595 . . . . 0.0 115.208 -178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.3 m -133.08 82.13 55.21 Favored Pre-proline 0 N--CA 1.475 0.805 0 C-N-CA 125.244 1.418 . . . . 0.0 110.965 -173.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -58.59 134.0 58.07 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.257 2.638 . . . . 0.0 113.628 -174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.25 -1.72 63.84 Favored Glycine 0 CA--C 1.54 1.631 0 C-N-CA 124.62 1.105 . . . . 0.0 115.663 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -102.75 164.31 11.71 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.958 1.303 . . . . 0.0 111.7 174.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -127.82 170.3 12.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.166 1.386 . . . . 0.0 112.077 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -137.04 130.0 44.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.509 1.123 . . . . 0.0 110.111 176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.2 tp -90.73 131.93 36.11 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.992 1.717 . . . . 0.0 108.603 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -123.41 141.73 51.7 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.538 0.735 . . . . 0.0 110.536 170.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.4 t -142.59 145.84 33.97 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.017 0.927 . . . . 0.0 112.651 -176.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 p -82.88 102.33 11.58 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 122.423 1.106 . . . . 0.0 110.574 173.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.39 141.31 49.84 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.683 1.193 . . . . 0.0 112.648 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 53.55 35.7 21.53 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.506 1.522 . . . . 0.0 113.539 170.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.48 9.22 77.6 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.37 0.908 . . . . 0.0 115.37 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -131.09 -169.17 2.12 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.209 2.204 . . . . 0.0 111.024 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.34 130.94 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.576 1.15 . . . . 0.0 110.069 174.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 42.0 p -106.27 158.36 16.92 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 126.198 1.799 . . . . 0.0 111.379 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -142.12 138.48 31.68 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.055 1.342 . . . . 0.0 111.585 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -142.42 129.01 20.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.386 1.474 . . . . 0.0 112.108 -175.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -76.93 129.87 36.75 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.573 -0.704 . . . . 0.0 111.437 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.55 104.98 15.43 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.952 2.101 . . . . 0.0 107.568 170.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.7 m -94.81 141.08 29.04 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.308 1.443 . . . . 0.0 111.962 -171.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.53 122.25 32.52 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.656 -0.653 . . . . 0.0 111.554 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -136.62 126.86 26.4 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.756 1.222 . . . . 0.0 110.509 170.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 51.93 28.76 5.41 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.257 1.423 . . . . 0.0 114.674 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.94 0.27 84.87 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.497 1.522 . . . . 0.0 115.273 -176.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -97.36 158.94 15.21 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.315 1.846 . . . . 0.0 111.848 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.2 mm -92.92 118.55 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 125.322 1.449 . . . . 0.0 109.932 177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -103.4 148.33 26.03 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 125.911 1.684 . . . . 0.0 110.885 170.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.9 tt -149.35 116.8 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.386 1.074 . . . . 0.0 109.017 169.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.3 t0 52.55 -102.09 0.13 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.647 1.579 . . . . 0.0 112.73 -168.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 56.9 p -109.95 -0.98 17.96 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.928 1.691 . . . . 0.0 113.734 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 63.5 m-70 -92.1 148.47 22.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.777 1.631 . . . . 0.0 110.676 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 23.7 tp -137.45 135.11 36.56 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.42 1.488 . . . . 0.0 111.283 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -140.47 156.88 46.21 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.366 1.867 . . . . 0.0 111.861 -173.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.13 -36.49 84.44 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.486 -0.759 . . . . 0.0 113.036 177.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -156.35 172.41 18.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.232 1.413 . . . . 0.0 112.386 -172.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.9 mt -63.02 -42.32 99.76 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.08 0.952 . . . . 0.0 113.026 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -63.51 -35.58 80.93 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.828 0.74 . . . . 0.0 112.203 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.34 -39.53 89.28 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.939 0.896 . . . . 0.0 112.628 172.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.29 -40.98 90.42 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.202 0.601 . . . . 0.0 112.347 175.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.2 mm -60.33 -50.31 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.28 1.032 . . . . 0.0 110.482 171.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.1 m -59.73 -38.85 82.81 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.73 1.212 . . . . 0.0 112.409 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -58.16 -43.02 87.2 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.068 -1.02 . . . . 0.0 111.998 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -80.64 6.22 13.29 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.1 mtt -96.93 -37.77 10.07 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.507 1.123 . . . . 0.0 109.846 166.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -74.52 -29.24 61.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.631 1.172 . . . . 0.0 113.024 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -129.28 159.41 36.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.231 1.812 . . . . 0.0 111.536 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -75.88 145.84 40.22 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 120.959 -1.088 . . . . 0.0 111.5 174.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.68 -64.82 1.09 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.762 1.225 . . . . 0.0 110.863 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -139.93 -51.52 0.5 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.47 1.108 . . . . 0.0 111.726 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -111.84 -34.51 5.99 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.104 1.362 . . . . 0.0 111.622 177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 t -154.19 -174.95 5.17 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.864 1.266 . . . . 0.0 112.063 173.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 61.6 p -85.81 169.29 13.5 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.524 1.529 . . . . 0.0 113.025 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 51.7 mt -76.07 134.43 40.06 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.412 1.485 . . . . 0.0 108.964 168.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -126.95 -37.81 2.08 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -169.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -152.37 146.44 18.38 Favored Pre-proline 0 N--CA 1.474 0.73 0 CA-C-N 118.933 0.788 . . . . 0.0 112.821 172.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.6 147.19 50.91 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.35 2.033 . . . . 0.0 111.341 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.0 tp -63.58 143.61 57.69 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 121.663 -0.648 . . . . 0.0 110.317 169.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -86.87 143.82 27.27 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.859 0.864 . . . . 0.0 112.204 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.7 ptt85 . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.743 2.017 . . . . 0.0 112.589 173.475 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.171 -0.372 . . . . 0.0 112.171 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 32.9 t -72.62 150.0 43.44 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.06 0.944 . . . . 0.0 112.736 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 67.0 p -82.09 -10.86 59.06 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.077 1.351 . . . . 0.0 113.549 170.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -69.98 155.37 53.18 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.559 1.076 . . . . 0.0 113.888 177.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 38.8 t -151.49 152.66 33.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.131 1.372 . . . . 0.0 111.827 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 88.5 p -79.03 -14.93 58.88 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.776 1.231 . . . . 0.0 113.373 170.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 75.68 4.83 77.1 Favored Glycine 0 CA--C 1.54 1.626 0 C-N-CA 125.005 1.288 . . . . 0.0 114.981 -174.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.8 ttp -73.81 142.04 46.18 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.753 1.276 . . . . 0.0 111.935 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.54 113.37 9.7 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.898 1.279 . . . . 0.0 111.257 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -103.45 -0.13 30.36 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.101 1.36 . . . . 0.0 113.791 -174.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.44 147.01 49.95 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.188 0.995 . . . . 0.0 112.879 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.0 -178.71 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.291 1.836 . . . . 0.0 114.682 -174.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.79 150.15 95.0 Favored Pre-proline 0 CA--C 1.549 0.924 0 O-C-N 121.181 -0.949 . . . . 0.0 111.69 173.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -63.95 -28.18 66.66 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.961 2.441 . . . . 0.0 113.506 -173.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -74.73 -10.63 59.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.792 1.237 . . . . 0.0 114.282 173.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -85.77 131.73 34.26 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 120.392 1.451 . . . . 0.0 111.711 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -123.13 8.45 9.21 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.61 1.564 . . . . 0.0 114.409 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 69.08 -145.4 42.94 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 120.757 -1.214 . . . . 0.0 113.575 177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.92 54.9 5.06 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 124.458 3.439 . . . . 0.0 113.159 -176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.4 tp -72.55 143.35 48.33 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.687 1.195 . . . . 0.0 110.36 172.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -91.74 160.71 15.21 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.43 1.092 . . . . 0.0 111.941 174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -50.72 -52.84 36.54 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.775 0.83 . . . . 0.0 112.688 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 m -58.18 -34.77 70.69 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 -175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -73.66 -42.39 61.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.396 1.078 . . . . 0.0 112.433 174.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.04 99.7 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.522 0.729 . . . . 0.0 111.971 174.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.29 -45.06 81.72 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.813 1.245 . . . . 0.0 111.811 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -64.52 -30.01 71.04 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.963 0.801 . . . . 0.0 112.935 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.7 m -73.67 -50.51 20.58 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.267 0.627 . . . . 0.0 111.583 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.0 mp -77.3 -28.01 53.16 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -174.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.5 tp -64.77 -24.36 67.53 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.322 0.965 . . . . 0.0 112.331 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -91.04 -10.91 40.44 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 125.499 1.52 . . . . 0.0 113.812 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.5 mmm -97.35 161.68 25.23 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.525 1.53 . . . . 0.0 113.041 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.76 163.56 30.13 Favored 'Trans proline' 0 CA--C 1.538 0.686 0 C-N-CA 123.287 2.658 . . . . 0.0 112.382 170.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.32 143.96 51.7 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.602 1.161 . . . . 0.0 112.717 177.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.37 9.56 86.84 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 124.198 0.904 . . . . 0.0 114.431 -176.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.6 m -77.17 128.75 34.94 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.405 1.103 . . . . 0.0 109.537 169.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -135.24 160.09 39.48 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -146.42 158.5 43.9 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.269 1.427 . . . . 0.0 110.602 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.8 t -123.8 137.68 56.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 124.565 1.146 . . . . 0.0 109.644 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -137.51 156.13 48.48 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.223 1.409 . . . . 0.0 111.73 -174.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -64.07 134.5 55.07 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.12 0.568 . . . . 0.0 109.62 168.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.0 t -66.85 143.45 56.87 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -167.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.2 m -65.22 -26.88 68.31 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.704 1.202 . . . . 0.0 111.839 171.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.6 m -76.21 -51.88 11.18 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.68 0.792 . . . . 0.0 112.771 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.9 m -151.66 140.84 13.92 Favored Pre-proline 0 N--CA 1.476 0.825 0 C-N-CA 124.984 1.314 . . . . 0.0 111.937 -173.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -69.1 146.16 63.32 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 122.752 2.302 . . . . 0.0 111.711 174.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.63 -7.56 76.11 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 124.29 0.948 . . . . 0.0 114.656 -177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -105.66 157.51 17.37 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.926 1.69 . . . . 0.0 108.186 167.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -126.51 167.66 15.32 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -169.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.4 t -137.07 128.29 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 124.865 1.266 . . . . 0.0 109.867 176.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.5 tp -88.66 122.72 32.4 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 125.482 1.513 . . . . 0.0 107.9 169.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 m -112.1 137.4 50.21 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.281 0.632 . . . . 0.0 109.756 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.5 t -139.88 143.23 36.61 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.047 0.939 . . . . 0.0 112.087 -175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.0 p -80.38 112.84 18.1 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.194 -0.941 . . . . 0.0 109.351 170.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -137.52 136.98 38.16 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.619 1.168 . . . . 0.0 112.656 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 55.32 33.08 19.98 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.368 1.467 . . . . 0.0 113.958 172.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.04 7.75 86.74 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.667 1.127 . . . . 0.0 115.194 -177.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.85 -170.45 2.45 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.965 2.106 . . . . 0.0 111.094 176.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.6 t -119.7 135.95 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.115 0.966 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.1 p -117.22 158.1 24.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.577 1.951 . . . . 0.0 111.316 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -139.73 136.6 34.34 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.085 1.354 . . . . 0.0 111.243 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -138.19 124.26 20.23 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.167 1.387 . . . . 0.0 111.541 -174.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -78.57 138.17 38.24 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.411 0.684 . . . . 0.0 112.533 -176.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.0 mt -118.93 100.81 7.6 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 127.495 2.318 . . . . 0.0 107.638 178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 64.6 m -94.03 139.88 30.4 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.352 1.061 . . . . 0.0 111.71 -174.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.07 122.21 29.77 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.689 -0.632 . . . . 0.0 111.824 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -131.23 119.79 22.32 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.136 1.374 . . . . 0.0 109.937 170.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 51.38 30.44 6.11 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.089 1.355 . . . . 0.0 113.675 -174.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.74 0.38 87.83 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.709 1.623 . . . . 0.0 115.427 -176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 mttm -101.77 160.83 14.13 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.315 1.846 . . . . 0.0 111.562 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.4 mm -98.78 111.83 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.661 1.584 . . . . 0.0 111.678 -169.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -96.86 121.96 39.3 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.615 1.966 . . . . 0.0 110.281 174.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 tt -141.31 125.67 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.606 1.162 . . . . 0.0 110.355 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.1 t0 45.86 -112.57 0.36 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.478 1.511 . . . . 0.0 112.833 -172.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.5 p -97.5 -1.74 43.43 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.222 1.409 . . . . 0.0 114.108 177.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -95.95 168.3 10.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.905 1.682 . . . . 0.0 112.257 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 tp -145.79 128.36 16.08 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.576 1.55 . . . . 0.0 108.904 169.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -125.86 153.89 43.47 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.462 1.505 . . . . 0.0 111.366 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.97 -35.54 80.87 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -157.35 172.36 18.73 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.645 1.578 . . . . 0.0 111.516 -174.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 62.7 mt -62.48 -41.73 98.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.807 0.843 . . . . 0.0 112.985 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.87 -35.32 80.24 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.407 -0.808 . . . . 0.0 112.205 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.62 93.69 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.791 0.836 . . . . 0.0 112.59 171.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.07 -45.01 82.82 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.166 0.586 . . . . 0.0 111.997 175.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.4 mm -57.78 -49.1 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.035 0.934 . . . . 0.0 110.558 173.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 88.1 m -60.72 -41.66 95.74 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.584 1.154 . . . . 0.0 112.168 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -59.43 -43.65 93.05 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.088 -1.007 . . . . 0.0 111.66 174.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -78.08 3.32 15.24 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 175.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.1 mtt -95.05 -38.64 10.55 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.503 1.121 . . . . 0.0 110.032 166.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -74.46 -28.79 61.2 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.562 1.145 . . . . 0.0 113.038 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -130.02 157.5 42.19 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.258 1.823 . . . . 0.0 111.289 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -74.38 144.49 44.37 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.061 -1.025 . . . . 0.0 111.592 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -82.6 -64.66 1.13 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.699 1.2 . . . . 0.0 110.867 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -139.72 -55.22 0.56 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.678 1.191 . . . . 0.0 111.588 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -104.64 -35.68 7.73 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.004 1.322 . . . . 0.0 111.569 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.3 t -153.83 178.4 9.95 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.499 1.119 . . . . 0.0 112.636 177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 68.5 p -80.98 164.54 22.47 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.653 1.581 . . . . 0.0 112.995 171.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.4 mt -73.14 138.69 45.9 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.39 1.476 . . . . 0.0 109.439 168.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -130.78 -39.94 1.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 -170.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -150.02 144.42 17.6 Favored Pre-proline 0 CA--C 1.543 0.686 0 CA-C-N 118.794 0.725 . . . . 0.0 112.938 175.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.46 149.23 55.84 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.405 2.07 . . . . 0.0 111.164 172.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.37 143.39 57.85 Favored 'General case' 0 CA--C 1.546 0.82 0 O-C-N 121.556 -0.715 . . . . 0.0 110.522 169.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -79.27 145.95 33.25 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.948 0.899 . . . . 0.0 112.203 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.268 1.427 . . . . 0.0 112.091 173.662 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.611 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 19.5 m -61.08 -25.17 66.76 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -172.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 19.4 m -76.01 -2.67 31.71 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.072 1.349 . . . . 0.0 114.229 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -74.38 -1.15 60.06 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.204 1.383 . . . . 0.0 115.929 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 74.1 p -70.5 160.27 32.74 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.849 1.325 . . . . 0.0 113.266 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 77.5 p -143.72 158.31 43.77 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.194 1.398 . . . . 0.0 112.85 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -76.47 166.68 54.31 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 124.615 1.102 . . . . 0.0 114.465 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt -146.83 147.22 30.63 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.749 1.62 . . . . 0.0 110.72 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 49.78 51.48 16.45 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.289 1.435 . . . . 0.0 113.187 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -83.38 3.36 32.09 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 -171.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.53 150.57 45.99 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.43 1.092 . . . . 0.0 112.911 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.38 170.8 0.06 Allowed 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 127.009 2.124 . . . . 0.0 115.046 -173.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.85 143.1 83.97 Favored Pre-proline 0 CA--C 1.549 0.914 0 O-C-N 121.118 -0.989 . . . . 0.0 111.921 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.83 -23.71 41.17 Favored 'Trans proline' 0 CA--C 1.539 0.753 0 C-N-CA 123.062 2.508 . . . . 0.0 113.336 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 -86.91 -5.81 58.98 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.609 1.563 . . . . 0.0 114.406 176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -89.13 130.49 35.56 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 120.553 1.524 . . . . 0.0 112.479 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -121.16 8.57 10.36 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.262 1.425 . . . . 0.0 114.284 -177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.74 -145.24 46.59 Favored Glycine 0 CA--C 1.537 1.428 0 O-C-N 120.939 -1.1 . . . . 0.0 113.101 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -77.8 55.26 5.17 Favored 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 124.417 3.412 . . . . 0.0 113.047 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -72.83 141.72 48.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.633 1.173 . . . . 0.0 110.572 174.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.2 m -88.2 160.3 17.78 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.036 0.935 . . . . 0.0 112.367 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -50.8 -54.05 26.83 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.833 0.853 . . . . 0.0 112.559 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.6 m -58.42 -36.18 73.23 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -175.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -70.59 -43.73 68.77 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.125 0.97 . . . . 0.0 112.357 174.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.74 99.67 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.501 0.72 . . . . 0.0 112.072 175.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -67.3 -44.78 78.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.755 1.222 . . . . 0.0 111.99 179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -65.93 -33.61 76.23 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.236 0.925 . . . . 0.0 112.35 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.2 m -67.43 -47.55 69.87 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.449 0.568 . . . . 0.0 111.917 175.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.01 -26.92 43.23 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.8 tp -64.91 -27.13 68.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.505 1.048 . . . . 0.0 112.292 172.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -85.65 -11.94 52.59 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.099 1.359 . . . . 0.0 113.665 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.0 mmm -99.48 162.02 22.65 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 125.995 1.718 . . . . 0.0 112.508 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.97 163.03 39.94 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.778 2.319 . . . . 0.0 112.114 172.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.52 138.17 52.23 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.502 1.121 . . . . 0.0 112.253 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.42 4.24 77.22 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.777 1.18 . . . . 0.0 115.273 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 37.4 m -76.18 129.78 37.26 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.892 0.877 . . . . 0.0 109.291 169.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -134.29 162.6 31.72 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -175.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -148.16 159.3 44.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.373 1.469 . . . . 0.0 111.002 175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.4 t -122.88 137.61 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.671 1.188 . . . . 0.0 109.856 170.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ptt85 -136.79 153.91 50.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.213 1.405 . . . . 0.0 111.671 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.67 134.79 53.99 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.323 0.649 . . . . 0.0 109.628 168.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 t -67.01 132.45 47.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 122.266 1.032 . . . . 0.0 113.592 -169.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.56 -9.25 58.52 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.797 1.639 . . . . 0.0 113.755 174.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 91.9 p -104.72 -32.18 9.0 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 171.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.0 m -140.27 88.24 11.56 Favored Pre-proline 0 N--CA 1.473 0.709 0 C-N-CA 123.931 0.892 . . . . 0.0 112.195 -168.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -53.84 133.33 54.03 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.242 2.628 . . . . 0.0 112.931 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.24 -16.04 61.52 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 124.773 1.178 . . . . 0.0 114.657 -173.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -98.36 162.33 13.23 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.973 1.309 . . . . 0.0 109.675 167.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -121.33 169.78 10.26 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.205 -0.934 . . . . 0.0 112.292 -175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.9 t -137.38 128.03 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.811 1.244 . . . . 0.0 109.92 177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 tp -87.92 120.99 29.8 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 125.781 1.632 . . . . 0.0 108.014 169.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 m -112.43 136.15 52.27 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.688 0.795 . . . . 0.0 109.745 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 t -140.35 142.99 35.52 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.017 0.927 . . . . 0.0 111.848 -174.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 p -78.96 113.43 17.07 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.008 -1.058 . . . . 0.0 109.014 170.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -140.81 141.3 34.75 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.149 0.979 . . . . 0.0 112.471 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 56.58 34.48 24.5 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.929 1.292 . . . . 0.0 113.789 169.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.96 7.86 71.84 Favored Glycine 0 CA--C 1.539 1.588 0 C-N-CA 124.32 0.962 . . . . 0.0 115.044 -177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -130.68 -169.28 2.12 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.286 2.235 . . . . 0.0 110.887 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -121.57 133.99 66.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.412 1.085 . . . . 0.0 110.044 174.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.5 p -114.05 156.74 23.58 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.505 1.922 . . . . 0.0 111.082 -177.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -138.71 136.06 35.41 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.895 1.278 . . . . 0.0 111.182 -177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -138.55 123.47 18.89 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.27 1.428 . . . . 0.0 110.727 -174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -81.4 136.0 35.68 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.34 -0.85 . . . . 0.0 112.25 -174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mt -108.39 94.3 4.99 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.679 2.391 . . . . 0.0 107.401 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 71.5 m -86.24 135.54 33.52 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 124.949 1.3 . . . . 0.0 111.544 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.43 122.86 25.12 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.398 0.679 . . . . 0.0 110.748 172.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -132.65 104.22 6.53 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.043 1.737 . . . . 0.0 109.081 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 51.54 31.75 8.02 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.992 1.317 . . . . 0.0 113.998 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.17 -1.82 87.61 Favored Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.922 1.725 . . . . 0.0 115.44 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.4 mttm -101.7 170.01 8.45 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.215 1.806 . . . . 0.0 111.367 174.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.0 mm -104.79 116.83 49.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.017 1.327 . . . . 0.0 111.272 -170.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -103.03 128.39 49.9 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.622 1.569 . . . . 0.0 109.995 171.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.0 tt -139.29 127.0 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.956 1.302 . . . . 0.0 110.302 176.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.6 t70 55.51 -88.98 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.001 1.72 . . . . 0.0 111.854 -167.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 77.7 p -126.71 -12.81 5.99 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.606 1.563 . . . . 0.0 113.167 169.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -81.17 137.47 35.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.767 1.627 . . . . 0.0 111.192 -174.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.9 tp -109.39 134.1 52.24 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.009 1.324 . . . . 0.0 111.18 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -133.49 155.42 49.59 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 126.591 1.956 . . . . 0.0 111.096 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.99 -35.84 81.67 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -156.65 172.41 18.64 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.537 1.535 . . . . 0.0 111.709 -173.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.9 mt -61.22 -42.89 99.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.735 0.814 . . . . 0.0 112.897 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.08 -35.25 80.15 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.564 -0.71 . . . . 0.0 112.377 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.11 91.34 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.58 0.752 . . . . 0.0 112.707 171.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.91 86.05 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.125 0.57 . . . . 0.0 112.17 175.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.3 mm -59.25 -50.29 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.918 0.887 . . . . 0.0 110.389 171.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.5 m -59.11 -39.0 80.94 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.797 1.239 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -60.52 -46.06 91.53 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.148 -0.97 . . . . 0.0 111.756 173.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -78.37 -5.32 51.93 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.474 1.287 . . . . 0.0 114.474 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.4 mmt -78.86 -37.21 40.9 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.889 -1.132 . . . . 