data_2l8v_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 2l8v _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.756 0.232 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.512 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 40.6 t -88.08 125.38 41.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -137.7 146.78 44.19 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp -99.89 107.82 19.91 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.415 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 88.9 mtt180 -90.0 159.55 16.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.956 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.65 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.328 0.585 . . . . 0.0 110.473 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -101.16 86.34 3.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.89 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.415 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 68.8 p-90 -118.69 150.2 40.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.439 0.637 . . . . 0.0 112.006 -174.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.7 t -98.22 155.62 17.09 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 170.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.754 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 34.6 mt-10 -57.89 -40.34 80.04 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.866 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -56.05 -36.25 67.84 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.04 0.448 . . . . 0.0 111.675 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.404 ' O ' HG23 ' A' ' 17' ' ' VAL . 33.3 t70 -67.91 -44.69 76.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.728 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' A' ' 45' ' ' ARG . 64.0 tp -66.95 -37.12 83.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.265 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 5.1 mm-40 -57.99 -36.32 72.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.283 0.563 . . . . 0.0 109.605 176.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -67.23 -43.14 82.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.383 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 13' ' ' ASP . 96.9 t -60.13 -55.4 24.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.436 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.4 pt -63.09 -34.92 69.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.491 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -75.41 -19.97 59.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.73 0.3 . . . . 0.0 111.563 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.83 -35.18 44.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.768 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.82 -42.67 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.448 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.249 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 58' ' ' VAL . 29.9 mt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.2 p -55.02 -33.27 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.966 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -76.04 -45.3 35.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.653 0.263 . . . . 0.0 110.704 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.71 99.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.689 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -58.9 -50.42 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.156 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 p -68.68 -39.54 80.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.369 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.5 mt -68.26 -38.29 81.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.502 0.191 . . . . 0.0 111.199 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.7 tp -71.82 -39.02 70.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.394 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' HA ' HD21 ' A' ' 14' ' ' LEU . 19.6 ttt85 -69.84 -18.62 63.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.669 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -94.35 -2.68 51.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.666 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.79 42.44 97.09 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.775 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -106.07 -36.53 6.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.826 0.346 . . . . 0.0 111.182 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.8 pt -103.31 152.9 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.6 p -84.85 162.55 19.48 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.541 ' O ' HG22 ' A' ' 55' ' ' VAL . 61.3 t -58.56 -34.65 51.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.189 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.551 ' HD2' HG22 ' A' ' 122' ' ' THR . 1.0 OUTLIER -55.4 -49.77 71.47 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.415 0.626 . . . . 0.0 110.422 177.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.66 -33.67 72.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.82 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -66.37 -37.97 86.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.142 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 51' ' ' VAL . 53.1 t -57.46 -42.52 80.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.675 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 53.6 ttp180 -56.35 -51.84 66.8 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.955 0.407 . . . . 0.0 110.46 177.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.91 -44.21 91.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.593 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.464 ' HA ' HD12 ' A' ' 37' ' ' LEU . 59.5 t -73.47 -38.19 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.557 0.218 . . . . 0.0 111.495 -176.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.73 79.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 18.8 ptpt -113.11 17.34 18.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 110.921 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.0 p -55.65 -70.41 0.11 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.642 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 63' ' ' LEU . 6.7 tp10 -92.91 171.36 9.01 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 9.6 mp -51.92 108.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.038 0.447 . . . . 0.0 110.498 176.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -69.29 -14.36 62.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.141 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.632 0.73 . . . . 0.0 109.17 175.417 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 77' ' ' VAL . 99.3 m-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 78' ' ' ILE . 85.1 mm-40 -56.74 -41.7 77.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.323 0.389 . . . . 0.0 110.982 -176.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -58.97 -43.45 91.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.834 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.54 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 12.5 tpt180 -69.65 -40.58 76.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.159 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 73' ' ' PHE . 96.1 t -59.74 -44.94 94.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 74' ' ' GLN . 93.1 mt -60.73 -42.71 93.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.732 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.11 -37.54 87.83 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.5 mt -59.92 -50.37 74.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.485 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.98 -43.32 99.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.513 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.482 ' HD2' ' O ' ' A' ' 88' ' ' ARG . 1.3 t80 -57.84 -48.99 78.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.546 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -77.4 -19.92 55.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.264 -0.426 . . . . 0.0 112.103 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -94.98 -30.59 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.424 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.9 mt -101.89 -27.21 13.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.9 mt -112.31 -12.41 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.95 0.405 . . . . 0.0 110.711 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.76 14.82 81.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.372 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.482 ' O ' ' HD2' ' A' ' 82' ' ' TYR . 42.7 ttm180 -145.94 156.16 43.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -93.54 155.17 40.97 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.694 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.05 157.1 14.16 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.982 2.455 . . . . 0.0 112.712 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -98.5 -34.88 10.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.545 -175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -142.51 168.38 19.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.788 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.448 ' O ' HG12 ' A' ' 97' ' ' ILE . 32.9 tt0 -58.85 -27.16 64.87 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.805 0.442 . . . . 0.0 110.822 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.5 m -56.67 -41.76 77.83 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -174.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.57 -43.27 99.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.905 0.383 . . . . 0.0 110.417 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.59 -46.13 93.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.081 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 93' ' ' GLU . 46.5 mm -61