0.0 109.901 166.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -82.74 -37.89 24.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.018 1.327 . . . . 0.0 112.666 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -117.98 150.78 38.68 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.731 1.612 . . . . 0.0 111.952 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -68.48 138.4 55.19 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.081 -1.012 . . . . 0.0 111.505 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.82 -62.53 1.66 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.751 1.22 . . . . 0.0 110.651 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -142.95 -52.44 0.38 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.643 1.177 . . . . 0.0 111.54 175.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -110.08 -31.91 7.2 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.111 1.364 . . . . 0.0 111.857 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -152.49 173.97 14.48 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.757 1.223 . . . . 0.0 112.419 175.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.9 p -85.12 160.79 19.87 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.77 1.228 . . . . 0.0 111.618 169.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.0 mt -63.61 138.0 58.33 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.357 1.063 . . . . 0.0 110.399 173.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -117.48 -45.18 2.72 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.893 0.877 . . . . 0.0 112.882 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -155.71 147.98 17.56 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 123.799 0.839 . . . . 0.0 113.256 -177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -70.31 148.03 60.6 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 122.446 2.097 . . . . 0.0 111.086 169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.2 tp -58.07 133.36 55.49 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.619 -0.676 . . . . 0.0 110.232 169.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -80.89 149.65 29.37 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.021 0.928 . . . . 0.0 111.963 -176.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 . . . . . 0 C--O 1.253 1.242 0 C-N-CA 125.867 1.667 . . . . 0.0 113.329 -178.811 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.029 -0.428 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 76.9 p -148.52 172.09 15.06 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.287 1.435 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 15.7 m -74.72 3.31 8.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.976 1.311 . . . . 0.0 114.307 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -63.86 -8.81 30.25 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.434 1.492 . . . . 0.0 115.972 -175.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 66.9 p -73.47 -9.89 59.15 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.237 1.415 . . . . 0.0 113.874 169.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 9.3 t -130.13 162.28 29.19 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.218 1.807 . . . . 0.0 112.167 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 173.06 -171.88 44.75 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.972 1.272 . . . . 0.0 113.512 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt -71.94 153.43 41.84 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.132 0.973 . . . . 0.0 112.273 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.02 161.07 39.12 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.252 1.421 . . . . 0.0 112.2 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -80.03 78.94 6.63 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.584 1.154 . . . . 0.0 110.886 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.0 156.18 39.95 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.509 1.123 . . . . 0.0 113.254 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -141.7 166.7 24.03 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.884 1.674 . . . . 0.0 111.458 177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.6 152.5 45.65 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.212 1.005 . . . . 0.0 113.006 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -68.16 -22.39 40.86 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.703 2.269 . . . . 0.0 112.893 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.3 p-90 -94.69 -7.02 41.92 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.745 1.618 . . . . 0.0 114.776 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -89.08 132.83 34.61 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.42 1.464 . . . . 0.0 112.514 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -122.51 3.86 9.63 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.514 1.526 . . . . 0.0 114.422 -177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.74 -139.59 37.09 Favored Glycine 0 CA--C 1.538 1.516 0 CA-C-O 118.563 -1.132 . . . . 0.0 113.261 178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -77.39 48.92 2.7 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 124.826 3.684 . . . . 0.0 113.809 -174.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.45 142.29 48.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.007 1.323 . . . . 0.0 110.457 174.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -95.06 169.53 10.05 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.722 0.809 . . . . 0.0 112.126 173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -54.54 -52.27 62.59 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.76 0.824 . . . . 0.0 112.123 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.1 m -58.9 -36.31 74.49 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 118.358 0.526 . . . . 0.0 112.356 -175.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -71.75 -42.99 66.58 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.072 0.949 . . . . 0.0 112.162 175.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.08 99.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.611 0.764 . . . . 0.0 112.124 174.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -63.68 -47.71 80.1 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.378 1.471 . . . . 0.0 111.635 177.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -64.57 -33.2 75.35 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.874 0.761 . . . . 0.0 112.351 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.4 m -70.24 -48.61 56.15 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 118.462 0.574 . . . . 0.0 112.236 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.3 mp -79.52 -25.91 41.63 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.3 tp -66.63 -26.39 67.04 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.601 1.091 . . . . 0.0 112.208 172.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.49 -13.0 53.19 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.155 1.382 . . . . 0.0 113.467 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mmm -98.18 162.12 23.12 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 126.105 1.762 . . . . 0.0 112.522 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -71.4 163.93 37.42 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 122.884 2.389 . . . . 0.0 112.06 171.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -57.44 140.49 50.33 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.904 1.282 . . . . 0.0 112.255 174.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.11 2.54 80.45 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.077 1.322 . . . . 0.0 115.272 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.4 m -77.62 132.7 38.38 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.357 1.079 . . . . 0.0 110.061 169.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.72 161.94 34.56 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.45 160.61 42.39 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 125.272 1.429 . . . . 0.0 111.325 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.6 t -123.44 138.32 53.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.594 1.158 . . . . 0.0 110.037 170.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 ptt85 -137.76 155.01 49.51 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 125.348 1.459 . . . . 0.0 111.609 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -62.4 134.29 56.24 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.637 0.775 . . . . 0.0 109.641 169.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -68.92 130.93 44.19 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 122.46 1.124 . . . . 0.0 113.891 -168.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.2 p -75.75 -7.77 55.2 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.741 1.617 . . . . 0.0 113.212 170.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 69.3 m -96.08 -30.52 13.5 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.574 1.149 . . . . 0.0 113.789 174.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.3 t -156.74 129.76 4.41 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 123.804 0.842 . . . . 0.0 112.528 -174.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -68.45 137.9 40.83 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.698 2.266 . . . . 0.0 111.837 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.4 -8.22 65.46 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 124.494 1.045 . . . . 0.0 115.198 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -96.37 165.45 12.18 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.09 1.356 . . . . 0.0 110.07 168.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -127.77 167.76 16.06 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.174 -0.954 . . . . 0.0 112.622 -175.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.2 t -136.42 129.64 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.809 1.244 . . . . 0.0 109.855 176.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.9 tp -90.4 124.73 35.19 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.048 1.739 . . . . 0.0 107.733 169.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.6 m -118.68 135.77 54.29 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.744 0.818 . . . . 0.0 110.267 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 65.6 m -138.83 138.41 37.49 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.35 1.06 . . . . 0.0 112.385 -170.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.6 p -78.26 106.77 10.4 Favored 'General case' 0 CA--C 1.527 0.071 0 C-N-CA 123.856 0.862 . . . . 0.0 108.968 169.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -143.17 149.41 37.99 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.05 0.94 . . . . 0.0 112.949 -178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 56.84 32.68 21.81 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.269 1.428 . . . . 0.0 113.832 171.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.92 11.22 78.43 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.604 1.097 . . . . 0.0 114.969 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -136.74 -170.13 2.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.317 2.247 . . . . 0.0 110.798 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.82 139.88 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.463 1.105 . . . . 0.0 109.718 171.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 76.9 p -127.98 156.91 41.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.818 1.647 . . . . 0.0 111.066 -172.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -137.6 140.71 41.11 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.755 1.222 . . . . 0.0 111.707 -174.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -140.31 125.3 18.45 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.726 1.61 . . . . 0.0 110.415 -174.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -81.29 135.78 35.74 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 121.493 -0.754 . . . . 0.0 112.672 -173.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mt -111.79 95.99 5.81 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.249 2.219 . . . . 0.0 107.607 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.7 m -91.5 136.01 33.43 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.648 1.179 . . . . 0.0 111.726 -173.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.2 129.35 34.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.483 0.713 . . . . 0.0 112.338 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -133.15 107.72 8.37 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.368 1.467 . . . . 0.0 109.94 170.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 51.83 30.41 7.0 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.833 1.253 . . . . 0.0 114.111 -176.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.0 -9.29 77.39 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 126.177 1.846 . . . . 0.0 115.383 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.11 159.52 22.07 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 118.876 1.338 . . . . 0.0 111.524 171.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.8 mm -108.15 112.08 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 126.067 1.747 . . . . 0.0 110.575 -172.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -96.54 127.96 43.02 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 126.031 1.732 . . . . 0.0 109.976 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.9 tt -144.22 127.81 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.151 0.98 . . . . 0.0 111.668 175.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 55.59 -75.23 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.777 2.431 . . . . 0.0 114.701 -172.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.5 t -142.05 -2.75 1.13 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.52 1.928 . . . . 0.0 112.84 175.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -100.01 150.67 22.2 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.635 1.974 . . . . 0.0 110.934 -174.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 36.0 tp -128.03 131.68 49.16 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.439 1.496 . . . . 0.0 110.654 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -131.38 157.48 43.29 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 125.672 1.589 . . . . 0.0 112.19 -176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.28 -35.77 82.05 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 112.945 0.721 . . . . 0.0 112.945 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -157.44 173.05 17.5 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.53 1.532 . . . . 0.0 112.206 -173.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.4 mt -62.86 -43.52 98.59 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.143 0.977 . . . . 0.0 113.095 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.39 -34.99 78.94 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.392 -0.817 . . . . 0.0 112.337 -178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.48 89.97 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.831 0.853 . . . . 0.0 112.603 172.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.96 -43.99 81.72 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.279 0.631 . . . . 0.0 112.088 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.8 mm -57.57 -50.57 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.13 0.972 . . . . 0.0 110.498 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.1 m -60.64 -42.02 96.09 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.583 1.153 . . . . 0.0 112.178 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -58.84 -43.23 90.68 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.177 -0.952 . . . . 0.0 111.706 174.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -77.87 4.37 12.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 175.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 55.2 mtt -96.71 -36.06 10.8 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.5 1.12 . . . . 0.0 110.188 166.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.61 -28.89 56.3 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.261 1.024 . . . . 0.0 113.076 174.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -131.1 159.48 37.5 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.37 1.868 . . . . 0.0 111.558 -178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -73.7 144.11 45.91 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.049 -1.032 . . . . 0.0 111.751 175.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.1 tt -83.01 -63.41 1.37 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.675 1.19 . . . . 0.0 110.618 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -144.51 -65.57 0.35 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.317 1.447 . . . . 0.0 110.338 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -89.78 -35.11 15.9 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.273 1.029 . . . . 0.0 112.809 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -158.97 -176.59 5.95 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.811 1.644 . . . . 0.0 111.141 176.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 p -89.87 159.52 16.93 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.634 1.574 . . . . 0.0 112.143 169.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.8 mt -66.33 137.88 57.22 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.065 1.346 . . . . 0.0 110.92 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -113.88 -46.88 2.99 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -152.22 145.73 17.81 Favored Pre-proline 0 N--CA 1.473 0.715 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -174.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -73.79 141.8 31.05 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.837 2.358 . . . . 0.0 111.56 173.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.67 133.69 56.34 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.624 -0.673 . . . . 0.0 109.435 168.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -78.32 134.02 37.54 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.688 -0.633 . . . . 0.0 111.56 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.09 0 C-N-CA 126.221 1.808 . . . . 0.0 111.857 175.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 110.499 -1.04 . . . . 0.0 110.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 31.2 m 52.41 37.01 21.5 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 124.856 1.262 . . . . 0.0 113.05 -171.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 13.8 m -72.51 153.01 41.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.739 1.616 . . . . 0.0 113.521 -169.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 73.82 -169.31 53.69 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.42 1.009 . . . . 0.0 114.476 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 59.7 p -151.91 177.49 10.39 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.411 1.484 . . . . 0.0 112.241 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.1 m -70.74 -5.17 27.95 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.647 1.179 . . . . 0.0 114.133 173.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 73.09 -171.82 50.49 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 124.876 1.227 . . . . 0.0 114.471 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ptm -80.39 46.68 0.86 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.767 1.627 . . . . 0.0 113.709 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.05 149.09 45.91 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.702 1.201 . . . . 0.0 113.131 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -100.84 25.12 8.3 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.212 1.405 . . . . 0.0 113.313 -173.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.85 152.02 45.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.485 1.114 . . . . 0.0 113.494 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.52 169.66 17.28 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.883 1.673 . . . . 0.0 111.788 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.35 146.9 92.52 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 123.833 0.853 . . . . 0.0 112.137 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.32 -22.65 52.68 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.18 2.587 . . . . 0.0 113.767 -171.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.8 p-90 -83.51 -7.5 59.52 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.318 1.447 . . . . 0.0 114.461 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -88.62 131.0 35.15 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.62 1.555 . . . . 0.0 112.56 -178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -122.85 8.29 9.37 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.408 1.483 . . . . 0.0 114.618 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.82 -142.04 39.31 Favored Glycine 0 CA--C 1.537 1.467 0 O-C-N 120.74 -1.225 . . . . 0.0 113.574 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -77.6 51.51 3.59 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 124.811 3.674 . . . . 0.0 113.415 -175.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.36 141.16 48.76 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.056 1.343 . . . . 0.0 110.697 175.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.2 p -83.61 167.67 17.08 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.624 -0.672 . . . . 0.0 112.352 174.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -57.23 -50.92 71.36 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.758 -0.589 . . . . 0.0 110.797 168.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -57.87 -40.45 80.25 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.696 0.798 . . . . 0.0 112.371 -176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -67.85 -42.88 80.66 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.359 0.664 . . . . 0.0 112.17 175.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.07 -43.18 99.29 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.517 0.727 . . . . 0.0 112.151 175.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.48 -45.08 85.05 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.496 1.118 . . . . 0.0 112.019 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -64.96 -33.1 75.23 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.94 0.791 . . . . 0.0 112.299 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.0 m -70.61 -50.45 36.92 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.239 0.616 . . . . 0.0 111.934 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 46' ' ' CYS . 7.0 mp -77.43 -21.73 52.58 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.047 1.129 . . . . 0.0 114.047 -175.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.1 tp -70.45 -28.29 64.9 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.399 1.0 . . . . 0.0 112.249 171.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -79.1 -32.98 44.81 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.304 1.042 . . . . 0.0 112.498 173.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.6 mmm -78.63 161.48 69.24 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 125.51 1.524 . . . . 0.0 113.117 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -73.67 162.29 40.0 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 123.217 2.611 . . . . 0.0 112.236 173.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -57.37 132.86 54.35 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.955 1.302 . . . . 0.0 112.14 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.31 0.19 59.77 Favored Glycine 0 CA--C 1.532 1.095 0 C-N-CA 125.426 1.489 . . . . 0.0 114.475 -177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.8 m -74.9 131.9 41.06 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.825 0.85 . . . . 0.0 109.33 169.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -136.56 162.16 33.88 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -148.79 158.75 44.38 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.943 1.297 . . . . 0.0 111.054 176.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.6 t -122.9 138.85 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.786 1.234 . . . . 0.0 109.915 170.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -139.27 155.86 47.45 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.215 1.406 . . . . 0.0 111.77 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.97 135.31 57.49 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.484 0.714 . . . . 0.0 109.699 169.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.3 t -67.51 134.33 51.11 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -168.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.12 -7.85 56.49 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.64 1.576 . . . . 0.0 113.253 171.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.0 m -82.22 -52.62 6.78 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.216 0.916 . . . . 0.0 111.994 169.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 m -153.44 144.97 16.52 Favored Pre-proline 0 N--CA 1.477 0.887 0 C-N-CA 124.766 1.227 . . . . 0.0 112.053 -170.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.6 148.46 78.3 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 122.957 2.438 . . . . 0.0 112.138 175.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.6 -5.66 73.1 Favored Glycine 0 CA--C 1.541 1.686 0 C-N-CA 124.582 1.087 . . . . 0.0 115.298 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -105.02 162.58 13.24 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.675 1.59 . . . . 0.0 110.268 169.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -126.74 167.97 15.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.104 0.961 . . . . 0.0 112.273 -176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.5 t -138.43 130.95 39.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.759 1.224 . . . . 0.0 110.03 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.6 tp -92.09 121.11 33.33 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.426 1.89 . . . . 0.0 108.31 170.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -113.08 134.98 54.28 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.677 0.791 . . . . 0.0 110.027 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.4 ' C ' HD23 ' A' ' 22' ' ' LEU . 77.4 m -136.55 142.68 43.43 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.546 1.138 . . . . 0.0 112.481 -172.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.9 p -81.8 112.39 18.9 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.304 -0.873 . . . . 0.0 108.784 169.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -138.53 134.86 34.44 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.131 0.973 . . . . 0.0 112.558 -174.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.5 t30 52.63 37.58 23.76 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.395 1.478 . . . . 0.0 113.851 170.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.5 7.16 78.43 Favored Glycine 0 CA--C 1.541 1.682 0 N-CA-C 115.565 0.986 . . . . 0.0 115.565 -178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -127.48 -172.26 2.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.041 2.137 . . . . 0.0 110.96 175.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.5 t -120.51 135.1 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.459 1.104 . . . . 0.0 110.066 173.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 37.5 p -117.88 157.77 26.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.622 1.969 . . . . 0.0 111.192 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -138.0 136.53 37.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.963 1.305 . . . . 0.0 111.1 -178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -136.7 126.26 25.27 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.446 1.498 . . . . 0.0 111.021 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -79.95 128.14 33.11 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.549 -0.719 . . . . 0.0 111.644 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.3 87.08 2.95 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 127.216 2.206 . . . . 0.0 107.286 173.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 m -82.65 139.41 33.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 125.12 1.368 . . . . 0.0 111.733 -174.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.2 127.9 32.95 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 123.176 0.591 . . . . 0.0 111.223 173.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -139.73 108.08 5.82 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.489 1.516 . . . . 0.0 109.726 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 53.26 30.65 10.37 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.888 1.275 . . . . 0.0 113.962 -175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.93 -0.53 89.65 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.954 1.74 . . . . 0.0 115.306 -176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.0 mttm -102.76 173.93 6.11 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.675 1.99 . . . . 0.0 111.143 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.4 mm -107.11 119.53 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.151 1.381 . . . . 0.0 111.239 -171.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -105.14 129.47 53.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.722 1.609 . . . . 0.0 109.941 171.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.6 tt -139.19 125.51 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 125.006 1.322 . . . . 0.0 109.778 175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 53.36 -101.58 0.12 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.011 1.324 . . . . 0.0 111.174 -167.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.0 p -109.96 -15.17 14.13 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.998 1.319 . . . . 0.0 113.783 170.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -80.94 134.23 35.68 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.546 1.538 . . . . 0.0 111.417 -172.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.7 tp -105.76 134.25 49.18 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.671 1.188 . . . . 0.0 110.806 170.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -131.92 154.67 49.02 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 126.736 2.014 . . . . 0.0 110.872 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.64 -36.08 82.67 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -156.42 172.16 18.99 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.506 1.522 . . . . 0.0 111.658 -173.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.34 -43.29 99.12 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.775 0.83 . . . . 0.0 112.949 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -63.82 -35.6 81.17 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.634 -0.666 . . . . 0.0 112.334 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.34 93.34 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.704 0.802 . . . . 0.0 112.602 172.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.53 87.41 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.237 0.615 . . . . 0.0 112.154 176.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 35.0 mm -59.61 -49.08 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.09 0.956 . . . . 0.0 110.452 173.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.1 m -59.35 -41.16 88.55 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.433 1.093 . . . . 0.0 112.242 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -59.11 -43.98 91.96 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.118 -0.989 . . . . 0.0 111.789 175.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -79.57 2.34 22.62 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.531 1.308 . . . . 0.0 114.531 176.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 51.7 mtt -92.14 -37.5 12.7 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.26 1.024 . . . . 0.0 109.895 166.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -76.55 -28.94 56.48 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.602 1.161 . . . . 0.0 113.115 175.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.85 156.54 44.2 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.09 1.756 . . . . 0.0 111.622 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.73 144.67 47.56 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.948 -1.095 . . . . 0.0 111.656 174.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.8 tt -83.19 -62.55 1.56 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.755 1.222 . . . . 0.0 110.866 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -144.0 -54.57 0.36 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.234 1.014 . . . . 0.0 111.687 177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -111.59 -30.92 7.17 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.507 1.523 . . . . 0.0 111.913 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.0 t -149.35 176.01 10.93 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.053 1.341 . . . . 0.0 112.26 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 66.3 p -89.92 167.44 12.81 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.235 1.414 . . . . 0.0 111.787 169.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 mt -72.66 124.37 25.15 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.324 1.05 . . . . 0.0 109.783 170.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.2 mttt -110.07 -42.55 4.16 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.087 0.955 . . . . 0.0 112.948 -175.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -155.31 146.88 16.93 Favored Pre-proline 0 N--CA 1.472 0.669 0 C-N-CA 123.775 0.83 . . . . 0.0 113.102 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -70.48 145.93 54.36 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 122.472 2.115 . . . . 0.0 110.927 170.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.75 135.31 56.77 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.559 -0.713 . . . . 0.0 110.381 169.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -81.46 151.43 27.85 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.87 0.868 . . . . 0.0 111.739 -178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.142 0 C-N-CA 125.83 1.652 . . . . 0.0 112.47 -176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.3 m -136.72 150.56 48.5 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.216 1.407 . . . . 0.0 111.863 -176.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 43.4 m -58.28 130.98 49.2 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.167 0.987 . . . . 0.0 111.671 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 61.1 15.15 42.53 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.09 0.852 . . . . 0.0 114.927 -176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.2 m 56.73 23.06 7.48 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 126.09 1.756 . . . . 0.0 114.385 -169.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 67.6 m -71.13 142.16 50.75 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.395 1.078 . . . . 0.0 113.065 -177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -84.41 -163.84 36.8 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.889 1.233 . . . . 0.0 113.923 174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.4 mtm -130.9 152.16 50.53 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.621 1.568 . . . . 0.0 111.2 176.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.38 142.19 50.35 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.592 0.757 . . . . 0.0 112.212 178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -85.05 62.05 7.26 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.561 1.144 . . . . 0.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 56.18 17.23 2.65 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.626 1.97 . . . . 0.0 115.718 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.43 152.04 45.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.157 1.383 . . . . 0.0 112.748 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.49 150.48 44.55 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.518 1.127 . . . . 0.0 113.055 -178.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -67.22 -16.76 49.37 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.174 2.583 . . . . 0.0 113.667 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -96.59 -3.07 43.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.369 1.867 . . . . 0.0 114.195 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -90.48 130.68 36.51 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 120.273 1.397 . . . . 0.0 112.941 -175.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -118.83 -0.0 11.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.406 1.483 . . . . 0.0 114.729 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.41 -139.44 35.53 Favored Glycine 0 CA--C 1.54 1.649 0 CA-C-O 118.308 -1.273 . . . . 0.0 113.419 178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -65.21 32.48 0.1 Allowed 'Trans proline' 0 CA--C 1.552 1.375 1 C-N-CA 125.848 4.366 . . . . 0.0 117.947 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.13 137.95 56.7 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.161 1.385 . . . . 0.0 111.264 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -94.1 173.36 7.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.083 0.953 . . . . 0.0 112.371 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -54.5 -55.98 23.51 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.984 0.914 . . . . 0.0 111.88 176.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.0 m -59.37 -35.43 73.9 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -173.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -69.98 -41.03 74.98 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.9 0.88 . . . . 0.0 112.51 175.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -43.92 84.03 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.722 0.809 . . . . 0.0 112.034 173.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -64.68 -47.33 78.77 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.472 1.509 . . . . 0.0 111.763 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -66.79 -16.92 64.6 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 178.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.1 m -86.88 -54.37 4.39 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.178 0.991 . . . . 0.0 111.743 172.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.68 -24.08 61.77 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -175.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.0 -27.07 67.85 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.252 0.933 . . . . 0.0 112.584 172.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -86.14 -22.57 26.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.924 1.29 . . . . 0.0 112.823 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.0 mmm -86.13 161.19 50.19 Favored Pre-proline 0 CA--C 1.545 0.756 0 C-N-CA 125.985 1.714 . . . . 0.0 112.36 178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.23 162.44 41.63 Favored 'Trans proline' 0 CA--C 1.535 0.552 0 C-N-CA 122.778 2.318 . . . . 0.0 111.817 172.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -54.4 141.43 30.53 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.734 1.214 . . . . 0.0 112.252 172.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.51 2.7 82.07 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 124.224 0.916 . . . . 0.0 114.859 -176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.6 m -79.5 131.17 35.97 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.375 1.087 . . . . 0.0 109.245 169.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -138.79 163.01 33.32 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -150.27 158.19 43.89 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.152 1.381 . . . . 0.0 110.995 176.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.0 t -122.78 138.41 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 124.496 1.119 . . . . 0.0 109.986 172.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.2 ptt85 -141.25 160.26 40.49 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.16 1.384 . . . . 0.0 112.05 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -61.99 139.52 58.41 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.379 1.071 . . . . 0.0 111.44 174.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.3 t -73.55 148.12 43.31 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -171.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 p -71.0 -12.26 61.43 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.372 1.869 . . . . 0.0 113.978 172.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.8 p -147.93 154.19 40.04 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.823 1.649 . . . . 0.0 111.754 178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.8 m 50.53 80.4 0.3 Allowed Pre-proline 0 N--CA 1.478 0.964 0 C-N-CA 125.736 1.614 . . . . 0.0 114.071 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -49.23 135.71 31.14 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.981 3.12 . . . . 0.0 113.807 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.96 -17.11 55.09 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 125.232 1.396 . . . . 0.0 113.434 -169.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -85.38 161.97 19.23 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.369 1.067 . . . . 0.0 111.075 168.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -129.81 174.01 10.12 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.256 1.422 . . . . 0.0 111.785 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -135.37 127.96 47.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.808 1.243 . . . . 0.0 110.173 177.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 42.7 tp -89.6 123.33 33.57 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.651 1.58 . . . . 0.0 108.041 169.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -116.04 134.16 55.25 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.863 0.865 . . . . 0.0 110.062 175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -137.41 144.15 42.25 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.399 1.08 . . . . 0.0 112.591 -170.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.5 p -81.79 115.1 20.85 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 168.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -143.03 136.22 28.19 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.693 1.197 . . . . 0.0 112.217 -174.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 t30 52.84 37.34 23.86 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.934 1.694 . . . . 0.0 113.989 172.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.1 7.93 72.71 Favored Glycine 0 CA--C 1.54 1.634 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -130.03 -170.4 2.31 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 127.286 2.234 . . . . 0.0 110.791 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 59.4 t -123.15 136.81 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.541 1.136 . . . . 0.0 110.279 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.4 p -120.6 159.16 25.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.692 1.997 . . . . 0.0 111.371 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -140.21 138.13 34.87 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.977 1.311 . . . . 0.0 111.358 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -138.56 127.94 24.49 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.246 1.419 . . . . 0.0 111.895 -174.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -73.14 129.46 38.1 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.96 0.904 . . . . 0.0 111.431 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.48 97.24 7.1 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.526 1.931 . . . . 0.0 107.497 169.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.1 m -88.23 133.49 34.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.76 1.224 . . . . 0.0 111.359 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.92 125.22 28.94 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.794 -0.566 . . . . 0.0 110.59 172.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -137.24 108.32 6.76 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.636 1.574 . . . . 0.0 109.458 -176.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.6 33.08 7.52 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.265 1.426 . . . . 0.0 114.699 -177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.06 -1.86 88.58 Favored Glycine 0 CA--C 1.54 1.609 0 C-N-CA 125.965 1.745 . . . . 0.0 115.397 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -102.83 174.5 5.85 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 127.089 2.156 . . . . 0.0 111.103 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.3 mm -110.37 121.56 63.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.544 1.537 . . . . 0.0 111.056 -174.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 tpp180 -105.33 130.49 53.44 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.959 1.704 . . . . 0.0 109.943 171.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.8 tt -139.28 126.8 25.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.745 1.218 . . . . 0.0 110.167 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.2 t70 55.37 -89.65 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.968 1.707 . . . . 0.0 111.878 -167.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.5 p -125.26 -13.43 6.7 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.442 1.497 . . . . 0.0 113.347 169.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -79.79 134.39 36.35 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.623 1.569 . . . . 0.0 111.041 -174.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.0 tp -105.74 134.29 49.1 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.588 1.155 . . . . 0.0 111.103 172.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -132.39 155.33 48.65 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 127.065 2.146 . . . . 0.0 110.627 177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.01 -35.2 79.91 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -156.74 172.66 18.22 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.347 1.459 . . . . 0.0 111.598 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.0 mt -60.77 -43.26 98.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.768 0.827 . . . . 0.0 112.733 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.01 -35.27 80.15 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.528 -0.733 . . . . 0.0 112.298 -178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.82 90.63 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.65 0.78 . . . . 0.0 112.627 172.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.47 -43.53 85.18 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 118.493 0.588 . . . . 0.0 112.111 175.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.3 mm -59.04 -49.84 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.844 0.857 . . . . 0.0 110.292 172.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.6 m -59.25 -38.47 80.13 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.76 1.224 . . . . 0.0 112.422 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -61.45 -46.74 88.79 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.121 -0.987 . . . . 0.0 111.794 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -76.78 -6.33 51.82 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.4 mmt -75.86 -35.34 59.94 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 120.76 -1.212 . . . . 0.0 110.136 166.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -88.79 -29.02 20.07 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.996 1.318 . . . . 0.0 113.322 -178.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.18 150.46 48.3 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.608 1.563 . . . . 0.0 112.002 -176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -68.53 138.66 55.33 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.006 -1.059 . . . . 0.0 111.503 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -79.79 -62.07 1.8 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.745 1.218 . . . . 0.0 110.579 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -144.25 -50.3 0.29 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.515 1.126 . . . . 0.0 111.543 175.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -111.48 -33.21 6.45 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.326 1.45 . . . . 0.0 111.658 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.0 t -152.53 175.03 13.19 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.813 1.245 . . . . 0.0 112.706 176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.9 p -89.03 164.09 15.23 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.741 1.616 . . . . 0.0 112.381 172.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.8 mt -70.12 145.44 51.57 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.315 1.046 . . . . 0.0 110.75 171.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -128.65 -41.02 1.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 175.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -153.22 145.31 16.93 Favored Pre-proline 0 CA--C 1.542 0.639 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.09 149.93 37.06 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.76 2.307 . . . . 0.0 111.709 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.9 tp -73.64 144.86 45.73 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 166.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -74.57 132.98 42.26 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.862 0.865 . . . . 0.0 111.459 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.261 0 C-N-CA 126.191 1.796 . . . . 0.0 112.389 -176.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.534 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 32.2 m -67.26 154.53 41.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.569 1.148 . . . . 0.0 113.125 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 61.6 p -73.04 -15.56 61.51 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.803 1.241 . . . . 0.0 114.294 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -167.37 167.66 40.03 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.801 1.667 . . . . 0.0 112.461 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 43.1 m -72.28 145.45 47.88 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.248 1.019 . . . . 0.0 112.853 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 82.5 p -80.47 -21.3 42.18 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.518 1.127 . . . . 0.0 113.958 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 75.6 6.59 81.57 Favored Glycine 0 CA--C 1.538 1.518 0 C-N-CA 124.949 1.261 . . . . 0.0 115.062 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -66.44 -18.0 65.11 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.103 1.451 . . . . 0.0 114.847 -173.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.32 7.75 45.24 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.572 1.549 . . . . 0.0 114.175 -177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -140.82 138.57 34.13 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.341 1.456 . . . . 0.0 111.249 -176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.28 152.23 41.44 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.525 1.53 . . . . 0.0 111.949 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.73 159.94 44.19 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.508 1.523 . . . . 0.0 111.367 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.27 145.94 9.42 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 124.892 1.277 . . . . 0.0 111.905 175.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -59.76 -30.14 91.32 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 123.532 2.821 . . . . 0.0 114.413 -168.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -76.43 -9.34 58.57 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.717 1.376 . . . . 0.0 114.717 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -85.19 131.84 34.37 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.642 1.564 . . . . 0.0 112.527 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -122.66 7.92 9.47 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.382 1.473 . . . . 0.0 114.414 -177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.74 -145.92 46.03 Favored Glycine 0 CA--C 1.539 1.594 0 O-C-N 120.884 -1.135 . . . . 0.0 113.622 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -67.36 39.21 0.17 Allowed 'Trans proline' 0 CA--C 1.549 1.259 1 C-N-CA 125.598 4.199 . . . . 0.0 117.0 -179.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.8 142.18 57.45 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.679 1.192 . . . . 0.0 111.15 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.3 m -96.23 163.71 12.98 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.49 1.116 . . . . 0.0 112.015 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -49.47 -55.72 12.24 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.102 0.961 . . . . 0.0 113.029 178.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 m -58.89 -34.37 71.59 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -174.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -72.01 -44.5 63.32 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.064 0.945 . . . . 0.0 112.122 174.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.3 99.12 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.696 0.798 . . . . 0.0 112.143 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.18 -41.74 94.3 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.657 1.183 . . . . 0.0 112.04 178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -63.71 -31.71 72.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.335 0.971 . . . . 0.0 113.403 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.8 m -75.47 -53.79 8.09 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.923 0.783 . . . . 0.0 111.533 172.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mp -70.72 -24.18 62.6 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.9 tp -70.17 -26.74 64.05 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.133 0.879 . . . . 0.0 112.362 173.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -88.56 -25.29 22.58 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.006 1.322 . . . . 0.0 112.99 175.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.6 mmm -79.55 160.82 69.04 Favored Pre-proline 0 CA--C 1.546 0.802 0 C-N-CA 125.488 1.515 . . . . 0.0 112.924 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -72.04 163.3 39.21 Favored 'Trans proline' 0 CA--C 1.537 0.671 0 C-N-CA 123.291 2.661 . . . . 0.0 112.331 172.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -57.79 138.95 55.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.812 1.245 . . . . 0.0 112.509 175.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 2.13 76.81 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 124.734 1.159 . . . . 0.0 115.019 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.3 m -77.55 132.27 38.26 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.312 1.056 . . . . 0.0 109.333 169.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -139.38 161.63 36.99 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.6 158.93 44.22 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.973 1.309 . . . . 0.0 111.171 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.91 137.83 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 124.887 1.275 . . . . 0.0 109.751 172.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.2 ptt85 -136.26 154.02 51.02 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.239 1.416 . . . . 0.0 111.671 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.97 133.72 55.74 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 169.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.8 t -67.27 134.61 51.95 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -167.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.02 -6.31 48.69 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.81 1.644 . . . . 0.0 113.143 170.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.8 m -80.94 -55.17 4.97 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 118.922 0.783 . . . . 0.0 111.473 169.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.0 m -154.2 144.46 15.73 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 125.38 1.472 . . . . 0.0 111.722 -175.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -66.75 148.71 83.21 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 122.802 2.335 . . . . 0.0 112.069 175.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.89 -10.99 61.02 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.683 1.135 . . . . 0.0 114.948 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -101.61 162.81 12.63 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.505 1.522 . . . . 0.0 109.586 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -128.39 168.15 15.98 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.315 -0.865 . . . . 0.0 112.499 -175.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -137.49 129.85 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.856 1.263 . . . . 0.0 109.832 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.1 tp -90.63 124.2 34.87 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 126.034 1.734 . . . . 0.0 108.161 170.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.5 m -114.75 134.08 55.39 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.032 0.933 . . . . 0.0 109.719 174.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -137.15 140.07 41.6 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.421 1.089 . . . . 0.0 112.355 -172.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 p -81.69 107.97 14.87 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.666 0.786 . . . . 0.0 109.253 169.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -141.4 147.64 38.32 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.26 1.024 . . . . 0.0 112.72 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 57.05 33.3 23.13 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.233 1.413 . . . . 0.0 113.692 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.75 8.26 67.47 Favored Glycine 0 CA--C 1.54 1.599 0 C-N-CA 124.503 1.049 . . . . 0.0 114.89 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -130.82 -168.58 2.01 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.874 2.07 . . . . 0.0 111.068 178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.7 t -123.21 136.59 59.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 124.627 1.171 . . . . 0.0 109.79 173.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.9 p -126.79 158.69 35.93 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.556 1.543 . . . . 0.0 111.599 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -134.44 140.08 45.99 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.108 1.363 . . . . 0.0 111.599 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -138.98 125.61 20.69 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.398 1.479 . . . . 0.0 110.826 -173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -78.79 130.07 35.33 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.463 -0.773 . . . . 0.0 111.81 -175.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.6 mt -104.54 91.31 3.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.306 2.243 . . . . 0.0 107.407 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -85.66 136.42 33.38 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.889 1.275 . . . . 0.0 111.575 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.51 126.91 31.65 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.294 0.638 . . . . 0.0 110.899 173.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -137.8 101.9 4.58 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.328 1.451 . . . . 0.0 109.794 -177.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 53.34 30.83 10.84 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 124.787 1.235 . . . . 0.0 113.876 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.64 -6.02 84.08 Favored Glycine 0 CA--C 1.54 1.607 0 C-N-CA 126.141 1.829 . . . . 0.0 115.384 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -91.22 168.47 11.58 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.899 1.68 . . . . 0.0 111.657 171.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.4 mm -106.29 117.46 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.786 1.634 . . . . 0.0 110.307 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -102.51 128.9 48.95 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.827 1.651 . . . . 0.0 109.921 172.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.4 tt -139.31 126.19 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.718 1.207 . . . . 0.0 110.202 175.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.3 t70 54.89 -89.13 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.99 1.716 . . . . 0.0 112.055 -167.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.2 p -125.13 -13.59 6.74 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.549 1.539 . . . . 0.0 113.438 169.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -80.44 139.01 36.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.718 1.607 . . . . 0.0 111.102 -174.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.5 tp -114.23 133.83 55.35 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.317 1.447 . . . . 0.0 111.174 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -133.36 156.34 47.81 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.09 1.756 . . . . 0.0 111.753 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -64.4 -36.66 84.87 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.107 0.781 . . . . 0.0 113.107 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -157.05 173.0 17.68 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.404 1.481 . . . . 0.0 111.867 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -62.06 -43.6 98.48 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.921 0.888 . . . . 0.0 113.131 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.72 -34.67 78.4 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.464 -0.772 . . . . 0.0 112.241 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.07 -39.04 89.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.87 0.868 . . . . 0.0 112.534 172.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.03 87.07 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.268 0.627 . . . . 0.0 112.128 175.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.6 mm -59.56 -50.61 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 123.993 0.917 . . . . 0.0 110.35 171.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.5 m -58.82 -38.9 79.7 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.924 1.289 . . . . 0.0 112.385 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -59.61 -45.02 93.17 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.177 -0.952 . . . . 0.0 111.77 173.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -78.99 -5.74 54.61 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.9 mmt -77.59 -37.14 51.08 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.843 -1.161 . . . . 0.0 109.905 166.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -85.97 -28.82 23.99 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.924 1.29 . . . . 0.0 113.476 -178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -128.48 146.72 50.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.441 1.496 . . . . 0.0 111.877 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.21 136.28 55.67 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.485 -0.76 . . . . 0.0 111.419 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.1 tt -78.36 -60.46 2.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.37 1.068 . . . . 0.0 110.96 -175.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.05 -50.13 0.43 Allowed 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.547 1.139 . . . . 0.0 111.317 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -116.39 -32.34 5.3 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.957 1.703 . . . . 0.0 111.799 177.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.7 t -154.56 175.41 13.66 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.925 1.29 . . . . 0.0 112.995 177.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.9 m -84.86 158.01 20.75 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.183 1.393 . . . . 0.0 112.048 173.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.38 146.57 50.94 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.644 1.177 . . . . 0.0 110.907 169.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -131.95 -41.29 1.03 Allowed 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -153.8 143.67 15.34 Favored Pre-proline 0 CA--C 1.543 0.693 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.58 142.93 41.23 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 122.615 2.21 . . . . 0.0 110.899 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.83 140.4 58.26 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.584 -0.697 . . . . 0.0 109.822 168.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -84.96 156.88 20.98 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.415 0.686 . . . . 0.0 112.562 -173.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 . . . . . 0 C--O 1.253 1.281 0 C-N-CA 126.104 1.762 . . . . 0.0 111.993 -179.338 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 78.5 p -80.92 177.39 9.08 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.761 1.224 . . . . 0.0 112.783 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 70.3 m -75.19 -5.62 45.36 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 173.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 72.09 6.91 65.61 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.901 1.238 . . . . 0.0 115.631 178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 51.5 p -78.99 -17.3 55.64 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.371 1.468 . . . . 0.0 114.421 -176.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 68.5 m -136.82 146.61 45.86 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.992 1.717 . . . . 0.0 111.543 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 157.79 175.06 28.29 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.124 1.345 . . . . 0.0 112.763 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.0 mtm -63.48 -29.13 70.45 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.688 -0.89 . . . . 0.0 112.903 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.0 -10.92 59.83 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.509 1.123 . . . . 0.0 114.023 174.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -97.38 -3.9 39.43 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.211 1.405 . . . . 0.0 113.239 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.12 154.81 40.21 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.896 1.279 . . . . 0.0 112.82 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -144.81 162.92 35.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.481 1.512 . . . . 0.0 112.101 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.47 148.76 97.87 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 124.124 0.969 . . . . 0.0 112.278 176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -63.5 -25.36 70.23 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 122.612 2.208 . . . . 0.0 112.985 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 -90.58 -9.26 47.75 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.664 1.586 . . . . 0.0 114.933 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -89.47 117.62 28.52 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 120.513 1.506 . . . . 0.0 112.563 -175.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 m-70 -105.18 0.59 27.47 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.811 1.645 . . . . 0.0 113.978 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 66.25 -132.87 33.33 Favored Glycine 0 CA--C 1.537 1.417 0 CA-C-O 118.286 -1.285 . . . . 0.0 113.542 175.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -76.78 44.68 1.48 Allowed 'Trans proline' 0 CA--C 1.547 1.134 0 C-N-CA 124.757 3.638 . . . . 0.0 113.966 -172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -74.45 143.44 44.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.877 1.271 . . . . 0.0 110.616 173.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.6 m -96.19 162.27 13.6 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.747 1.219 . . . . 0.0 111.792 174.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -50.2 -52.97 31.25 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.816 0.846 . . . . 0.0 112.776 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.4 m -58.61 -34.54 71.24 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -175.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -74.07 -41.97 60.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.424 1.09 . . . . 0.0 112.451 175.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.61 98.47 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.591 0.756 . . . . 0.0 111.775 174.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -66.91 -44.4 80.82 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.897 1.279 . . . . 0.0 111.884 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -63.78 -28.8 70.12 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 119.108 0.867 . . . . 0.0 113.12 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.2 m -76.09 -53.68 7.96 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.34 0.656 . . . . 0.0 111.639 175.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.3 mp -74.06 -23.49 59.38 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.0 tp -70.7 -26.96 63.64 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.338 0.972 . . . . 0.0 112.408 172.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -86.85 -26.72 23.88 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.811 1.244 . . . . 0.0 112.953 174.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.4 mmm -77.7 160.74 73.9 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 125.158 1.383 . . . . 0.0 112.767 174.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -70.97 164.43 35.76 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 123.154 2.569 . . . . 0.0 112.289 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -57.41 141.1 48.5 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.197 1.399 . . . . 0.0 112.64 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.85 2.88 86.16 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.159 1.361 . . . . 0.0 115.22 -176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -77.15 130.14 36.92 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.355 1.078 . . . . 0.0 109.974 169.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -135.04 161.77 34.37 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 -176.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.58 160.63 42.43 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.295 1.438 . . . . 0.0 111.006 174.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.6 t -123.31 137.37 56.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 124.752 1.221 . . . . 0.0 109.796 171.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.0 ptt85 -136.88 160.39 39.03 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.94 1.296 . . . . 0.0 112.031 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -62.14 134.71 56.93 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.254 1.021 . . . . 0.0 110.556 169.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.0 t -77.43 132.41 38.46 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -169.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.3 m -59.16 121.86 12.37 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.47 1.508 . . . . 0.0 111.175 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m 53.84 22.34 3.22 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 -178.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.8 m -133.44 81.31 55.27 Favored Pre-proline 0 N--CA 1.474 0.748 0 C-N-CA 125.302 1.441 . . . . 0.0 110.961 -175.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -58.66 133.54 54.9 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.303 2.668 . . . . 0.0 113.56 -174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.05 -1.56 63.28 Favored Glycine 0 CA--C 1.54 1.636 0 C-N-CA 124.671 1.129 . . . . 0.0 115.59 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -101.99 163.18 12.38 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 118.861 1.33 . . . . 0.0 111.449 174.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -126.77 169.92 12.7 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.175 1.39 . . . . 0.0 112.117 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.3 t -137.19 129.56 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 124.67 1.188 . . . . 0.0 109.885 176.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.3 tp -90.36 125.09 35.42 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 125.609 1.563 . . . . 0.0 107.676 169.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 m -115.17 139.03 50.27 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 123.563 0.745 . . . . 0.0 109.818 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.8 t -142.86 137.72 29.77 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.785 0.834 . . . . 0.0 111.826 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -76.52 109.27 10.12 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 124.035 0.934 . . . . 0.0 109.084 173.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -143.34 144.32 32.04 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.9 t30 54.43 39.57 31.11 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.101 1.76 . . . . 0.0 113.687 171.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.22 8.81 75.7 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.525 1.059 . . . . 0.0 115.255 -178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -135.13 -172.1 2.97 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 126.855 2.062 . . . . 0.0 111.203 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.9 t -116.28 138.15 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.562 1.145 . . . . 0.0 109.452 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.5 p -123.34 153.49 40.23 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.629 1.572 . . . . 0.0 110.88 -173.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -138.35 139.93 39.25 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.74 1.216 . . . . 0.0 111.647 -173.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -141.6 124.21 15.92 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.412 1.485 . . . . 0.0 110.751 -174.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -78.24 135.68 37.63 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.266 -0.897 . . . . 0.0 112.17 -177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.6 mt -112.76 95.15 5.26 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.589 2.356 . . . . 0.0 107.502 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.1 m -91.14 144.05 26.04 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.396 1.079 . . . . 0.0 112.102 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.65 124.16 28.3 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.794 -0.566 . . . . 0.0 111.243 173.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -136.49 109.51 7.69 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.652 1.581 . . . . 0.0 109.441 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 52.96 30.3 9.14 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.02 1.328 . . . . 0.0 113.796 -171.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.91 -0.03 87.64 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 125.796 1.665 . . . . 0.0 115.267 -176.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -101.07 167.1 10.45 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.321 1.848 . . . . 0.0 111.258 175.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.3 mm -97.0 108.4 21.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.165 1.386 . . . . 0.0 110.977 -170.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -96.85 128.64 44.01 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.932 1.693 . . . . 0.0 110.333 175.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 tt -143.86 114.28 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.303 1.041 . . . . 0.0 110.142 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.7 t0 49.0 -118.09 1.03 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.099 1.359 . . . . 0.0 112.483 -170.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 42.5 p -87.1 -2.51 58.68 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.176 1.391 . . . . 0.0 113.995 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 36.0 m-70 -100.4 145.66 27.94 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.454 1.502 . . . . 0.0 111.547 -175.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 33.4 tp -128.88 128.54 44.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.634 1.574 . . . . 0.0 109.604 170.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -125.62 153.79 43.26 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 126.125 1.77 . . . . 0.0 111.17 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.53 -36.05 82.66 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -156.14 171.8 19.54 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.614 1.565 . . . . 0.0 111.627 -174.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 54.8 mt -63.03 -41.98 99.67 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.85 0.86 . . . . 0.0 112.976 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -63.4 -36.04 82.4 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.586 -0.696 . . . . 0.0 112.239 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.4 93.88 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.842 0.857 . . . . 0.0 112.58 172.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.57 76.81 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.326 0.651 . . . . 0.0 111.917 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.3 mm -56.91 -49.43 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.144 0.978 . . . . 0.0 110.58 174.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.6 m -60.87 -42.72 98.46 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.759 1.223 . . . . 0.0 112.116 179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -59.71 -43.76 93.99 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.233 -0.917 . . . . 0.0 111.522 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -76.95 -0.01 22.73 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 114.734 1.383 . . . . 0.0 114.734 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.6 mtt -92.47 -37.75 12.35 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.533 1.133 . . . . 0.0 110.399 166.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -75.93 -33.66 59.86 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.7 1.2 . . . . 0.0 112.52 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -128.64 153.5 47.22 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.284 1.834 . . . . 0.0 111.457 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -67.4 140.45 57.17 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.41 -0.806 . . . . 0.0 111.647 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tt -79.25 -62.11 1.8 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.68 1.192 . . . . 0.0 110.506 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.03 -63.32 0.32 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.299 1.439 . . . . 0.0 110.644 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -92.31 -34.07 14.36 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.411 1.084 . . . . 0.0 112.79 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -160.05 -175.49 5.12 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.001 1.72 . . . . 0.0 111.056 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.4 m -86.62 155.39 20.45 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.585 1.554 . . . . 0.0 112.04 170.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.9 mt -61.98 140.73 58.32 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.654 1.182 . . . . 0.0 110.682 169.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -118.29 -46.68 2.59 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -151.61 144.49 16.96 Favored Pre-proline 0 N--CA 1.475 0.793 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -173.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -73.9 140.89 29.36 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 122.999 2.466 . . . . 0.0 111.54 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.16 141.04 56.55 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.548 0.739 . . . . 0.0 111.009 170.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.0 mm-40 -94.74 147.83 22.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.59 1.156 . . . . 0.0 111.699 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 . . . . . 0 C--O 1.251 1.151 0 C-N-CA 126.41 1.884 . . . . 0.0 112.713 -179.174 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.573 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 77.0 p -148.19 175.46 11.03 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.322 1.449 . . . . 0.0 112.275 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 53.3 p -75.27 -3.04 30.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.088 1.355 . . . . 0.0 114.446 173.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 72.97 -167.38 54.14 Favored Glycine 0 CA--C 1.538 1.47 0 C-N-CA 124.562 1.077 . . . . 0.0 114.158 -176.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 10.9 t -149.35 160.36 43.48 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.316 1.446 . . . . 0.0 111.731 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.5 t -149.68 159.54 44.26 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.288 1.435 . . . . 0.0 112.095 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -76.78 -175.07 40.76 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.041 1.305 . . . . 0.0 114.54 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.26 158.97 43.25 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.685 1.594 . . . . 0.0 112.437 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.17 20.48 17.35 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.353 1.461 . . . . 0.0 113.66 -174.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -83.44 32.12 0.46 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.429 1.491 . . . . 0.0 114.232 -169.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.8 156.12 28.92 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.872 1.269 . . . . 0.0 112.555 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.97 -178.91 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.56 1.944 . . . . 0.0 114.893 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.41 148.63 95.54 Favored Pre-proline 0 CA--C 1.549 0.927 0 C-N-CA 124.148 0.979 . . . . 0.0 111.992 177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -66.21 -23.42 52.45 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.998 2.465 . . . . 0.0 113.644 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.5 p-90 -84.72 -7.16 59.32 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.335 1.454 . . . . 0.0 114.315 174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -89.58 129.56 36.02 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 120.617 1.553 . . . . 0.0 112.284 -178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.0 m-70 -122.74 9.89 9.57 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.091 1.356 . . . . 0.0 114.301 -177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.76 -142.47 43.72 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-O 118.66 -1.078 . . . . 0.0 113.288 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -77.64 54.89 4.97 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.429 3.42 . . . . 0.0 113.23 -176.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.88 136.7 43.43 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.632 1.173 . . . . 0.0 110.586 174.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.4 m -82.63 159.94 22.58 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.783 0.833 . . . . 0.0 112.051 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -50.94 -53.82 29.56 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.589 0.756 . . . . 0.0 112.388 175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.5 m -58.2 -36.28 72.87 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -174.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -70.23 -43.8 69.88 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.143 0.977 . . . . 0.0 112.287 175.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.9 99.93 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.414 0.686 . . . . 0.0 112.017 174.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.97 -43.55 78.72 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.728 1.211 . . . . 0.0 112.358 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -65.77 -34.45 78.2 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.366 0.984 . . . . 0.0 112.107 175.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -67.52 -50.47 58.6 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.029 0.531 . . . . 0.0 111.794 175.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -76.68 -22.94 53.29 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.1 tp -72.45 -28.15 62.75 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.301 0.955 . . . . 0.0 112.248 171.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -78.54 -33.09 48.14 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.348 1.059 . . . . 0.0 112.455 172.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 89.6 mmm -77.09 161.66 72.5 Favored Pre-proline 0 CA--C 1.546 0.8 0 C-N-CA 125.29 1.436 . . . . 0.0 113.103 176.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -72.46 164.16 36.43 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.207 2.605 . . . . 0.0 112.651 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -54.53 132.34 44.67 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.486 1.514 . . . . 0.0 112.266 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 93.41 3.32 65.01 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.413 1.482 . . . . 0.0 114.912 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.7 m -75.67 131.81 40.15 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.794 0.838 . . . . 0.0 109.736 169.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -133.93 161.84 33.67 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -148.24 160.73 42.65 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.975 1.31 . . . . 0.0 111.394 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.6 t -122.82 138.22 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 124.901 1.281 . . . . 0.0 109.988 171.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -138.67 155.3 48.39 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.501 1.52 . . . . 0.0 111.572 -176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -63.7 135.08 56.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.483 0.713 . . . . 0.0 109.808 169.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.6 t -67.43 127.96 34.63 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 122.184 0.992 . . . . 0.0 113.613 -168.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 p -75.55 -10.01 59.07 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.462 1.505 . . . . 0.0 113.214 170.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.2 m -91.76 -42.53 10.07 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.118 0.967 . . . . 0.0 112.898 174.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.0 m -145.87 116.23 4.85 Favored Pre-proline 0 N--CA 1.476 0.829 0 C-N-CA 124.207 1.003 . . . . 0.0 112.376 -169.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -56.78 138.26 84.72 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 122.934 2.423 . . . . 0.0 113.164 176.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.07 -8.85 68.52 Favored Glycine 0 CA--C 1.54 1.616 0 C-N-CA 124.826 1.203 . . . . 0.0 115.437 -178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -99.02 165.75 11.59 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.804 1.302 . . . . 0.0 110.906 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -122.82 167.7 13.19 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.493 1.117 . . . . 0.0 111.972 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.4 t -136.27 129.96 47.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 124.928 1.291 . . . . 0.0 109.825 177.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.7 tp -91.03 125.35 35.8 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 126.229 1.812 . . . . 0.0 108.058 169.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -115.15 138.91 50.37 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.919 0.887 . . . . 0.0 109.897 174.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.5 t -144.43 139.22 28.23 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.884 0.873 . . . . 0.0 112.402 -175.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.5 p -79.7 100.99 8.15 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.376 1.07 . . . . 0.0 110.494 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -138.56 154.16 48.72 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -177.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 56.65 30.45 17.47 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.46 1.504 . . . . 0.0 113.844 172.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.22 12.31 79.64 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 124.189 0.899 . . . . 0.0 114.77 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -136.13 -166.65 1.91 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.848 2.459 . . . . 0.0 110.255 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.2 t -119.76 138.77 49.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.363 1.065 . . . . 0.0 109.312 169.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 74.1 p -122.43 154.59 37.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.829 1.652 . . . . 0.0 111.115 -173.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 -137.05 140.46 42.05 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.78 1.232 . . . . 0.0 111.726 -175.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -141.45 128.9 21.27 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.642 1.577 . . . . 0.0 110.476 -174.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -76.63 131.26 38.76 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.206 -0.934 . . . . 0.0 112.408 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 mt -103.92 89.82 3.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 127.246 2.218 . . . . 0.0 107.256 170.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.9 m -85.26 136.98 33.27 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.668 1.587 . . . . 0.0 111.937 -172.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.14 128.49 33.81 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.53 -0.731 . . . . 0.0 111.329 174.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -142.48 110.42 5.9 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.114 1.366 . . . . 0.0 110.141 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 50.62 32.56 6.95 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.254 1.422 . . . . 0.0 114.748 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.28 -2.64 88.05 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 126.033 1.778 . . . . 0.0 115.354 -177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -98.18 167.15 11.05 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.696 1.999 . . . . 0.0 111.792 173.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.7 mm -104.82 116.45 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.967 1.707 . . . . 0.0 110.307 -178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.8 ttm-85 -98.18 139.38 34.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.582 1.553 . . . . 0.0 110.999 170.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.6 tt -152.59 129.36 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.979 0.912 . . . . 0.0 111.366 174.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 55.48 -75.98 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.69 2.396 . . . . 0.0 114.533 -172.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.7 t -140.81 -4.85 1.19 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.491 1.916 . . . . 0.0 112.957 175.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -96.3 157.28 15.97 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 126.619 1.968 . . . . 0.0 111.41 -174.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 20.8 tp -133.1 134.22 43.97 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.639 1.576 . . . . 0.0 110.688 176.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -135.14 156.37 49.11 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.017 1.727 . . . . 0.0 112.136 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -63.94 -36.37 83.74 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -156.7 172.83 17.91 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.379 1.472 . . . . 0.0 112.179 -172.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.63 -43.15 99.52 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.134 0.974 . . . . 0.0 113.167 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -63.88 -35.02 79.28 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.531 -0.73 . . . . 0.0 112.401 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.36 -38.87 91.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.826 0.85 . . . . 0.0 112.608 172.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.04 -42.94 83.98 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.342 0.657 . . . . 0.0 112.164 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.2 mm -58.56 -51.06 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.197 0.999 . . . . 0.0 110.484 172.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -60.07 -42.01 93.63 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.593 1.157 . . . . 0.0 112.172 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -58.0 -43.76 86.84 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.199 -0.938 . . . . 0.0 111.713 173.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -78.19 2.31 18.62 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.2 mtt -93.5 -35.65 12.83 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.25 1.02 . . . . 0.0 110.247 166.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -78.33 -28.8 47.37 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.348 1.059 . . . . 0.0 113.237 175.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -131.87 151.76 51.48 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.972 1.709 . . . . 0.0 111.638 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.87 140.2 56.54 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.535 -0.728 . . . . 0.0 111.669 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.6 tt -81.27 -61.82 1.84 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.471 1.108 . . . . 0.0 110.731 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.4 -70.23 0.36 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.246 1.418 . . . . 0.0 110.322 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -90.61 -31.4 16.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.135 0.974 . . . . 0.0 113.135 178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.0 t -158.23 -178.11 7.04 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.465 1.506 . . . . 0.0 111.578 177.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.7 m -85.84 157.06 20.31 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.592 1.557 . . . . 0.0 111.89 170.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 mt -62.6 138.87 58.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.399 1.08 . . . . 0.0 110.647 169.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -114.46 -49.71 2.82 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -152.26 147.4 19.57 Favored Pre-proline 0 CA--C 1.542 0.663 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -70.37 150.0 63.85 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.374 2.05 . . . . 0.0 111.175 171.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.9 tp -57.5 130.76 47.76 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.494 -0.754 . . . . 0.0 109.589 169.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -74.15 144.47 44.84 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.326 0.65 . . . . 0.0 112.033 -171.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.7 mtp-105 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.178 1.791 . . . . 0.0 112.248 -175.181 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 67.1 p -86.61 -8.31 57.6 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.229 1.412 . . . . 0.0 114.715 -178.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 56.2 p -72.89 163.01 28.79 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.526 1.531 . . . . 0.0 113.509 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -164.13 175.61 40.21 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.921 1.248 . . . . 0.0 113.35 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 23.6 m -68.42 145.25 54.28 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.512 1.125 . . . . 0.0 113.658 -174.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 78.8 p -144.67 -35.84 0.33 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.131 1.373 . . . . 0.0 113.343 174.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -79.81 8.65 48.78 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 125.286 1.422 . . . . 0.0 115.902 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.85 -10.69 59.69 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -176.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.41 145.31 54.23 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.847 0.859 . . . . 0.0 112.063 174.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -151.34 144.85 24.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.035 1.334 . . . . 0.0 111.161 -175.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 59.88 -178.63 0.09 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 127.177 2.191 . . . . 0.0 115.381 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.86 174.08 0.07 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.333 2.253 . . . . 0.0 115.034 -171.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.67 150.27 95.38 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 124.205 1.002 . . . . 0.0 111.904 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -65.29 -23.01 59.75 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.097 2.532 . . . . 0.0 113.545 -176.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -86.61 -5.93 59.0 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.655 1.582 . . . . 0.0 114.379 174.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -90.57 131.48 36.27 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.605 1.548 . . . . 0.0 112.673 -177.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -124.19 10.75 8.74 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.384 1.474 . . . . 0.0 114.589 -175.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.1 -146.02 45.57 Favored Glycine 0 CA--C 1.539 1.558 0 O-C-N 120.682 -1.261 . . . . 0.0 113.944 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -66.99 37.32 0.15 Allowed 'Trans proline' 0 CA--C 1.548 1.207 1 C-N-CA 125.71 4.273 . . . . 0.0 117.095 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.4 tp -65.05 140.78 58.87 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.986 1.314 . . . . 0.0 110.961 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.7 t -93.86 170.61 9.43 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.854 0.862 . . . . 0.0 112.03 174.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -54.07 -53.82 47.92 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.913 0.885 . . . . 0.0 111.928 175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -58.74 -37.18 75.62 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.087 0.555 . . . . 0.0 112.467 -173.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -69.57 -43.63 72.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.105 0.962 . . . . 0.0 112.239 175.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.93 -42.71 97.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.535 0.734 . . . . 0.0 112.086 175.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -64.72 -45.58 85.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.14 1.376 . . . . 0.0 111.763 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -65.93 -34.12 77.39 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.036 0.835 . . . . 0.0 112.225 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.9 m -69.2 -49.12 59.5 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.081 0.552 . . . . 0.0 112.048 176.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -78.96 -23.35 44.63 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.9 tp -70.56 -27.1 63.88 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.482 1.037 . . . . 0.0 112.167 171.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -78.53 -33.04 48.18 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.504 1.121 . . . . 0.0 112.611 172.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.4 mmm -78.06 161.73 69.78 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.45 1.5 . . . . 0.0 113.114 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.83 163.57 38.05 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.259 2.639 . . . . 0.0 112.531 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -54.46 132.77 45.18 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.372 1.469 . . . . 0.0 112.08 174.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.31 2.24 64.01 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.088 1.328 . . . . 0.0 114.937 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.6 m -75.65 134.23 40.66 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.835 0.854 . . . . 0.0 109.597 169.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -137.25 162.62 33.02 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 pp -148.26 159.53 43.89 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.074 1.35 . . . . 0.0 111.341 174.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.1 t -122.0 139.72 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 124.776 1.231 . . . . 0.0 109.936 170.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -139.46 154.71 47.8 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.311 1.444 . . . . 0.0 111.718 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.72 133.94 55.56 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 168.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.5 t -66.22 136.93 56.57 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 -167.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.46 -9.13 58.36 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.559 1.544 . . . . 0.0 113.256 170.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 m -78.37 -56.14 4.68 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.176 0.898 . . . . 0.0 111.467 169.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.7 m -153.67 142.54 14.55 Favored Pre-proline 0 N--CA 1.475 0.821 0 C-N-CA 125.843 1.657 . . . . 0.0 111.293 -175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -66.47 146.33 79.7 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 122.693 2.262 . . . . 0.0 112.041 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.56 -17.51 51.9 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.67 1.129 . . . . 0.0 114.547 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -92.69 161.7 14.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.695 1.198 . . . . 0.0 108.738 166.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -126.87 165.96 18.37 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.179 -0.951 . . . . 0.0 112.681 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -137.47 130.33 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 124.977 1.311 . . . . 0.0 109.818 177.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HB2' HD11 ' A' ' 57' ' ' LEU . 43.8 tp -92.16 124.23 36.09 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 126.076 1.75 . . . . 0.0 108.142 170.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -116.18 135.78 53.6 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.88 0.872 . . . . 0.0 109.972 176.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 86.0 m -137.99 141.64 40.45 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.32 1.048 . . . . 0.0 112.509 -172.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.0 p -82.61 101.98 11.14 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.093 0.957 . . . . 0.0 110.027 172.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -139.93 151.86 45.92 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -176.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 56.57 30.68 17.72 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.194 1.398 . . . . 0.0 113.84 170.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.41 12.5 80.08 Favored Glycine 0 CA--C 1.54 1.641 0 C-N-CA 124.391 0.996 . . . . 0.0 114.913 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -137.46 -167.28 2.09 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.722 2.409 . . . . 0.0 110.512 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.61 135.61 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.399 1.08 . . . . 0.0 109.469 170.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.0 p -121.84 158.98 27.72 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.42 1.488 . . . . 0.0 111.53 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -133.91 141.14 47.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.155 1.382 . . . . 0.0 111.307 -176.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -138.34 126.92 23.41 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.576 1.55 . . . . 0.0 110.73 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -74.53 127.95 34.35 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 121.534 -0.729 . . . . 0.0 111.869 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 44' ' ' LEU . 16.3 mt -105.61 80.44 1.56 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.038 2.135 . . . . 0.0 107.231 169.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.9 m -78.71 141.43 37.91 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.102 1.361 . . . . 0.0 111.816 -174.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.16 129.22 34.23 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.773 -0.579 . . . . 0.0 111.34 174.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -141.51 112.09 7.07 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.442 1.497 . . . . 0.0 109.754 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 52.35 31.16 9.06 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.028 1.331 . . . . 0.0 114.429 -176.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.21 2.02 90.5 Favored Glycine 0 CA--C 1.539 1.591 0 C-N-CA 125.685 1.612 . . . . 0.0 115.196 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -109.15 174.43 5.87 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.118 2.167 . . . . 0.0 111.117 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.4 mm -105.6 119.97 55.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.114 1.366 . . . . 0.0 111.19 -171.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -105.29 128.36 53.42 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.874 1.669 . . . . 0.0 109.909 171.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.3 tt -139.18 122.08 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.166 1.386 . . . . 0.0 109.508 175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.4 t70 51.88 -113.97 0.78 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.32 1.048 . . . . 0.0 110.367 -167.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.3 p -93.66 -18.59 21.98 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.654 1.116 . . . . 0.0 113.904 171.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 55.1 m-70 -79.41 134.95 36.57 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.37 1.468 . . . . 0.0 111.778 -170.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.9 tp -108.62 132.96 53.37 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.837 1.255 . . . . 0.0 110.48 169.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -130.25 153.81 48.23 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 126.662 1.985 . . . . 0.0 110.846 177.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -65.31 -36.25 83.48 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.0 p30 -156.4 172.48 18.44 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.545 1.538 . . . . 0.0 111.617 -174.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 mt -62.21 -42.4 99.27 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.735 0.814 . . . . 0.0 113.087 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.27 -35.52 81.11 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.623 -0.673 . . . . 0.0 112.196 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.76 -39.28 93.36 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.71 0.804 . . . . 0.0 112.642 172.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.44 -45.37 80.04 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.239 0.615 . . . . 0.0 112.085 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -58.27 -49.13 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.893 0.877 . . . . 0.0 110.548 173.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.7 m -60.02 -40.6 89.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.683 1.193 . . . . 0.0 112.184 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -60.96 -45.3 95.31 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.183 -0.948 . . . . 0.0 111.599 173.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -77.27 -4.87 47.11 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 177.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.9 mmt -80.23 -38.19 31.55 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 120.849 -1.157 . . . . 0.0 110.06 166.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.37 -29.06 26.55 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.894 1.278 . . . . 0.0 113.481 -179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -128.51 155.17 45.28 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.95 1.7 . . . . 0.0 111.715 -176.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -70.25 138.99 52.1 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.086 -1.009 . . . . 0.0 111.675 177.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 tt -80.35 -61.13 2.07 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.799 1.24 . . . . 0.0 110.468 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -146.32 -62.72 0.31 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.322 1.449 . . . . 0.0 110.609 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -92.61 -34.92 13.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.336 1.054 . . . . 0.0 112.878 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -158.42 -176.86 6.14 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.693 1.597 . . . . 0.0 111.016 175.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 p -89.82 161.07 16.18 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.771 1.628 . . . . 0.0 112.228 169.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 59.5 mt -64.87 146.26 55.16 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.837 1.255 . . . . 0.0 111.21 174.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -121.51 -48.53 2.17 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -153.39 146.99 18.24 Favored Pre-proline 0 CA--C 1.544 0.732 0 N-CA-C 113.677 0.992 . . . . 0.0 113.677 -173.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -70.65 147.6 57.48 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 122.599 2.2 . . . . 0.0 111.082 171.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.9 tp -57.57 134.02 55.77 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.691 -0.631 . . . . 0.0 110.554 169.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -82.66 152.32 25.9 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.179 0.992 . . . . 0.0 112.007 -177.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.841 1.656 . . . . 0.0 112.571 -177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.037 -0.425 . . . . 0.0 112.037 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 59.8 p -148.38 175.72 10.87 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.283 1.433 . . . . 0.0 112.211 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.1 m -72.46 -3.6 25.29 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.724 1.21 . . . . 0.0 114.258 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 75.14 13.2 82.94 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.455 1.026 . . . . 0.0 114.542 -174.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 80.9 p -147.69 163.99 34.93 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.584 1.954 . . . . 0.0 111.813 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 78.2 p -150.03 167.43 26.78 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.581 1.153 . . . . 0.0 112.596 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -71.48 0.65 32.74 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 124.513 1.054 . . . . 0.0 115.224 174.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt -76.01 -20.29 57.95 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.826 1.313 . . . . 0.0 113.268 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.25 136.21 36.99 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.252 1.021 . . . . 0.0 112.258 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.93 -0.1 2.34 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.912 1.285 . . . . 0.0 113.417 -176.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 53.98 -152.87 0.3 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.834 1.654 . . . . 0.0 113.298 -172.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.79 166.88 14.49 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.703 1.201 . . . . 0.0 113.405 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.01 147.27 45.33 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.328 1.051 . . . . 0.0 112.146 174.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -64.01 -25.86 66.35 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.199 2.6 . . . . 0.0 113.917 -169.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.4 p-90 -78.25 -10.04 59.48 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.896 1.278 . . . . 0.0 114.296 174.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -92.86 128.37 38.7 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 120.563 1.529 . . . . 0.0 112.612 -174.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -119.46 1.82 11.22 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.192 1.397 . . . . 0.0 114.581 -175.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 64.78 -133.92 37.74 Favored Glycine 0 CA--C 1.539 1.546 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.739 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -77.8 49.94 3.1 Favored 'Trans proline' 0 CA--C 1.548 1.207 0 C-N-CA 124.551 3.5 . . . . 0.0 113.815 -173.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 tp -73.42 152.07 40.93 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.873 1.269 . . . . 0.0 110.776 171.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.4 m -103.56 161.87 13.52 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.958 1.303 . . . . 0.0 112.039 174.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -54.67 -45.77 73.94 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.55 -0.718 . . . . 0.0 112.459 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.8 m -58.93 -38.43 78.96 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.786 0.834 . . . . 0.0 112.548 -178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.49 -41.11 69.73 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.913 0.885 . . . . 0.0 111.964 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.52 -42.2 98.48 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.229 0.612 . . . . 0.0 112.134 174.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.96 -49.89 74.29 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.885 1.274 . . . . 0.0 111.735 176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -65.19 -29.71 70.55 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.547 0.612 . . . . 0.0 112.511 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.3 m -74.3 -47.62 33.55 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.26 0.624 . . . . 0.0 112.506 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -81.22 -25.82 36.39 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.89 1.071 . . . . 0.0 113.89 -175.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 46.4 tp -66.0 -24.13 66.71 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.644 1.111 . . . . 0.0 112.182 173.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -80.14 -20.56 44.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.176 1.39 . . . . 0.0 113.12 172.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.2 mmm -98.32 160.41 28.26 Favored Pre-proline 0 CA--C 1.546 0.81 0 C-N-CA 125.843 1.657 . . . . 0.0 113.088 -174.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -72.01 160.29 47.94 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 123.174 2.583 . . . . 0.0 112.263 174.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -57.0 134.08 55.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.202 1.401 . . . . 0.0 112.866 178.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.73 2.58 67.05 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.658 1.123 . . . . 0.0 114.951 -174.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 31.3 m -77.39 128.48 34.33 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.517 1.159 . . . . 0.0 109.199 168.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -135.93 162.08 33.85 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -174.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.1 pp -145.67 161.26 40.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.208 1.403 . . . . 0.0 111.314 173.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.0 t -124.06 139.46 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.221 1.408 . . . . 0.0 109.568 171.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.0 ptt85 -137.27 160.83 37.9 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.091 1.356 . . . . 0.0 111.805 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.58 133.92 53.28 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.501 1.12 . . . . 0.0 110.241 169.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 t -74.63 135.16 41.98 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -169.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 m -60.33 116.46 4.29 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.101 1.36 . . . . 0.0 111.134 -175.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 m 53.57 25.54 4.94 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.103 1.52 . . . . 0.0 115.103 -177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 t -136.15 68.81 63.14 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 125.309 1.443 . . . . 0.0 109.965 -178.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -63.07 139.68 74.38 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 123.2 2.6 . . . . 0.0 112.456 -170.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.64 -12.24 56.93 Favored Glycine 0 CA--C 1.54 1.617 0 C-N-CA 124.847 1.213 . . . . 0.0 114.666 -173.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -96.65 158.23 15.53 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.785 1.293 . . . . 0.0 110.646 169.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -122.85 171.07 9.47 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.192 0.997 . . . . 0.0 111.397 178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.0 t -134.66 126.29 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.253 1.021 . . . . 0.0 109.671 176.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.5 tp -87.03 123.22 31.89 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.282 1.433 . . . . 0.0 107.7 169.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -115.17 136.24 53.32 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.515 0.726 . . . . 0.0 109.893 172.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.5 t -139.52 144.12 37.74 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.944 0.898 . . . . 0.0 112.052 -174.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.4 p -78.59 114.14 17.24 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.256 -0.903 . . . . 0.0 108.873 170.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -142.02 136.29 30.1 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.437 1.095 . . . . 0.0 112.4 -174.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 t30 52.64 37.53 23.64 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.055 1.742 . . . . 0.0 114.01 173.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 8.43 74.73 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.24 0.924 . . . . 0.0 115.376 -178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -130.39 -170.3 2.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.328 2.251 . . . . 0.0 110.692 176.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.4 t -122.54 134.31 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.341 1.057 . . . . 0.0 110.245 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.7 p -113.26 159.47 19.31 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.462 1.905 . . . . 0.0 111.46 -177.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -140.92 136.92 32.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.195 1.398 . . . . 0.0 111.054 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -140.35 128.0 21.65 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.191 1.396 . . . . 0.0 111.412 -175.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -70.53 134.82 48.05 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 118.935 0.789 . . . . 0.0 112.223 177.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.0 mt -108.08 81.07 1.44 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.946 2.498 . . . . 0.0 105.829 168.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 75.6 m -77.77 139.92 39.4 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 124.958 1.303 . . . . 0.0 111.623 -172.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.5 127.94 32.87 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.106 0.563 . . . . 0.0 111.293 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -139.8 106.78 5.43 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.682 1.593 . . . . 0.0 109.55 -179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 51.88 31.5 8.49 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.917 1.287 . . . . 0.0 114.222 -174.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.01 -0.87 89.32 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.749 1.643 . . . . 0.0 115.33 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 mttm -103.03 172.61 6.72 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.667 1.987 . . . . 0.0 111.237 174.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.4 mm -107.96 118.63 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.072 1.349 . . . . 0.0 111.368 -169.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -104.99 127.92 53.06 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.023 1.729 . . . . 0.0 110.159 173.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.5 tt -139.21 127.33 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.768 1.227 . . . . 0.0 110.687 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 55.88 -83.43 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.381 1.873 . . . . 0.0 112.35 -168.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.5 p -134.37 -12.27 2.42 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.734 2.013 . . . . 0.0 113.009 171.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -81.51 136.99 35.63 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.706 1.602 . . . . 0.0 110.972 -176.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.0 tp -106.94 133.21 51.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.717 1.207 . . . . 0.0 110.882 171.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -130.39 153.25 48.92 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 126.469 1.908 . . . . 0.0 111.138 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.49 -35.58 81.31 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -155.96 172.52 18.24 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.645 1.578 . . . . 0.0 111.252 -173.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -47.85 84.09 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.875 0.87 . . . . 0.0 112.159 -177.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -64.12 -32.05 73.47 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.948 0.899 . . . . 0.0 112.753 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.19 86.77 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 121.57 -0.707 . . . . 0.0 112.578 171.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.42 -40.59 81.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.123 0.569 . . . . 0.0 112.002 174.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.2 mm -57.88 -51.67 67.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 CA-C-O 121.514 0.673 . . . . 0.0 109.897 171.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.0 m -59.2 -40.7 86.6 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.264 1.426 . . . . 0.0 112.265 -177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -60.24 -45.08 94.47 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.323 -0.861 . . . . 0.0 111.927 174.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -80.22 -3.84 50.72 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.6 mmt -80.37 -38.8 29.7 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.955 -1.091 . . . . 0.0 109.654 166.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -82.1 -29.66 31.63 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.867 1.267 . . . . 0.0 113.472 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -127.29 152.99 46.72 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.596 1.558 . . . . 0.0 111.803 -177.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -69.43 140.4 54.11 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.009 -1.057 . . . . 0.0 111.442 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.36 -62.89 1.55 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.903 1.281 . . . . 0.0 110.883 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.82 -48.76 0.29 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.605 1.162 . . . . 0.0 111.318 175.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -112.64 -33.92 5.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.653 1.581 . . . . 0.0 111.558 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -152.94 174.27 14.33 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.708 1.203 . . . . 0.0 112.906 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 54.8 p -88.53 159.13 18.07 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.755 1.622 . . . . 0.0 112.824 174.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.9 mt -67.32 143.35 56.44 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.504 1.122 . . . . 0.0 110.111 169.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -134.1 -38.97 0.86 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -154.58 146.56 17.17 Favored Pre-proline 0 CA--C 1.541 0.634 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -70.58 147.55 57.86 Favored 'Trans proline' 0 CA--C 1.537 0.646 0 C-N-CA 122.366 2.044 . . . . 0.0 110.75 169.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 68.7 tp -58.71 131.89 52.23 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.525 -0.734 . . . . 0.0 109.53 168.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.1 mm-40 -75.92 140.04 41.91 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.745 -0.597 . . . . 0.0 112.12 -171.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.411 1.484 . . . . 0.0 113.569 -179.274 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 37.5 m -67.0 148.03 52.48 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.346 1.058 . . . . 0.0 113.07 -179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 60.4 p -82.49 -22.8 34.96 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -72.56 143.07 33.42 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.42 1.01 . . . . 0.0 113.526 178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 76.4 p -105.57 -0.63 25.59 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.686 1.595 . . . . 0.0 114.516 -177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.6 m -64.8 150.58 47.24 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.403 1.481 . . . . 0.0 113.733 -175.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -172.73 166.99 39.78 Favored Glycine 0 CA--C 1.535 1.336 0 C-N-CA 125.081 1.324 . . . . 0.0 112.888 177.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.0 mtm -87.71 142.82 27.53 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.341 1.056 . . . . 0.0 112.362 -178.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.93 152.62 32.76 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.497 1.519 . . . . 0.0 111.703 175.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.14 149.23 26.87 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.665 1.586 . . . . 0.0 111.26 175.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.79 137.89 16.45 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.177 1.391 . . . . 0.0 111.77 176.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 52.38 -169.02 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.301 1.84 . . . . 0.0 114.552 -179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.68 147.14 94.34 Favored Pre-proline 0 CA--C 1.549 0.915 0 O-C-N 121.089 -1.007 . . . . 0.0 110.457 169.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -65.59 -26.83 53.79 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 122.848 2.365 . . . . 0.0 113.586 -171.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -79.35 -8.25 58.94 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.357 1.463 . . . . 0.0 114.392 175.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -83.43 133.27 34.93 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.444 1.475 . . . . 0.0 112.012 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 39.5 m-70 -123.8 7.63 8.75 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.475 1.51 . . . . 0.0 114.203 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -147.81 48.72 Favored Glycine 0 CA--C 1.539 1.555 0 O-C-N 120.964 -1.085 . . . . 0.0 113.604 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -68.64 42.58 0.28 Allowed 'Trans proline' 0 CA--C 1.548 1.192 1 C-N-CA 125.459 4.106 . . . . 0.0 116.513 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.2 tp -66.32 140.08 58.08 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.681 1.192 . . . . 0.0 110.953 176.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 m -88.47 161.32 17.08 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.174 0.989 . . . . 0.0 112.296 175.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -50.49 -53.9 26.37 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.857 0.863 . . . . 0.0 112.629 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.7 m -58.26 -36.69 73.61 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.12 -43.45 70.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.192 0.997 . . . . 0.0 112.234 174.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.2 99.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.549 0.74 . . . . 0.0 111.946 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -67.44 -45.19 76.76 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.647 1.179 . . . . 0.0 112.19 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -65.61 -32.38 73.93 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.167 0.894 . . . . 0.0 112.284 176.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.0 m -69.8 -50.75 40.06 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.979 0.512 . . . . 0.0 111.97 175.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -77.21 -24.23 51.35 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -175.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.4 tp -70.6 -27.29 63.99 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.486 1.039 . . . . 0.0 112.261 172.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -78.19 -32.99 50.34 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.543 1.137 . . . . 0.0 112.475 172.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 90.3 mmm -78.79 161.3 69.54 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.604 1.562 . . . . 0.0 113.254 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -71.18 160.87 47.7 Favored 'Trans proline' 0 CA--C 1.536 0.607 0 C-N-CA 123.102 2.534 . . . . 0.0 112.236 172.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -57.35 133.43 55.13 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.088 1.355 . . . . 0.0 112.192 176.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 95.56 1.94 61.88 Favored Glycine 0 CA--C 1.533 1.211 0 C-N-CA 125.192 1.377 . . . . 0.0 114.553 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.4 m -76.64 130.03 37.23 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.818 0.847 . . . . 0.0 108.99 168.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -136.39 162.5 32.85 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -176.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -147.29 158.61 44.02 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.08 1.352 . . . . 0.0 110.774 175.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.1 t -122.56 136.2 60.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 124.596 1.158 . . . . 0.0 109.526 171.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.8 ptt85 -134.9 154.46 51.67 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.995 1.318 . . . . 0.0 111.493 -175.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -64.75 133.17 51.49 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.335 0.654 . . . . 0.0 109.477 169.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.3 t -67.29 129.09 38.78 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -168.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.5 p -81.97 -7.22 59.6 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.613 1.565 . . . . 0.0 112.724 169.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.7 m -105.91 -29.38 10.01 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.912 1.285 . . . . 0.0 113.852 -176.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.6 m -147.23 125.65 6.14 Favored Pre-proline 0 N--CA 1.477 0.895 0 C-N-CA 124.175 0.99 . . . . 0.0 112.153 -176.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -58.01 137.85 82.99 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 122.803 2.335 . . . . 0.0 113.407 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.77 -2.94 62.1 Favored Glycine 0 CA--C 1.54 1.656 0 N-CA-C 116.308 1.283 . . . . 0.0 116.308 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -100.33 164.99 11.68 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.117 1.459 . . . . 0.0 112.173 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -114.68 169.63 8.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.865 1.266 . . . . 0.0 111.401 173.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.2 t -136.63 129.97 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.85 1.26 . . . . 0.0 110.002 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.7 tp -89.43 124.99 34.98 Favored 'General case' 0 N--CA 1.463 0.187 0 C-N-CA 125.977 1.711 . . . . 0.0 108.071 169.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.1 m -114.96 136.6 52.94 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.631 0.772 . . . . 0.0 109.749 171.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 19.3 t -139.84 142.8 36.58 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.018 0.927 . . . . 0.0 111.887 -174.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.3 p -79.99 111.63 16.51 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 122.046 0.927 . . . . 0.0 109.369 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -134.57 133.0 39.77 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.313 1.045 . . . . 0.0 112.84 -175.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 52.42 37.35 22.42 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.526 1.53 . . . . 0.0 113.731 174.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.58 7.06 82.7 Favored Glycine 0 CA--C 1.54 1.595 0 N-CA-C 115.582 0.993 . . . . 0.0 115.582 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 -170.02 2.24 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.881 2.073 . . . . 0.0 110.909 174.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.03 136.49 58.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.986 0.914 . . . . 0.0 110.953 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.2 p -117.18 158.19 24.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 126.543 1.937 . . . . 0.0 111.416 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -138.66 136.96 36.41 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.014 1.326 . . . . 0.0 111.285 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -139.24 129.6 25.55 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.643 1.577 . . . . 0.0 111.144 -175.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.8 mtpt -70.24 137.65 51.0 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.25 -0.906 . . . . 0.0 112.502 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.4 mt -111.64 81.12 1.4 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.474 2.31 . . . . 0.0 105.962 168.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.3 m -80.2 143.07 34.09 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.897 1.279 . . . . 0.0 112.131 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.17 129.48 35.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.435 0.694 . . . . 0.0 112.111 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -133.64 105.51 6.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.413 1.485 . . . . 0.0 109.785 171.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 51.68 31.89 8.54 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.993 1.317 . . . . 0.0 114.075 -178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.56 -9.13 78.2 Favored Glycine 0 CA--C 1.537 1.469 0 C-N-CA 125.983 1.754 . . . . 0.0 115.375 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -85.1 162.08 19.42 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.274 1.43 . . . . 0.0 111.495 170.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.9 mm -109.98 119.58 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.851 1.66 . . . . 0.0 110.652 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 tpp180 -103.22 129.23 50.11 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.306 1.842 . . . . 0.0 110.235 174.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.3 tt -139.49 129.77 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.301 1.04 . . . . 0.0 110.827 172.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 56.43 -85.46 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.411 1.884 . . . . 0.0 112.336 -168.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -131.27 -11.5 3.63 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.49 1.916 . . . . 0.0 112.867 171.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -86.85 139.58 30.52 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.919 2.087 . . . . 0.0 111.18 -171.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.7 tp -115.29 135.75 53.83 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.082 1.353 . . . . 0.0 111.723 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -134.25 156.99 47.43 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.362 1.865 . . . . 0.0 111.931 -176.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -65.05 -34.9 79.53 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -156.85 171.94 19.52 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.194 1.397 . . . . 0.0 112.557 -172.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 56.7 mt -63.07 -41.51 99.45 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.192 0.997 . . . . 0.0 113.227 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.42 -35.08 79.75 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.428 -0.795 . . . . 0.0 112.38 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.2 90.12 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.807 0.843 . . . . 0.0 112.489 171.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.9 -35.7 80.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.494 0.718 . . . . 0.0 112.738 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.81 -51.39 67.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.32 1.048 . . . . 0.0 110.189 169.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 95.2 m -57.44 -37.5 72.92 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.855 1.262 . . . . 0.0 112.964 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -54.58 -44.77 73.28 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.867 0.867 . . . . 0.0 112.304 173.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -87.38 1.39 53.49 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.9 mmt -83.63 -34.6 25.03 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.032 -1.042 . . . . 0.0 109.916 166.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -74.86 -33.46 62.1 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.925 1.29 . . . . 0.0 112.862 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -145.22 168.58 20.05 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.875 1.27 . . . . 0.0 112.607 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -63.64 146.19 54.26 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.178 0.991 . . . . 0.0 112.516 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 tt -84.36 -61.39 1.82 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.712 1.605 . . . . 0.0 110.672 -178.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -141.31 -50.97 0.43 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.733 1.213 . . . . 0.0 111.112 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -111.21 -36.38 5.61 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.834 1.653 . . . . 0.0 111.449 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.8 t -150.58 169.96 20.29 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.692 1.197 . . . . 0.0 112.702 -177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 59.3 p -87.92 164.84 15.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.212 1.405 . . . . 0.0 112.549 176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.5 mt -71.62 136.37 47.34 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.479 0.712 . . . . 0.0 109.359 169.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 67.6 mttt -125.76 -42.5 1.91 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.963 0.905 . . . . 0.0 112.988 -176.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -153.48 145.19 16.68 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 123.608 0.763 . . . . 0.0 113.009 -178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -69.71 152.2 69.5 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.439 2.092 . . . . 0.0 110.735 169.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 57.6 tp -69.34 150.32 47.45 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.814 0.846 . . . . 0.0 111.346 169.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -88.89 145.44 25.55 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.326 1.45 . . . . 0.0 111.437 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.352 1.461 . . . . 0.0 112.212 178.321 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 58.4 p -69.18 -21.96 63.94 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.157 0.983 . . . . 0.0 113.134 171.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 9.3 t -135.82 170.74 15.51 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.001 2.12 . . . . 0.0 110.518 169.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 179.12 -172.11 44.19 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.157 1.361 . . . . 0.0 113.534 -177.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 17.0 m 58.08 28.99 17.16 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 115.335 1.605 . . . . 0.0 115.335 178.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 73.7 m -133.94 152.63 51.92 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.962 1.705 . . . . 0.0 111.915 178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 179.42 -172.7 44.65 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.887 1.232 . . . . 0.0 113.117 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.1 mmt -73.02 146.59 45.81 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.908 0.883 . . . . 0.0 112.194 178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.18 159.49 14.88 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.039 1.336 . . . . 0.0 113.135 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -129.6 9.13 5.46 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.369 1.468 . . . . 0.0 114.134 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.31 167.75 19.87 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.203 1.401 . . . . 0.0 113.661 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 163.06 17.73 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.564 1.146 . . . . 0.0 112.694 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.75 143.02 22.81 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 125.15 1.38 . . . . 0.0 112.727 -175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -60.08 -29.84 90.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.904 3.07 . . . . 0.0 114.797 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 16.4 p-90 -71.65 -12.64 61.44 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.325 1.232 . . . . 0.0 114.325 176.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -83.36 121.64 27.42 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.472 1.487 . . . . 0.0 111.7 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -114.36 0.81 14.23 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.262 1.425 . . . . 0.0 113.693 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.48 -129.59 42.7 Favored Glycine 0 CA--C 1.541 1.672 0 CA-C-O 118.378 -1.234 . . . . 0.0 113.359 174.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -77.14 49.74 2.91 Favored 'Trans proline' 0 CA--C 1.548 1.192 0 C-N-CA 124.475 3.45 . . . . 0.0 113.752 -173.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.0 tp -74.84 148.28 40.37 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.966 1.306 . . . . 0.0 109.817 172.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 p -84.7 163.11 19.4 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.195 -0.941 . . . . 0.0 112.038 170.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -61.3 -41.22 96.62 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.481 -0.762 . . . . 0.0 111.18 170.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.6 m -61.09 -42.25 98.15 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.528 1.131 . . . . 0.0 112.12 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -69.12 -38.6 78.96 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.558 -0.714 . . . . 0.0 112.105 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.56 98.51 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.151 0.58 . . . . 0.0 111.934 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -62.47 -46.91 86.35 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.657 0.783 . . . . 0.0 112.137 174.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -65.64 -31.14 72.0 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.677 -0.639 . . . . 0.0 112.54 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -71.36 -46.72 59.77 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.354 0.662 . . . . 0.0 112.068 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -81.91 -26.82 33.77 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -174.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.83 -24.64 67.87 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.289 0.949 . . . . 0.0 112.381 173.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -88.15 -11.69 46.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.512 1.525 . . . . 0.0 113.864 175.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 91.1 mmm -101.71 160.98 24.93 Favored Pre-proline 0 CA--C 1.545 0.751 0 C-N-CA 125.604 1.562 . . . . 0.0 113.593 -175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -65.71 164.97 24.69 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.597 2.864 . . . . 0.0 112.794 172.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -64.55 139.89 58.81 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.576 1.15 . . . . 0.0 112.671 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.459 ' HA3' ' HE2' ' A' ' 92' ' ' LYS . . . 78.23 14.25 82.43 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.923 1.725 . . . . 0.0 114.979 -173.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.4 m -75.18 130.53 39.33 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.62 1.21 . . . . 0.0 109.405 169.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -134.81 159.31 41.78 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.643 1.349 . . . . 0.0 114.643 -175.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.93 157.96 43.88 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.531 1.533 . . . . 0.0 111.077 175.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.5 t -124.14 138.24 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.182 1.393 . . . . 0.0 109.751 172.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -147.19 164.89 31.71 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.145 1.378 . . . . 0.0 111.968 -170.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.44 139.08 58.27 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.13 1.372 . . . . 0.0 111.916 173.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.0 t -76.72 147.56 37.3 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -176.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.0 p -72.6 148.88 44.46 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.114 0.965 . . . . 0.0 110.646 168.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.4 m 60.29 -19.52 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 118.631 2.826 . . . . 0.0 118.631 174.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.9 m -133.32 102.18 13.07 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 125.183 1.393 . . . . 0.0 111.652 -174.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -58.94 149.54 78.33 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.528 2.819 . . . . 0.0 113.311 175.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.54 -15.76 17.41 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.855 1.216 . . . . 0.0 115.42 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -85.15 160.54 19.91 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.831 1.315 . . . . 0.0 111.367 169.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -124.4 169.67 11.6 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.05 1.34 . . . . 0.0 111.744 174.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.2 t -134.48 128.4 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 125.534 1.534 . . . . 0.0 109.445 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HB2' HD11 ' A' ' 57' ' ' LEU . 45.2 tp -91.47 129.49 37.44 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 125.935 1.694 . . . . 0.0 107.497 169.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -120.07 138.85 53.3 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 118.693 -0.67 . . . . 0.0 109.761 172.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.9 p -143.2 146.41 33.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.5 p -80.6 102.97 10.13 Favored 'General case' 0 C--N 1.338 0.086 0 C-N-CA 124.906 1.282 . . . . 0.0 109.544 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -141.01 149.01 41.19 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.5 t30 51.9 38.88 24.69 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.253 1.821 . . . . 0.0 113.377 178.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.26 9.67 72.89 Favored Glycine 0 CA--C 1.54 1.603 0 C-N-CA 124.575 1.083 . . . . 0.0 115.602 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -133.53 -173.1 3.13 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.907 2.083 . . . . 0.0 111.203 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 40.7 t -114.06 138.96 42.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.587 1.155 . . . . 0.0 109.367 169.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.5 p -129.21 156.46 43.92 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.359 1.464 . . . . 0.0 111.158 -173.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -134.8 144.88 47.89 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.914 1.286 . . . . 0.0 111.975 -175.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -142.57 133.62 25.85 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.895 1.678 . . . . 0.0 110.778 -175.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -75.19 129.89 38.25 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.246 -0.909 . . . . 0.0 112.145 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 44' ' ' LEU . 19.0 mt -108.89 78.09 1.12 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.549 1.94 . . . . 0.0 106.798 168.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.4 m -77.17 142.34 39.7 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 124.814 1.245 . . . . 0.0 111.877 -173.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.58 128.73 34.59 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.237 0.615 . . . . 0.0 111.359 175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -140.87 110.09 6.22 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.465 1.506 . . . . 0.0 109.796 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 51.89 31.36 8.31 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.047 1.339 . . . . 0.0 114.264 -175.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.21 1.21 90.47 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 125.669 1.604 . . . . 0.0 115.292 -176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -107.82 173.79 6.17 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.871 2.068 . . . . 0.0 111.19 175.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.8 mm -105.83 120.49 56.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.099 1.36 . . . . 0.0 111.323 -170.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -106.91 128.02 53.95 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.919 1.688 . . . . 0.0 110.003 172.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.4 tt -139.33 126.53 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 124.865 1.266 . . . . 0.0 110.405 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.7 t70 54.6 -91.28 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.884 1.674 . . . . 0.0 111.913 -167.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.5 p -123.0 -12.71 7.94 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.467 1.507 . . . . 0.0 113.399 169.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -81.56 136.44 35.58 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.665 1.586 . . . . 0.0 111.204 -174.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.1 tp -106.77 133.91 50.71 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.754 1.222 . . . . 0.0 110.832 171.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -131.89 154.04 49.62 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.61 1.964 . . . . 0.0 111.022 177.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -65.57 -36.09 82.76 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -155.9 171.91 19.27 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.392 1.477 . . . . 0.0 111.795 -173.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 mt -62.21 -42.97 99.79 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.89 0.876 . . . . 0.0 113.0 -178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -63.42 -36.51 83.97 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.608 -0.683 . . . . 0.0 112.252 -178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.75 -39.59 93.89 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.785 0.834 . . . . 0.0 112.635 172.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.61 82.04 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.284 0.634 . . . . 0.0 112.082 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.5 mm -58.37 -49.32 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.014 0.926 . . . . 0.0 110.498 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.5 m -60.98 -41.88 97.29 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.691 1.196 . . . . 0.0 112.189 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -58.84 -44.08 90.86 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.301 -0.875 . . . . 0.0 111.44 174.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -78.12 5.02 10.98 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.655 1.354 . . . . 0.0 114.655 175.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.5 mtt -96.31 -38.54 10.04 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.538 1.135 . . . . 0.0 109.977 166.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.83 -28.8 60.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.476 1.11 . . . . 0.0 113.041 175.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -130.09 160.07 34.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.456 1.903 . . . . 0.0 111.424 -179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.14 144.19 44.97 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.014 -1.054 . . . . 0.0 111.709 175.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.5 tt -83.24 -62.64 1.54 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.519 1.128 . . . . 0.0 110.481 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -143.37 -65.83 0.38 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.128 1.371 . . . . 0.0 110.644 176.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -91.57 -33.81 14.99 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.393 1.077 . . . . 0.0 112.745 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.2 t -159.16 -174.24 4.62 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.524 1.929 . . . . 0.0 110.045 174.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.0 p -85.64 164.84 17.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.637 1.575 . . . . 0.0 112.497 169.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 71.1 mt -69.02 131.56 45.24 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.109 1.364 . . . . 0.0 109.41 169.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.459 ' HE2' ' HA3' ' A' ' 28' ' ' GLY . 36.0 mtmm -121.66 -34.06 3.48 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 114.495 1.294 . . . . 0.0 114.495 -171.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -153.38 144.11 15.89 Favored Pre-proline 0 CA--C 1.546 0.795 0 CA-C-N 119.484 1.038 . . . . 0.0 113.015 170.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -73.46 148.57 43.07 Favored 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 122.306 2.004 . . . . 0.0 111.376 172.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.2 tp -64.94 144.66 57.14 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 123.33 0.652 . . . . 0.0 110.7 169.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -87.87 147.44 25.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.225 1.01 . . . . 0.0 112.105 178.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 125.149 1.38 . . . . 0.0 112.033 173.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.664 -0.574 . . . . 0.0 111.664 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 35.9 m -61.85 144.23 55.18 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.415 1.086 . . . . 0.0 112.699 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 20.1 m 54.3 32.32 16.04 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.321 1.448 . . . . 0.0 114.499 -178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -72.39 -6.0 64.53 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 124.928 1.251 . . . . 0.0 115.884 -176.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 78.1 p -143.73 168.29 20.26 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.632 1.573 . . . . 0.0 112.189 177.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.0 m -79.99 16.07 1.3 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.213 1.405 . . . . 0.0 114.308 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 78.04 21.36 71.06 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.151 -0.968 . . . . 0.0 114.625 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -64.74 141.0 58.92 Favored 'General case' 0 CA--C 1.543 0.712 0 C-N-CA 124.835 1.254 . . . . 0.0 111.91 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.6 153.44 44.79 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.303 1.441 . . . . 0.0 111.647 174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -85.04 39.19 0.75 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.359 1.464 . . . . 0.0 112.796 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.72 170.08 17.23 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.547 1.539 . . . . 0.0 113.603 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.91 172.62 4.25 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.663 1.185 . . . . 0.0 112.634 171.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.97 148.02 8.17 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.591 1.157 . . . . 0.0 113.407 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -65.85 -21.22 57.94 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.92 2.413 . . . . 0.0 113.353 -175.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -96.03 -5.18 41.64 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.364 1.866 . . . . 0.0 114.609 177.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -90.79 131.35 36.51 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.324 1.42 . . . . 0.0 112.487 -175.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -118.54 -1.41 11.19 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.639 1.576 . . . . 0.0 114.32 -177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.01 -146.18 47.67 Favored Glycine 0 CA--C 1.54 1.615 0 O-C-N 121.068 -1.02 . . . . 0.0 113.234 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -68.69 52.21 0.67 Allowed 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 125.29 3.993 . . . . 0.0 116.072 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.5 tp -70.98 149.6 46.49 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.962 -1.086 . . . . 0.0 110.173 172.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.7 m -89.89 156.14 18.66 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.691 0.796 . . . . 0.0 111.439 171.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -52.65 -48.51 66.38 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.714 -0.616 . . . . 0.0 112.411 174.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.6 m -56.34 -37.75 70.42 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.591 0.757 . . . . 0.0 112.528 -179.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.5 -38.33 65.39 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.087 0.955 . . . . 0.0 112.622 175.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.21 96.76 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.385 0.674 . . . . 0.0 111.817 172.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.92 -46.99 76.23 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.54 1.136 . . . . 0.0 111.986 178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -69.67 -12.71 61.85 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -85.52 -54.72 4.39 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.138 0.881 . . . . 0.0 111.369 169.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.94 -26.14 61.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -174.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.26 -24.82 67.42 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.459 1.027 . . . . 0.0 112.598 176.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -90.77 -13.45 33.93 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.222 1.409 . . . . 0.0 113.747 173.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 94.5 mmm -92.39 159.73 36.38 Favored Pre-proline 0 CA--C 1.544 0.743 0 C-N-CA 125.241 1.416 . . . . 0.0 112.535 178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.47 161.55 45.62 Favored 'Trans proline' 0 CA--C 1.536 0.596 0 C-N-CA 122.988 2.459 . . . . 0.0 111.887 173.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -56.63 138.27 52.67 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.565 1.146 . . . . 0.0 112.555 177.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.84 3.89 79.67 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 124.67 1.129 . . . . 0.0 114.981 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 34.5 m -74.8 129.52 37.83 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 118.42 1.11 . . . . 0.0 108.83 168.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -136.55 161.17 36.63 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -175.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.64 155.69 42.64 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.996 1.318 . . . . 0.0 111.109 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.0 t -121.01 138.56 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.624 1.17 . . . . 0.0 109.933 170.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -142.63 157.44 44.68 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 125.433 1.493 . . . . 0.0 111.423 -172.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -67.43 135.99 53.99 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.048 0.939 . . . . 0.0 110.632 172.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.4 t -73.45 131.06 41.38 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 -169.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 p -85.59 -8.19 58.41 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.633 1.573 . . . . 0.0 112.721 169.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 47.4 m -99.35 -31.93 11.43 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.804 1.241 . . . . 0.0 113.549 -176.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.5 m -146.68 138.83 13.71 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 124.515 1.126 . . . . 0.0 112.19 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.61 138.33 34.89 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 122.964 2.443 . . . . 0.0 112.427 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.6 2.71 64.75 Favored Glycine 0 CA--C 1.539 1.577 0 N-CA-C 115.889 1.116 . . . . 0.0 115.889 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -103.54 168.31 9.24 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.402 1.481 . . . . 0.0 111.925 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -120.68 169.71 10.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.271 1.429 . . . . 0.0 111.556 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.7 t -135.74 129.55 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.84 1.256 . . . . 0.0 109.884 176.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -90.53 122.62 33.52 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 125.977 1.711 . . . . 0.0 107.844 169.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.4 m -115.39 135.16 54.42 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.614 0.766 . . . . 0.0 110.114 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 70.9 m -136.59 143.07 43.39 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.316 1.046 . . . . 0.0 112.079 -172.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.1 p -80.65 114.43 19.54 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 168.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -142.91 140.83 31.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.305 1.042 . . . . 0.0 111.851 -176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 56.74 31.13 18.85 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 125.147 1.379 . . . . 0.0 113.994 170.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.01 10.63 81.12 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 124.385 0.993 . . . . 0.0 114.879 -176.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.0 pttt -133.71 -169.49 2.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 127.907 2.483 . . . . 0.0 110.441 179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.0 t -123.16 134.48 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.257 1.023 . . . . 0.0 110.325 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.4 p -116.57 157.03 25.94 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.65 1.98 . . . . 0.0 111.218 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -138.96 137.27 36.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.996 1.318 . . . . 0.0 111.231 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -139.09 130.67 27.27 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.254 1.422 . . . . 0.0 111.38 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -77.05 126.31 30.76 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.408 -0.807 . . . . 0.0 111.811 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.3 mt -100.27 90.66 4.42 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.245 1.818 . . . . 0.0 107.216 169.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 m -87.93 144.99 26.25 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 125.362 1.465 . . . . 0.0 112.048 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -93.26 120.53 33.65 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 121.423 -0.798 . . . . 0.0 111.479 173.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -137.16 135.39 37.3 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.965 1.306 . . . . 0.0 110.53 170.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 50.59 30.05 4.54 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.549 1.54 . . . . 0.0 114.832 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.03 9.54 86.71 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.314 1.435 . . . . 0.0 115.202 -177.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -122.06 163.88 18.66 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.668 1.987 . . . . 0.0 111.944 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.9 mm -91.69 118.1 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.012 1.325 . . . . 0.0 110.854 -174.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -101.69 147.47 26.41 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.952 1.701 . . . . 0.0 110.748 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -148.86 117.43 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 124.148 0.979 . . . . 0.0 109.191 168.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.0 t0 52.43 -101.29 0.11 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.784 1.633 . . . . 0.0 112.801 -168.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 58.4 p -111.48 -0.19 16.3 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.792 1.637 . . . . 0.0 113.635 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -91.73 149.9 21.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.633 1.573 . . . . 0.0 110.809 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.4 tp -134.09 135.41 43.22 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.368 1.467 . . . . 0.0 110.901 176.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -139.03 155.87 47.63 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 126.828 2.051 . . . . 0.0 111.25 -175.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -66.27 -36.01 81.88 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -156.29 172.22 18.85 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.441 1.496 . . . . 0.0 111.779 -173.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.95 -42.1 98.73 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.64 0.776 . . . . 0.0 112.895 -178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -63.88 -35.58 81.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.613 -0.68 . . . . 0.0 112.234 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.21 90.03 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.664 0.785 . . . . 0.0 112.661 172.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.85 -40.71 88.01 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.232 0.613 . . . . 0.0 112.385 175.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.7 mm -60.63 -50.26 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.06 0.944 . . . . 0.0 110.447 171.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.9 m -58.82 -38.65 79.12 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.816 1.246 . . . . 0.0 112.367 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -58.82 -45.07 90.81 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.197 -0.94 . . . . 0.0 111.986 173.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -79.14 -3.72 46.92 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.2 mmt -80.15 -37.62 33.06 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 120.865 -1.147 . . . . 0.0 109.698 166.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -83.37 -29.65 28.04 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.853 1.261 . . . . 0.0 113.416 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -126.81 152.14 47.36 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.616 1.566 . . . . 0.0 111.94 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -68.88 139.56 55.16 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.05 -1.031 . . . . 0.0 111.64 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -79.37 -63.08 1.5 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.417 1.087 . . . . 0.0 110.695 -176.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -144.06 -50.82 0.3 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.575 1.15 . . . . 0.0 111.515 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -110.28 -32.1 7.08 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.282 1.433 . . . . 0.0 111.674 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.0 t -153.03 169.7 22.27 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.942 1.297 . . . . 0.0 112.5 176.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 56.0 p -82.89 160.62 22.1 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.88 1.272 . . . . 0.0 111.662 169.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.9 mt -62.85 142.52 58.21 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.177 0.991 . . . . 0.0 110.901 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -122.33 -45.06 2.23 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.466 1.107 . . . . 0.0 112.814 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -155.51 146.97 16.83 Favored Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.4 145.26 37.85 Favored 'Trans proline' 0 CA--C 1.541 0.834 0 C-N-CA 122.887 2.392 . . . . 0.0 111.597 171.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.0 tp -68.99 140.39 55.02 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.429 -0.795 . . . . 0.0 109.727 168.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -72.06 140.07 48.79 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.43 -0.794 . . . . 0.0 112.983 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.224 0 C-N-CA 126.5 1.92 . . . . 0.0 111.382 170.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 111.895 -0.482 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 8.7 t -147.84 157.29 43.46 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.208 1.403 . . . . 0.0 111.657 177.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 58.9 m -140.33 152.93 46.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.616 1.567 . . . . 0.0 112.557 -172.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 75.19 14.02 82.24 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 115.77 1.068 . . . . 0.0 115.77 173.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 15.4 m -60.03 -24.53 64.58 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 65.1 p -92.79 -2.76 55.68 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.946 1.698 . . . . 0.0 114.455 177.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -57.73 120.98 24.1 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.481 1.039 . . . . 0.0 113.201 -174.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . 0.272 28.1 ptm 47.28 24.8 0.48 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.494 2.318 . . . . 0.0 116.124 -175.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.48 148.01 41.4 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.018 0.927 . . . . 0.0 112.878 -177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 53.74 34.92 20.08 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.89 1.676 . . . . 0.0 114.609 175.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.57 142.04 51.78 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.041 -1.037 . . . . 0.0 113.029 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.42 163.22 40.32 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.108 1.763 . . . . 0.0 111.049 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.02 143.28 24.3 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 124.27 1.028 . . . . 0.0 111.959 176.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -63.29 -27.84 72.1 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 123.365 2.71 . . . . 0.0 114.428 -168.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -80.52 -8.32 59.53 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.425 1.49 . . . . 0.0 114.386 177.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -85.14 132.47 34.3 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 120.151 1.342 . . . . 0.0 112.314 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -122.05 0.84 9.73 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.622 1.569 . . . . 0.0 113.851 178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 63.66 -136.17 41.59 Favored Glycine 0 CA--C 1.538 1.529 0 CA-C-O 118.591 -1.116 . . . . 0.0 113.242 178.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.57 57.57 6.03 Favored 'Trans proline' 0 CA--C 1.546 1.108 0 C-N-CA 124.312 3.341 . . . . 0.0 113.061 -176.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -75.64 148.15 38.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.276 1.031 . . . . 0.0 109.873 171.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.8 m -90.54 156.51 18.11 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.748 0.819 . . . . 0.0 111.335 171.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -52.54 -50.12 63.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.205 0.602 . . . . 0.0 112.587 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.0 m -57.67 -36.21 71.6 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -71.16 -42.62 68.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.049 0.94 . . . . 0.0 112.326 174.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.97 98.03 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.551 0.74 . . . . 0.0 111.889 174.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -67.99 -43.83 78.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.846 1.258 . . . . 0.0 112.234 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -65.57 -35.11 79.87 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.327 0.967 . . . . 0.0 112.116 175.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -67.35 -51.44 52.25 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.07 0.548 . . . . 0.0 111.792 176.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -75.57 -22.76 56.7 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -176.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.89 -28.41 62.47 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.383 0.992 . . . . 0.0 112.368 171.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -78.84 -33.03 46.31 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.285 1.034 . . . . 0.0 112.526 172.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.8 mmm -76.82 161.29 74.38 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.215 1.406 . . . . 0.0 113.152 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -72.02 163.72 37.9 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 123.296 2.664 . . . . 0.0 112.594 173.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -54.89 132.32 46.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.303 1.441 . . . . 0.0 112.122 174.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.76 2.11 63.17 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.134 1.35 . . . . 0.0 115.007 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.1 m -74.89 133.59 41.79 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.717 0.807 . . . . 0.0 109.55 169.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -136.47 161.32 36.18 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -177.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.48 157.75 43.8 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.873 1.269 . . . . 0.0 111.497 175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.38 137.98 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.857 1.263 . . . . 0.0 110.069 169.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -142.83 160.51 40.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.56 1.544 . . . . 0.0 111.534 -173.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.87 137.17 58.19 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.32 1.048 . . . . 0.0 111.087 170.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 t -76.02 136.77 39.96 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -169.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 m -57.57 117.5 4.24 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 125.477 1.511 . . . . 0.0 111.547 -174.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.6 m 53.55 20.62 2.17 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.679 1.592 . . . . 0.0 115.131 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.9 m -133.77 71.1 75.02 Favored Pre-proline 0 N--CA 1.473 0.716 0 C-N-CA 125.537 1.535 . . . . 0.0 110.88 -171.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -60.95 141.39 94.41 Favored 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 123.161 2.574 . . . . 0.0 112.441 -174.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.34 -14.53 49.97 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.985 1.279 . . . . 0.0 114.96 -175.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -98.15 159.87 14.66 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.95 1.375 . . . . 0.0 111.29 169.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -124.36 170.04 11.22 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.87 1.268 . . . . 0.0 111.668 177.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.6 t -136.15 129.84 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.044 1.338 . . . . 0.0 109.617 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.7 tp -91.76 123.32 35.07 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.805 1.642 . . . . 0.0 107.86 169.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -115.05 137.46 51.99 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.442 0.697 . . . . 0.0 110.086 175.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.8 m -139.12 138.95 37.48 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.426 1.09 . . . . 0.0 112.207 -173.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 p -80.46 100.5 8.55 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 122.059 0.933 . . . . 0.0 110.214 173.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -139.31 153.49 47.75 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 56.59 29.94 16.47 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.295 1.438 . . . . 0.0 113.931 172.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.24 12.72 79.78 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.359 0.98 . . . . 0.0 114.816 -177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -136.8 -166.77 1.96 Allowed 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 127.683 2.393 . . . . 0.0 110.289 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -118.91 138.47 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.299 1.039 . . . . 0.0 109.325 169.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 67.6 p -122.26 154.62 37.3 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.913 1.685 . . . . 0.0 110.854 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -137.45 139.49 40.67 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.85 1.26 . . . . 0.0 111.511 -175.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -139.66 127.86 22.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.432 1.493 . . . . 0.0 110.844 -174.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -67.39 132.47 47.74 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.437 -0.789 . . . . 0.0 112.34 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.76 76.88 1.0 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.722 2.009 . . . . 0.0 106.315 167.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 61.8 m -77.56 141.95 39.27 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.577 1.151 . . . . 0.0 111.7 -173.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.15 129.54 34.62 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.143 0.577 . . . . 0.0 111.357 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -140.76 108.69 5.7 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.807 1.643 . . . . 0.0 109.658 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 53.23 30.52 10.09 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.905 1.282 . . . . 0.0 113.889 -175.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.58 0.15 89.76 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.879 1.704 . . . . 0.0 115.32 -176.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -104.16 173.32 6.35 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 126.851 2.06 . . . . 0.0 111.206 174.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.1 mm -105.79 120.33 56.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.078 1.351 . . . . 0.0 111.424 -170.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -106.67 126.52 52.38 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.987 1.715 . . . . 0.0 110.054 172.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 tt -139.65 128.38 27.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.934 1.294 . . . . 0.0 111.021 177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 56.14 -84.25 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.253 1.821 . . . . 0.0 112.247 -168.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -134.25 -11.78 2.49 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.776 2.031 . . . . 0.0 112.907 171.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -81.98 138.28 34.96 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.99 1.716 . . . . 0.0 111.215 -176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.5 tp -107.89 133.49 52.16 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.906 1.282 . . . . 0.0 110.747 171.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -131.99 154.04 49.74 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.458 1.903 . . . . 0.0 111.192 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.37 -35.73 81.84 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -155.89 171.69 19.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.3 1.44 . . . . 0.0 111.802 -173.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.2 -42.95 99.76 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.05 0.94 . . . . 0.0 112.93 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -63.53 -35.99 82.29 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.536 -0.728 . . . . 0.0 112.344 -178.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.96 -39.19 93.12 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.696 0.798 . . . . 0.0 112.643 172.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.59 -44.18 82.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.24 0.616 . . . . 0.0 112.287 176.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 36.8 mm -58.75 -49.63 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.156 0.982 . . . . 0.0 110.43 173.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 87.2 m -60.18 -42.23 94.57 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.518 1.127 . . . . 0.0 112.175 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -59.22 -43.86 92.32 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.256 -0.903 . . . . 0.0 111.608 174.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -78.17 3.44 15.18 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 176.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.7 mtt -94.95 -37.32 11.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.412 1.085 . . . . 0.0 110.139 166.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -76.41 -28.88 56.84 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.64 1.176 . . . . 0.0 113.024 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -131.07 159.28 38.03 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.344 1.858 . . . . 0.0 111.591 -178.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.55 143.43 46.48 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.039 -1.038 . . . . 0.0 111.757 175.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.7 tt -83.67 -62.22 1.63 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.752 1.221 . . . . 0.0 110.682 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.56 -70.54 0.36 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.223 1.409 . . . . 0.0 110.284 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -89.87 -32.13 17.02 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.224 1.01 . . . . 0.0 113.003 178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.1 t -157.5 -177.7 6.79 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.417 1.487 . . . . 0.0 111.553 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 57.8 p -90.56 160.68 15.82 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.833 1.653 . . . . 0.0 112.307 169.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.2 mt -65.92 136.66 56.41 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.006 1.322 . . . . 0.0 111.012 175.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -112.01 -49.72 2.96 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -152.34 146.04 18.04 Favored Pre-proline 0 CA--C 1.544 0.741 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 -173.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -72.88 142.45 35.15 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.73 2.287 . . . . 0.0 111.335 173.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.84 139.74 57.12 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.57 -0.706 . . . . 0.0 110.172 169.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -84.19 150.43 25.49 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.874 0.87 . . . . 0.0 111.8 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.81 1.644 . . . . 0.0 112.964 -175.089 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 34.9 m -67.92 151.84 46.49 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.551 1.141 . . . . 0.0 113.166 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 16.6 m -78.89 -12.61 60.04 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -67.95 149.29 50.17 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.419 1.009 . . . . 0.0 113.954 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 12.0 t -152.05 159.21 43.75 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.284 1.434 . . . . 0.0 111.763 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.2 t 58.2 -173.31 0.09 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.374 1.87 . . . . 0.0 114.404 -176.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 140.25 -12.83 3.04 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.787 1.661 . . . . 0.0 115.307 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mmt -97.63 137.44 36.55 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.745 1.218 . . . . 0.0 112.284 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.45 65.85 8.07 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.085 1.354 . . . . 0.0 111.341 177.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.53 -13.15 60.64 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.932 1.456 . . . . 0.0 114.932 -170.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -150.33 146.38 26.71 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.328 1.451 . . . . 0.0 112.458 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.13 167.1 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 127.813 2.445 . . . . 0.0 116.522 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -90.14 150.87 44.12 Favored Pre-proline 0 CA--C 1.547 0.849 0 C-N-CA 125.033 1.333 . . . . 0.0 110.961 171.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.42 -26.68 34.49 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 123.053 2.502 . . . . 0.0 114.044 -171.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -80.5 -3.96 52.03 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.505 1.522 . . . . 0.0 114.541 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -84.23 135.81 34.2 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.906 1.23 . . . . 0.0 112.435 179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -124.21 7.33 8.48 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.512 1.525 . . . . 0.0 114.424 -178.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.97 -149.21 50.08 Favored Glycine 0 CA--C 1.538 1.53 0 O-C-N 120.924 -1.11 . . . . 0.0 113.115 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -77.4 57.7 6.01 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.353 3.368 . . . . 0.0 112.816 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.4 tp -72.94 138.08 45.92 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.684 1.193 . . . . 0.0 110.794 176.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 66.1 m -80.95 158.03 25.36 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.75 0.82 . . . . 0.0 112.048 175.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -51.09 -53.17 36.52 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.684 0.794 . . . . 0.0 112.41 176.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -59.01 -35.9 74.02 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -70.71 -43.01 69.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.123 0.969 . . . . 0.0 112.322 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.02 97.57 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.45 0.7 . . . . 0.0 111.724 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -67.91 -42.91 80.38 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.655 1.182 . . . . 0.0 112.399 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -66.0 -35.42 80.54 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.534 1.061 . . . . 0.0 112.104 175.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.9 m -66.23 -49.55 66.85 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.922 0.489 . . . . 0.0 111.693 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -77.51 -23.13 50.29 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -71.48 -29.22 64.57 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.327 0.967 . . . . 0.0 112.206 170.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -77.86 -32.96 52.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.213 1.005 . . . . 0.0 112.447 173.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 88.6 mmm -77.88 161.68 70.4 Favored Pre-proline 0 CA--C 1.546 0.819 0 C-N-CA 125.215 1.406 . . . . 0.0 113.371 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.48 168.04 25.41 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 C-N-CA 123.293 2.662 . . . . 0.0 112.734 172.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -60.37 139.64 57.56 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.18 1.392 . . . . 0.0 112.781 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.82 4.08 87.54 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 126.282 1.896 . . . . 0.0 115.63 -176.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -73.78 132.6 42.78 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.301 1.051 . . . . 0.0 109.708 169.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -136.31 161.46 35.71 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.18 157.43 43.6 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 125.292 1.437 . . . . 0.0 110.922 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.7 t -119.69 136.45 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.424 1.089 . . . . 0.0 109.944 170.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -136.48 152.55 50.68 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.171 1.388 . . . . 0.0 111.803 -176.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.75 133.66 52.52 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 168.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.9 t -66.19 131.8 46.98 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 -167.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -73.69 -9.31 58.53 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.777 1.631 . . . . 0.0 113.387 170.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.8 m -84.86 -42.06 15.44 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.915 0.78 . . . . 0.0 112.302 172.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.8 t -161.67 131.69 3.42 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 124.637 1.175 . . . . 0.0 111.24 172.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -66.51 149.15 84.49 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.841 2.361 . . . . 0.0 112.556 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.57 -21.12 44.81 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.122 1.344 . . . . 0.0 113.97 -175.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -94.67 159.46 15.06 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.991 1.317 . . . . 0.0 108.929 166.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -120.97 166.08 14.34 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.269 -0.894 . . . . 0.0 112.436 -176.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.44 130.07 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.065 1.346 . . . . 0.0 109.558 176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.7 tp -91.67 120.14 32.17 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 125.817 1.647 . . . . 0.0 108.084 170.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -112.21 133.88 54.08 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.797 0.839 . . . . 0.0 109.721 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 79.3 m -136.02 139.54 43.19 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.646 1.178 . . . . 0.0 112.168 -172.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 p -81.87 101.19 10.05 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 169.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -142.92 152.67 42.3 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -177.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.2 t30 49.18 40.41 17.7 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.476 1.91 . . . . 0.0 113.273 -174.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 67.98 9.09 55.97 Favored Glycine 0 CA--C 1.542 1.738 0 N-CA-C 115.863 1.105 . . . . 0.0 115.863 -177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -129.66 -169.51 2.13 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 127.19 2.196 . . . . 0.0 110.756 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 39.3 t -117.8 134.97 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.106 0.962 . . . . 0.0 110.05 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.7 p -124.6 158.43 33.05 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.771 1.628 . . . . 0.0 111.375 -176.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -135.4 139.08 43.9 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.976 1.31 . . . . 0.0 111.279 -176.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -137.41 128.14 27.05 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.583 1.553 . . . . 0.0 110.706 -175.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -73.67 131.96 42.21 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.4 -0.813 . . . . 0.0 112.011 -177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.8 mt -107.65 79.81 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.051 2.141 . . . . 0.0 106.799 169.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.8 m -77.85 140.22 39.34 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.857 1.263 . . . . 0.0 111.68 -173.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.55 129.1 34.16 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.263 0.625 . . . . 0.0 111.285 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -139.54 106.84 5.51 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.591 1.557 . . . . 0.0 109.697 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 51.82 31.8 8.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.015 1.326 . . . . 0.0 114.249 -174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.08 -1.34 88.9 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 125.681 1.61 . . . . 0.0 115.228 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -102.68 174.45 5.88 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 126.549 1.94 . . . . 0.0 111.029 173.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.9 mm -108.96 119.92 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.017 1.327 . . . . 0.0 111.39 -170.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -106.06 127.38 53.14 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.947 1.699 . . . . 0.0 110.089 172.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.2 tt -139.43 127.92 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.787 1.235 . . . . 0.0 110.628 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.5 t70 55.79 -83.89 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.339 1.856 . . . . 0.0 112.371 -168.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.8 p -134.21 -12.35 2.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.747 2.019 . . . . 0.0 112.888 171.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -80.89 136.62 36.09 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.927 1.691 . . . . 0.0 110.894 -176.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.6 tp -105.82 133.17 50.98 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.513 1.125 . . . . 0.0 110.751 170.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -130.13 154.05 47.9 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 126.641 1.976 . . . . 0.0 110.852 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -65.39 -35.82 82.11 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -156.32 172.21 18.88 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.511 1.525 . . . . 0.0 111.722 -174.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.87 -42.39 99.0 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.809 0.843 . . . . 0.0 113.027 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.52 -35.53 81.25 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.602 -0.686 . . . . 0.0 112.357 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.99 92.83 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.675 0.79 . . . . 0.0 112.59 172.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.89 -44.82 79.88 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.32 0.648 . . . . 0.0 112.087 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.4 mm -58.44 -49.41 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.953 0.901 . . . . 0.0 110.459 173.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.5 m -59.81 -41.02 90.35 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.728 1.211 . . . . 0.0 112.22 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -60.11 -44.76 94.61 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.197 -0.94 . . . . 0.0 111.626 174.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -78.52 -2.6 39.49 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.4 mmt -83.29 -39.56 20.67 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.071 -1.018 . . . . 0.0 109.782 166.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -81.71 -29.01 33.16 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.735 1.214 . . . . 0.0 113.502 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -128.46 156.88 42.52 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.937 1.695 . . . . 0.0 111.628 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.52 140.25 49.84 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.0 -1.062 . . . . 0.0 111.638 176.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 tt -81.52 -60.67 2.18 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.779 1.232 . . . . 0.0 110.436 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -145.41 -64.44 0.33 Allowed 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.091 1.356 . . . . 0.0 110.455 174.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -92.75 -33.88 14.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.324 1.05 . . . . 0.0 113.054 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.5 t -157.8 -175.14 5.2 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.773 1.629 . . . . 0.0 110.762 173.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.1 p -87.97 161.84 17.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.818 1.647 . . . . 0.0 112.276 169.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.4 mt -63.99 144.62 56.94 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.073 1.349 . . . . 0.0 110.878 171.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -125.66 -42.37 1.94 Allowed 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -157.57 147.71 15.68 Favored Pre-proline 0 CA--C 1.545 0.768 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -71.8 147.1 49.58 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 122.847 2.365 . . . . 0.0 111.663 171.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.58 144.49 56.4 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.631 0.772 . . . . 0.0 110.564 169.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -82.63 149.94 27.11 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.072 0.949 . . . . 0.0 112.108 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 23.9 ptt180 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 125.921 1.688 . . . . 0.0 113.022 -179.221 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 46.3 m -140.34 154.48 46.77 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.161 1.384 . . . . 0.0 112.149 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 39.8 m -63.28 138.64 58.6 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.069 0.948 . . . . 0.0 112.333 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 79.69 -4.16 66.08 Favored Glycine 0 CA--C 1.539 1.577 0 C-N-CA 124.682 1.134 . . . . 0.0 115.771 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 49.6 m -80.82 47.48 0.98 Allowed 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.23 1.515 . . . . 0.0 112.711 177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 16.4 m -75.23 -2.61 28.79 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.898 1.679 . . . . 0.0 115.419 -169.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -73.64 69.67 1.45 Allowed Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.481 1.515 . . . . 0.0 113.023 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.3 mtp -127.86 156.86 41.9 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.324 1.849 . . . . 0.0 112.053 -174.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.45 50.46 1.11 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.6 1.56 . . . . 0.0 113.524 -176.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -86.43 5.63 34.16 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.565 1.546 . . . . 0.0 114.085 -174.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.68 146.51 54.63 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.525 1.13 . . . . 0.0 113.421 -178.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.71 175.87 10.84 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.16 1.784 . . . . 0.0 111.46 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.17 145.5 80.7 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 123.51 0.724 . . . . 0.0 111.59 171.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -66.33 -20.39 55.27 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 123.161 2.574 . . . . 0.0 113.698 -171.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.2 p-90 -86.08 -9.24 57.06 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 174.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -89.62 130.89 35.85 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 120.698 1.59 . . . . 0.0 112.482 -177.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -122.62 8.97 9.52 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.525 1.53 . . . . 0.0 114.27 -176.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.85 -145.71 45.52 Favored Glycine 0 CA--C 1.537 1.435 0 O-C-N 120.817 -1.177 . . . . 0.0 113.494 177.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.7 53.4 4.35 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.502 3.468 . . . . 0.0 113.084 -177.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.0 tp -71.72 142.4 49.79 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.808 1.243 . . . . 0.0 110.422 173.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.6 m -91.76 161.64 14.79 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.211 1.005 . . . . 0.0 112.197 175.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.9 mtp180 -49.62 -54.06 20.52 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.818 0.847 . . . . 0.0 112.591 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.8 m -57.95 -36.84 73.11 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -72.18 -40.31 68.0 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.179 0.992 . . . . 0.0 112.538 175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.76 94.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.628 0.771 . . . . 0.0 111.868 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.6 -45.95 77.49 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.684 1.193 . . . . 0.0 111.995 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -70.66 -12.82 61.8 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.3 m -84.69 -53.78 5.14 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.239 0.927 . . . . 0.0 111.369 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mp -73.91 -26.34 60.48 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -174.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -65.38 -25.2 67.47 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.673 1.124 . . . . 0.0 112.521 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -90.4 -12.48 37.41 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.19 1.396 . . . . 0.0 113.729 173.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 95.2 mmm -93.1 160.03 34.36 Favored Pre-proline 0 CA--C 1.544 0.73 0 C-N-CA 125.332 1.453 . . . . 0.0 112.274 177.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -71.19 162.18 43.39 Favored 'Trans proline' 0 CA--C 1.536 0.597 0 C-N-CA 122.874 2.383 . . . . 0.0 111.895 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -56.59 138.82 51.59 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.548 1.139 . . . . 0.0 112.614 176.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.11 2.52 80.5 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.457 1.027 . . . . 0.0 114.775 -176.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 32.2 m -74.85 130.82 40.11 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.605 1.203 . . . . 0.0 109.192 168.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -137.18 161.93 34.83 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -175.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.47 157.88 43.76 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.04 1.336 . . . . 0.0 110.924 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -121.88 137.54 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 C-N-CA 125.12 1.368 . . . . 0.0 109.594 171.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -137.27 154.95 50.01 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.178 1.391 . . . . 0.0 111.676 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -65.2 135.04 54.95 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.076 0.55 . . . . 0.0 109.846 169.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.3 t -66.85 132.8 48.77 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -169.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.6 p -86.85 -2.34 58.5 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.876 1.67 . . . . 0.0 113.08 169.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.8 m -120.46 -31.7 4.26 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.854 1.261 . . . . 0.0 114.187 -171.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.2 m -139.47 114.25 8.1 Favored Pre-proline 0 N--CA 1.474 0.769 0 C-N-CA 124.259 1.024 . . . . 0.0 111.758 -174.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -55.9 135.11 68.02 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.963 2.442 . . . . 0.0 113.74 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 -4.58 62.07 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.893 1.235 . . . . 0.0 115.929 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -95.89 162.3 13.64 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.26 1.53 . . . . 0.0 112.372 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -110.76 170.0 8.39 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.803 1.241 . . . . 0.0 110.072 169.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.0 t -136.61 128.82 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 124.417 1.087 . . . . 0.0 110.017 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.4 tp -90.28 122.89 33.59 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 126.166 1.786 . . . . 0.0 108.228 170.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.1 m -116.4 133.32 56.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 124.01 0.924 . . . . 0.0 109.934 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.1 m -135.93 143.58 45.0 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.49 1.116 . . . . 0.0 112.664 -171.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.1 p -80.96 113.87 19.46 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 169.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -142.83 136.58 28.9 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.212 1.005 . . . . 0.0 112.466 -175.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 41.2 t30 52.53 38.4 25.58 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.958 1.703 . . . . 0.0 113.992 170.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.44 7.9 74.33 Favored Glycine 0 CA--C 1.539 1.55 0 N-CA-C 115.444 0.938 . . . . 0.0 115.444 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -129.43 -172.09 2.66 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.253 2.221 . . . . 0.0 110.971 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.2 t -120.6 133.76 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.444 1.098 . . . . 0.0 109.903 173.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 39.1 p -115.02 156.91 24.24 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.516 1.926 . . . . 0.0 111.23 -177.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -139.17 137.32 35.95 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.879 1.271 . . . . 0.0 111.344 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -140.82 128.76 21.9 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.674 1.59 . . . . 0.0 110.659 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -73.62 133.64 43.52 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.814 1.188 . . . . 0.0 112.238 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.8 mt -99.42 78.97 2.24 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.454 2.301 . . . . 0.0 105.035 167.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.1 m -76.49 138.71 40.44 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 125.44 1.496 . . . . 0.0 111.984 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.12 125.19 29.5 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.102 0.561 . . . . 0.0 111.059 174.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -138.93 104.32 5.03 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.208 1.403 . . . . 0.0 109.75 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 50.46 33.4 7.72 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.318 1.447 . . . . 0.0 114.747 -178.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.12 -4.2 86.41 Favored Glycine 0 CA--C 1.541 1.67 0 C-N-CA 125.962 1.744 . . . . 0.0 115.374 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -97.13 168.09 10.66 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.48 1.912 . . . . 0.0 111.638 172.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.0 mm -104.59 118.02 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.788 1.635 . . . . 0.0 110.243 -178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -103.43 129.48 50.56 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.736 1.614 . . . . 0.0 109.965 172.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.6 tt -139.37 125.79 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.262 1.025 . . . . 0.0 111.429 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 56.32 -70.77 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 127.901 2.48 . . . . 0.0 113.878 -169.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 t -143.02 -10.22 0.77 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.372 1.869 . . . . 0.0 113.643 169.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -89.9 137.53 32.26 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.985 1.714 . . . . 0.0 110.718 -171.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.4 tp -111.28 134.62 52.73 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.947 1.299 . . . . 0.0 111.719 179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -135.2 155.45 50.65 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 126.06 1.744 . . . . 0.0 112.177 -177.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.34 -35.82 82.1 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 177.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -156.52 172.26 18.86 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.149 1.379 . . . . 0.0 112.322 -172.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.9 -44.04 97.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.255 1.022 . . . . 0.0 113.171 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -63.57 -35.14 79.51 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.572 -0.705 . . . . 0.0 112.346 -177.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.78 90.3 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.962 0.905 . . . . 0.0 112.587 172.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.82 -40.3 87.99 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.245 0.618 . . . . 0.0 112.324 176.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.2 mm -61.24 -50.66 79.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 124.138 0.975 . . . . 0.0 110.436 171.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.8 m -58.64 -39.97 82.07 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.557 1.143 . . . . 0.0 112.366 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -57.82 -44.01 86.15 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.062 -1.024 . . . . 0.0 112.038 174.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -80.47 2.68 24.21 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 175.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 51.3 mtt -92.09 -36.07 13.55 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.045 -1.034 . . . . 0.0 109.914 166.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -77.53 -29.1 52.18 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.706 1.203 . . . . 0.0 113.178 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -129.93 157.19 42.98 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.014 1.726 . . . . 0.0 111.851 -178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -72.97 145.0 47.04 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.948 -1.095 . . . . 0.0 111.707 174.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -83.0 -63.71 1.31 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.738 1.215 . . . . 0.0 110.987 -177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -143.3 -53.05 0.37 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.468 1.107 . . . . 0.0 111.428 177.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -112.49 -30.81 7.01 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.36 1.464 . . . . 0.0 111.895 177.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -150.87 175.63 11.84 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.816 1.247 . . . . 0.0 112.521 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 72.0 p -88.48 166.04 14.47 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.458 1.503 . . . . 0.0 112.107 170.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.8 mt -71.78 127.49 32.74 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.322 1.049 . . . . 0.0 110.104 171.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -112.3 -42.16 3.76 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.462 1.105 . . . . 0.0 113.243 -177.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -155.45 145.83 15.98 Favored Pre-proline 0 CA--C 1.543 0.675 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -70.23 147.54 60.06 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 122.515 2.143 . . . . 0.0 110.815 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.6 tp -61.73 140.59 58.19 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.377 -0.827 . . . . 0.0 111.315 172.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.79 149.01 44.0 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.645 1.178 . . . . 0.0 112.878 177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.278 0 C-N-CA 125.381 1.472 . . . . 0.0 113.297 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.544 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 60.3 p -84.41 -14.49 49.22 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.112 1.365 . . . . 0.0 114.243 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 12.7 p -65.82 127.98 34.16 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.456 1.102 . . . . 0.0 111.73 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 72.99 -2.24 35.47 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.741 1.162 . . . . 0.0 115.823 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 87.9 p -121.46 -26.73 4.92 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.061 1.431 . . . . 0.0 113.937 -178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 11.9 t -70.42 155.89 40.09 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.382 1.073 . . . . 0.0 112.168 171.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -179.79 -158.85 22.65 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.748 1.166 . . . . 0.0 113.472 -176.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.9 mtm -78.3 32.96 0.19 Allowed 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.602 1.561 . . . . 0.0 114.159 -175.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.3 -15.39 62.47 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.849 -1.157 . . . . 0.0 114.089 -178.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -69.86 -8.75 51.17 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 172.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.88 -1.9 37.3 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 172.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.4 154.38 34.92 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.95 1.3 . . . . 0.0 111.817 171.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.5 143.6 10.13 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.887 1.275 . . . . 0.0 111.911 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -61.37 -30.57 87.58 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.012 2.474 . . . . 0.0 113.967 -168.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -75.36 -11.53 60.07 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 114.443 1.275 . . . . 0.0 114.443 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -84.07 133.47 34.64 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 120.556 1.525 . . . . 0.0 111.845 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -122.9 7.62 9.32 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.442 1.497 . . . . 0.0 114.195 -177.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.32 -147.0 48.43 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 120.893 -1.13 . . . . 0.0 113.185 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.04 54.91 5.09 Favored 'Trans proline' 0 CA--C 1.545 1.029 0 C-N-CA 124.422 3.415 . . . . 0.0 113.05 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 tp -72.43 141.15 48.65 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.682 1.193 . . . . 0.0 110.672 174.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.6 m -87.72 160.73 17.97 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.233 1.013 . . . . 0.0 112.198 175.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -51.06 -54.15 27.42 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.818 0.847 . . . . 0.0 112.711 176.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.4 m -57.52 -37.03 72.36 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.183 0.593 . . . . 0.0 112.556 -175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -69.93 -43.96 70.58 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.072 0.949 . . . . 0.0 112.259 174.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.73 -42.42 99.65 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.495 0.718 . . . . 0.0 112.216 175.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -66.49 -45.42 79.68 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.591 1.157 . . . . 0.0 111.903 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -66.38 -34.25 77.54 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.033 0.833 . . . . 0.0 112.322 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.5 m -67.03 -44.36 80.42 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.032 0.533 . . . . 0.0 112.38 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.7 mp -84.02 -26.71 28.91 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -177.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -65.02 -25.48 67.87 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.819 1.19 . . . . 0.0 112.202 173.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -77.3 -22.05 52.57 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.102 1.361 . . . . 0.0 113.369 171.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 93.1 mmm -98.74 160.62 27.43 Favored Pre-proline 0 CA--C 1.546 0.814 0 C-N-CA 125.831 1.652 . . . . 0.0 113.287 -172.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.0 162.93 41.01 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 123.221 2.614 . . . . 0.0 112.383 174.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.53 137.18 56.58 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.148 1.379 . . . . 0.0 113.056 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.18 5.3 85.74 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.636 1.112 . . . . 0.0 114.648 -176.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 48.4 m -73.92 129.04 37.09 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.976 1.388 . . . . 0.0 108.616 167.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -136.38 160.36 38.98 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -173.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.25 157.72 43.83 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.036 1.334 . . . . 0.0 110.741 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.7 t -122.26 135.57 61.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 C-N-CA 124.855 1.262 . . . . 0.0 109.432 171.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -133.68 153.01 52.01 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.969 1.307 . . . . 0.0 111.527 -176.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.79 133.44 54.75 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.406 0.682 . . . . 0.0 109.651 169.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.3 t -65.8 129.34 39.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 122.161 0.981 . . . . 0.0 113.483 -168.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.0 p -80.91 -3.63 52.07 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.486 1.514 . . . . 0.0 112.955 169.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.5 m -108.42 -32.88 7.25 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.073 1.349 . . . . 0.0 113.745 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.8 m -145.59 143.91 21.24 Favored Pre-proline 0 N--CA 1.477 0.914 0 C-N-CA 123.835 0.854 . . . . 0.0 112.817 -177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.28 142.42 55.04 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 122.721 2.281 . . . . 0.0 111.817 175.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.72 -3.32 43.9 Favored Glycine 0 CA--C 1.542 1.73 0 N-CA-C 116.296 1.278 . . . . 0.0 116.296 176.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -99.06 163.8 12.43 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.917 1.359 . . . . 0.0 112.185 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -118.33 170.55 8.81 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.07 1.348 . . . . 0.0 111.334 173.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.99 129.16 43.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.878 1.271 . . . . 0.0 109.713 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.7 tp -89.39 124.49 34.5 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 125.539 1.536 . . . . 0.0 108.283 170.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 m -114.58 136.21 53.28 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.859 0.864 . . . . 0.0 109.861 172.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 16.0 t -141.08 143.43 34.34 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.037 0.935 . . . . 0.0 112.083 -174.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.3 p -79.15 113.19 17.07 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.112 -0.992 . . . . 0.0 109.402 171.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -139.41 123.47 17.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.258 1.023 . . . . 0.0 113.527 -173.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.2 t30 50.36 50.59 18.44 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.898 2.079 . . . . 0.0 113.274 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.31 86.16 Favored Glycine 0 CA--C 1.538 1.493 0 N-CA-C 115.996 1.158 . . . . 0.0 115.996 174.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -139.34 -173.85 3.71 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.204 1.801 . . . . 0.0 111.22 175.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.5 t -114.89 134.06 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.097 0.959 . . . . 0.0 111.008 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.7 p -110.74 158.86 18.18 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.592 1.957 . . . . 0.0 111.391 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -139.01 137.28 36.17 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.029 1.332 . . . . 0.0 111.187 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -138.9 131.03 28.15 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.288 1.435 . . . . 0.0 111.836 -175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -67.43 132.63 48.02 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.583 -0.698 . . . . 0.0 112.118 177.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.0 mt -111.0 80.47 1.31 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.853 2.061 . . . . 0.0 105.996 168.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 68.0 m -82.08 139.93 34.15 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.771 1.228 . . . . 0.0 112.023 -170.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.77 127.78 35.32 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.465 0.706 . . . . 0.0 112.416 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -134.91 114.09 12.18 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.459 1.503 . . . . 0.0 109.914 170.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 52.01 30.12 7.02 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.829 1.252 . . . . 0.0 114.135 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.56 -3.84 83.8 Favored Glycine 0 CA--C 1.54 1.605 0 C-N-CA 125.877 1.703 . . . . 0.0 115.296 -176.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -93.12 163.15 13.74 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.908 1.683 . . . . 0.0 111.44 174.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 34.3 mm -108.45 114.94 48.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.513 1.525 . . . . 0.0 111.934 -168.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -98.78 127.26 44.65 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 126.18 1.792 . . . . 0.0 109.972 173.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.1 tt -141.16 130.52 24.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.249 1.02 . . . . 0.0 111.036 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.8 t70 51.99 -92.25 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.08 1.752 . . . . 0.0 113.151 -169.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.9 p -130.4 8.31 5.02 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.894 2.077 . . . . 0.0 112.754 177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -107.1 148.66 28.51 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.716 2.006 . . . . 0.0 111.097 -178.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 28.5 tp -123.12 131.41 53.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.425 1.49 . . . . 0.0 110.234 173.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -129.2 155.6 45.28 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 126.356 1.862 . . . . 0.0 111.38 -178.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.61 -35.06 79.71 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -157.24 171.72 19.92 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.303 1.441 . . . . 0.0 111.956 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.0 mt -61.65 -43.18 99.35 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.028 0.931 . . . . 0.0 113.072 -178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.52 -36.01 82.37 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.598 -0.689 . . . . 0.0 112.246 -178.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.91 92.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.884 0.874 . . . . 0.0 112.625 172.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.43 88.34 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.209 0.604 . . . . 0.0 112.205 176.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.6 mm -59.6 -50.36 80.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.042 0.937 . . . . 0.0 110.501 172.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.6 m -59.16 -40.64 86.23 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.575 1.15 . . . . 0.0 112.266 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -58.48 -44.23 89.26 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.164 -0.96 . . . . 0.0 111.847 174.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -78.81 1.19 24.13 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.2 mtt -91.2 -37.34 13.39 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.055 -1.028 . . . . 0.0 110.034 166.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -77.02 -28.99 55.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.603 1.161 . . . . 0.0 113.164 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -129.97 157.08 43.29 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.086 1.754 . . . . 0.0 111.703 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -71.47 144.48 49.67 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.037 -1.04 . . . . 0.0 111.745 175.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.8 tt -82.06 -64.41 1.19 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.905 1.282 . . . . 0.0 110.762 -177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -144.63 -51.39 0.29 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.442 1.097 . . . . 0.0 111.646 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -110.11 -32.37 7.03 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.69 1.596 . . . . 0.0 111.776 177.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.1 t -152.29 175.17 12.93 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.822 1.249 . . . . 0.0 112.403 176.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 61.5 p -88.42 162.93 16.23 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.187 1.395 . . . . 0.0 112.177 169.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.7 mt -68.26 128.73 37.64 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.307 1.043 . . . . 0.0 110.042 172.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.0 mtmm -106.62 -45.61 4.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.749 1.22 . . . . 0.0 113.075 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -154.54 142.59 14.2 Favored Pre-proline 0 CA--C 1.544 0.743 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -64.02 144.01 86.45 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.826 2.351 . . . . 0.0 112.3 168.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp -68.23 148.32 50.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 167.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -88.83 140.49 29.39 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.464 -0.773 . . . . 0.0 111.892 176.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.3 mtm-85 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 124.896 1.278 . . . . 0.0 112.079 170.681 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 33.6 m -68.51 154.83 41.1 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.598 1.159 . . . . 0.0 113.374 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 65.3 p -82.96 -7.41 59.67 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 -178.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . -64.98 155.74 48.35 Favored Glycine 0 CA--C 1.539 1.539 0 C-N-CA 124.319 0.962 . . . . 0.0 113.755 177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 33.7 m 54.7 31.98 16.41 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.53 1.532 . . . . 0.0 114.558 -176.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 22.4 t -61.06 139.12 58.15 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.348 -0.845 . . . . 0.0 111.949 178.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 76.3 -0.4 63.84 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.797 1.189 . . . . 0.0 115.591 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tpt -62.14 128.72 37.47 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.282 1.541 . . . . 0.0 111.278 178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.06 26.34 4.78 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 125.946 1.699 . . . . 0.0 115.248 -178.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -70.02 -33.66 72.29 Favored 'General case' 0 N--CA 1.476 0.863 0 O-C-N 121.004 -1.06 . . . . 0.0 113.204 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.32 9.62 0.26 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 128.4 2.68 . . . . 0.0 117.429 173.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.45 159.26 15.32 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.379 1.472 . . . . 0.0 112.972 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.06 148.08 98.94 Favored Pre-proline 0 CA--C 1.549 0.922 0 C-N-CA 123.594 0.758 . . . . 0.0 111.144 169.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.54 -22.66 58.33 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 122.817 2.344 . . . . 0.0 113.377 -174.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.2 p-90 -85.28 -8.62 58.42 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 174.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -87.72 127.94 35.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.823 1.647 . . . . 0.0 112.255 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -119.29 0.21 11.11 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.084 1.754 . . . . 0.0 113.742 -178.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 65.22 -140.54 41.68 Favored Glycine 0 CA--C 1.54 1.624 0 CA-C-O 118.744 -1.031 . . . . 0.0 113.707 174.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -67.43 46.25 0.28 Allowed 'Trans proline' 0 CA--C 1.549 1.273 1 C-N-CA 125.395 4.063 . . . . 0.0 116.667 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.2 tp -71.7 149.6 45.32 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.787 -1.195 . . . . 0.0 110.34 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.7 m -91.87 156.35 17.55 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.884 0.874 . . . . 0.0 111.454 171.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 42.9 mtp180 -53.05 -48.63 67.51 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 121.739 -0.601 . . . . 0.0 112.548 175.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -57.19 -37.72 72.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 123.268 0.627 . . . . 0.0 112.597 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -71.48 -41.44 69.34 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.093 0.957 . . . . 0.0 112.252 174.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.52 98.73 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.539 0.736 . . . . 0.0 111.91 173.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.11 -45.85 75.95 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.73 1.212 . . . . 0.0 112.296 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 20.9 m-80 -64.97 -31.35 72.54 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.089 0.858 . . . . 0.0 112.389 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -71.03 -52.37 19.94 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.07 0.548 . . . . 0.0 111.787 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.73 -25.72 59.31 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.93 1.085 . . . . 0.0 113.93 -174.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.63 -26.55 63.53 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.196 0.907 . . . . 0.0 112.25 173.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -80.74 -33.04 35.41 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.737 1.215 . . . . 0.0 112.478 173.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -75.92 161.6 75.03 Favored Pre-proline 0 CA--C 1.546 0.827 0 C-N-CA 125.397 1.479 . . . . 0.0 113.741 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -66.51 164.33 29.14 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.373 2.715 . . . . 0.0 112.479 169.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.37 145.29 52.06 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.673 1.189 . . . . 0.0 112.692 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 8.26 87.83 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.98 0.8 . . . . 0.0 114.483 -176.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.0 m -77.55 130.51 37.02 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.139 0.969 . . . . 0.0 109.282 169.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -137.41 160.69 38.38 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 pp -146.2 156.08 43.15 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 125.153 1.381 . . . . 0.0 110.743 175.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.0 t -120.81 135.08 62.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 125.327 1.451 . . . . 0.0 109.275 171.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -140.93 163.13 33.78 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.076 1.351 . . . . 0.0 111.484 -173.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -60.98 136.45 58.09 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.911 0.884 . . . . 0.0 111.081 170.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.5 t -75.78 135.01 40.29 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -170.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.0 m -58.73 120.5 9.06 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.735 1.214 . . . . 0.0 110.75 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m 53.67 22.25 3.01 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -133.3 87.1 39.34 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 124.96 1.304 . . . . 0.0 111.702 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -56.47 134.49 64.63 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.257 2.638 . . . . 0.0 113.028 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.18 -6.41 56.77 Favored Glycine 0 CA--C 1.539 1.59 0 N-CA-C 115.939 1.136 . . . . 0.0 115.939 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -98.01 161.6 13.64 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.307 1.554 . . . . 0.0 111.651 172.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -122.84 170.65 9.87 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.833 1.253 . . . . 0.0 111.781 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.7 t -135.37 128.27 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.996 1.319 . . . . 0.0 110.112 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.5 tp -89.3 120.64 30.83 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.913 1.685 . . . . 0.0 107.618 169.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -112.63 135.34 53.47 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.7 0.8 . . . . 0.0 109.697 173.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.3 m -136.69 142.77 43.14 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.233 1.013 . . . . 0.0 112.278 -172.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 67.6 p -82.0 112.03 18.72 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.959 0.885 . . . . 0.0 108.653 169.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.24 135.84 34.34 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.805 1.242 . . . . 0.0 112.2 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 53.61 38.12 27.53 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.694 1.597 . . . . 0.0 113.965 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.26 8.45 74.93 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.302 0.953 . . . . 0.0 115.394 -178.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -132.3 -171.52 2.66 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.009 2.124 . . . . 0.0 110.878 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.6 t -121.02 135.34 61.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.235 1.014 . . . . 0.0 110.459 176.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 41.5 p -117.86 157.4 26.71 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.539 1.936 . . . . 0.0 111.151 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.81 137.79 35.27 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.953 1.301 . . . . 0.0 111.12 -178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -140.72 127.26 20.11 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.36 1.464 . . . . 0.0 110.78 -174.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -71.5 134.4 46.5 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.093 -1.005 . . . . 0.0 112.292 177.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.9 mt -104.8 81.07 1.71 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 128.175 2.59 . . . . 0.0 105.781 168.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 73.6 m -79.79 139.43 37.24 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.754 1.222 . . . . 0.0 111.681 -172.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.25 126.1 30.7 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.168 0.587 . . . . 0.0 111.107 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -139.22 109.31 6.4 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.554 1.542 . . . . 0.0 109.637 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 51.96 31.13 8.13 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.937 1.295 . . . . 0.0 114.277 -175.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.33 0.8 90.27 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.692 1.615 . . . . 0.0 115.217 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -106.75 174.01 6.07 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.898 2.079 . . . . 0.0 111.088 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.9 mm -108.01 120.18 58.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.967 1.307 . . . . 0.0 111.387 -170.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -105.59 128.19 53.47 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.96 1.704 . . . . 0.0 110.09 172.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.9 tt -139.37 127.87 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.841 1.257 . . . . 0.0 110.45 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 54.92 -95.12 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 125.53 1.532 . . . . 0.0 111.411 -167.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 74.7 p -119.73 -13.34 9.13 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.325 1.45 . . . . 0.0 113.372 169.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -80.97 135.63 35.9 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.818 1.647 . . . . 0.0 111.39 -173.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.9 tp -106.44 134.08 50.13 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.783 1.233 . . . . 0.0 110.781 171.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -131.84 154.34 49.26 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.65 1.98 . . . . 0.0 110.966 177.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.9 -35.78 82.24 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -156.46 172.14 19.05 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.544 1.538 . . . . 0.0 111.62 -173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.0 mt -61.31 -43.76 98.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.871 0.868 . . . . 0.0 112.935 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.5 -35.45 80.5 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.644 -0.66 . . . . 0.0 112.289 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.24 91.74 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.753 0.821 . . . . 0.0 112.674 172.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.68 86.28 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.279 0.632 . . . . 0.0 112.184 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 38.5 mm -60.01 -49.77 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 123.937 0.895 . . . . 0.0 110.342 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.6 m -59.03 -38.79 80.14 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.675 1.19 . . . . 0.0 112.431 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -60.95 -46.49 90.5 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.209 -0.932 . . . . 0.0 111.846 173.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -77.8 -5.73 51.76 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.8 mmt -76.81 -36.36 56.98 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.984 -1.073 . . . . 0.0 110.144 166.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -88.0 -28.33 21.49 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.01 1.324 . . . . 0.0 113.42 -178.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -128.29 146.71 50.67 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.503 1.521 . . . . 0.0 111.996 -176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -65.67 136.88 56.87 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.493 -0.754 . . . . 0.0 111.476 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.29 -62.43 1.66 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.4 1.08 . . . . 0.0 110.757 -175.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -142.9 -49.09 0.33 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.517 1.127 . . . . 0.0 111.23 173.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -110.37 -33.68 6.56 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.265 1.426 . . . . 0.0 111.578 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.6 t -155.8 174.93 14.61 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.332 1.053 . . . . 0.0 113.285 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.2 m -84.4 158.92 20.94 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 125.386 1.474 . . . . 0.0 112.218 174.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.4 mt -64.5 146.12 55.06 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.704 1.201 . . . . 0.0 110.979 169.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -136.2 -41.65 0.65 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.26 1.207 . . . . 0.0 114.26 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -149.88 144.76 18.0 Favored Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -72.18 154.77 56.98 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.657 2.238 . . . . 0.0 111.39 170.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.6 tp -74.1 153.24 39.67 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.95 0.9 . . . . 0.0 112.057 169.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -93.71 143.66 26.11 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.772 1.629 . . . . 0.0 111.509 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.151 0 C-N-CA 125.908 1.683 . . . . 0.0 113.051 173.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' -6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 22.3 m 60.81 174.12 0.1 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.386 1.875 . . . . 0.0 115.113 -176.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 78.1 p -76.07 -18.85 59.03 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -177.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . 75.8 11.45 84.58 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 124.636 1.113 . . . . 0.0 115.234 -178.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 42.4 t -145.34 146.0 31.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.901 1.281 . . . . 0.0 112.183 178.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 39.1 m -78.32 -15.84 58.33 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.357 1.063 . . . . 0.0 113.341 174.257 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 65.04 19.07 65.46 Favored Glycine 0 CA--C 1.541 1.66 0 C-N-CA 124.451 1.024 . . . . 0.0 114.934 -179.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -78.61 156.52 29.06 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.125 1.37 . . . . 0.0 114.085 -170.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.8 172.76 12.95 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.93 1.292 . . . . 0.0 112.748 174.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -71.21 146.51 49.0 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.279 1.432 . . . . 0.0 110.806 173.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.01 11.5 3.35 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 127.029 2.131 . . . . 0.0 115.035 -173.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.33 153.43 42.66 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.493 1.117 . . . . 0.0 112.457 177.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.21 150.11 54.29 Favored Pre-proline 0 CA--C 1.551 0.992 0 C-N-CA 124.126 0.97 . . . . 0.0 112.624 179.049 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.53 -21.1 46.75 Favored 'Trans proline' 0 CA--C 1.536 0.592 0 C-N-CA 122.931 2.421 . . . . 0.0 113.608 -174.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -91.67 -4.64 54.92 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 126.141 1.776 . . . . 0.0 114.343 176.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -94.88 128.48 41.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 120.081 1.309 . . . . 0.0 113.055 -171.068 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -115.13 -1.45 13.0 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.857 1.428 . . . . 0.0 114.857 -175.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.15 -141.18 37.14 Favored Glycine 0 CA--C 1.539 1.577 0 O-C-N 120.913 -1.117 . . . . 0.0 112.533 -177.032 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.62 56.56 5.64 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 124.487 3.458 . . . . 0.0 113.406 -175.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.4 141.27 45.1 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.798 1.239 . . . . 0.0 110.607 173.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.8 m -87.97 159.82 18.16 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.245 1.018 . . . . 0.0 111.799 173.33 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.1 mtp180 -51.41 -52.08 49.18 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.632 0.773 . . . . 0.0 112.651 176.006 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.3 m -57.11 -37.27 71.72 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 -175.517 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -69.46 -42.56 74.72 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.202 1.001 . . . . 0.0 112.343 175.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.36 93.76 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.489 0.716 . . . . 0.0 111.991 174.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.89 -42.46 85.49 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.593 1.157 . . . . 0.0 112.342 -178.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -65.05 -39.04 92.72 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 119.034 0.834 . . . . 0.0 111.952 175.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 57.3 m -70.21 -44.51 68.46 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.3 mp -76.43 -17.62 59.24 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.7 tp -78.38 -30.19 47.76 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.733 0.813 . . . . 0.0 111.826 168.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.8 ttp-105 -73.75 -33.48 64.31 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.548 1.139 . . . . 0.0 112.455 171.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 87.6 mmm -83.47 162.12 54.52 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 125.902 1.681 . . . . 0.0 113.299 178.345 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -73.71 166.96 28.44 Favored 'Trans proline' 0 CA--C 1.538 0.709 0 C-N-CA 123.335 2.69 . . . . 0.0 112.624 172.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.11 141.08 41.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.586 1.554 . . . . 0.0 113.128 175.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.7 2.17 89.9 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.646 1.117 . . . . 0.0 115.033 -177.008 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.4 m -75.35 129.81 37.98 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.324 1.062 . . . . 0.0 109.176 168.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -135.05 162.17 33.23 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -177.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.3 pp -145.88 160.5 41.71 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.208 1.403 . . . . 0.0 111.036 174.702 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.6 t -122.75 138.68 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 C-N-CA 124.257 1.023 . . . . 0.0 109.533 169.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -134.13 157.87 45.09 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.342 1.457 . . . . 0.0 111.612 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -63.9 135.35 56.47 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.192 0.997 . . . . 0.0 110.104 169.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 t -70.95 132.65 45.51 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -169.389 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 p -86.24 4.18 39.92 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.858 1.663 . . . . 0.0 113.892 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.9 t -144.62 125.8 14.65 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.942 1.297 . . . . 0.0 110.676 169.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.7 m 65.22 137.7 0.05 OUTLIER Pre-proline 0 N--CA 1.482 1.15 0 C-N-CA 127.589 2.355 . . . . 0.0 114.949 -168.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -77.52 158.78 32.46 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.687 2.924 . . . . 0.0 113.332 -175.243 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.56 -1.54 57.12 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.961 1.267 . . . . 0.0 116.085 173.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -99.69 166.42 11.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.299 1.44 . . . . 0.0 112.188 179.233 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -122.7 174.03 7.36 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.048 1.339 . . . . 0.0 111.369 173.168 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.4 t -138.36 128.11 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.623 1.169 . . . . 0.0 109.841 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -89.55 127.99 35.95 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 125.361 1.464 . . . . 0.0 107.963 170.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.0 m -119.87 137.81 53.79 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.472 0.709 . . . . 0.0 110.147 172.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 15.3 t -141.0 144.78 35.23 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.935 0.894 . . . . 0.0 112.23 -174.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.9 p -81.33 110.71 17.03 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 121.08 -1.013 . . . . 0.0 109.303 172.058 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -137.26 109.78 7.45 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -170.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 48.0 t30 54.75 57.67 5.49 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.614 1.966 . . . . 0.0 113.348 174.624 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 77.41 9.41 86.85 Favored Glycine 0 CA--C 1.537 1.435 0 N-CA-C 115.811 1.084 . . . . 0.0 115.811 172.327 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -143.56 177.78 8.24 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.241 2.216 . . . . 0.0 110.532 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.1 t -113.68 132.66 61.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.287 1.035 . . . . 0.0 110.348 173.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 40.7 p -110.48 158.47 18.47 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.327 1.851 . . . . 0.0 111.37 -179.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -140.45 137.86 34.24 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.231 1.413 . . . . 0.0 111.028 -178.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -140.11 127.54 21.4 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.024 1.33 . . . . 0.0 111.758 -174.589 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -67.03 131.0 44.95 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.616 0.766 . . . . 0.0 111.632 176.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.3 mt -108.6 83.11 1.71 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.904 2.081 . . . . 0.0 106.325 169.104 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 67.7 m -82.87 137.59 34.21 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 124.55 1.14 . . . . 0.0 111.827 -171.378 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.57 129.27 34.93 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.3 0.64 . . . . 0.0 112.661 -177.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -135.46 111.78 9.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.388 1.475 . . . . 0.0 109.947 171.129 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 51.9 30.19 6.9 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.875 1.27 . . . . 0.0 114.269 -176.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.04 -7.56 77.25 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 125.921 1.724 . . . . 0.0 115.331 -176.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 57.3 mttm -86.65 162.32 18.0 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.489 1.516 . . . . 0.0 111.368 172.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.1 mm -112.51 112.35 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 125.912 1.685 . . . . 0.0 111.318 -169.386 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -95.82 127.61 42.0 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.315 1.846 . . . . 0.0 110.058 174.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 tt -142.62 130.55 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 124.319 1.047 . . . . 0.0 111.178 175.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t70 51.75 -93.0 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.069 1.748 . . . . 0.0 113.12 -169.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 32.5 p -129.77 8.34 5.3 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.825 2.05 . . . . 0.0 112.813 177.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -106.24 149.31 27.0 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.555 1.942 . . . . 0.0 111.024 -179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 44.1 tp -124.29 128.25 48.87 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.387 1.475 . . . . 0.0 110.005 172.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -124.32 156.15 37.47 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 126.061 1.744 . . . . 0.0 111.204 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -66.63 -34.22 77.4 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.0 p30 -156.76 172.56 18.39 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.306 1.442 . . . . 0.0 111.416 -172.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.5 -48.51 81.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.133 0.973 . . . . 0.0 112.094 -177.386 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -64.21 -32.15 73.62 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.057 0.943 . . . . 0.0 112.683 -175.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.52 84.59 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.574 0.75 . . . . 0.0 112.571 171.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.66 79.83 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 118.554 0.616 . . . . 0.0 111.894 174.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 22.3 mm -57.87 -50.81 76.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-O 121.536 0.684 . . . . 0.0 109.987 172.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.3 m -59.45 -40.81 88.04 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.311 1.444 . . . . 0.0 112.138 -178.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -61.31 -46.44 90.29 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.419 -0.8 . . . . 0.0 111.835 173.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -78.06 -6.5 54.78 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 179.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.8 mmt -77.74 -37.52 49.08 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 120.903 -1.123 . . . . 0.0 110.058 166.625 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -85.92 -28.52 24.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.856 1.262 . . . . 0.0 113.502 -178.743 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -129.2 148.28 51.12 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.582 1.553 . . . . 0.0 111.786 -176.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.22 137.16 57.8 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.522 -0.736 . . . . 0.0 111.512 179.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 tt -75.5 -62.39 1.59 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.482 1.113 . . . . 0.0 110.584 -175.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -144.48 -46.04 0.25 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.703 1.201 . . . . 0.0 111.211 172.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -115.5 -31.39 5.91 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.944 1.698 . . . . 0.0 111.743 178.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.8 t -155.14 172.37 18.26 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.358 1.063 . . . . 0.0 113.119 175.357 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.0 m -83.96 156.78 22.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.094 1.358 . . . . 0.0 112.036 173.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 40.4 mt -63.32 146.03 54.33 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.417 1.087 . . . . 0.0 110.725 169.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -132.42 -42.41 0.95 Allowed 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 -177.264 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -154.87 147.66 17.94 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -178.733 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -75.26 149.2 35.31 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.787 2.324 . . . . 0.0 111.995 173.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.2 tp -72.57 146.12 46.93 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.703 0.801 . . . . 0.0 109.589 167.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -76.33 132.42 39.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.693 0.797 . . . . 0.0 111.472 -174.151 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.241 0 C-N-CA 126.535 1.934 . . . . 0.0 112.33 -175.635 . . . . . . . . 1 1 . 1 stop_ save_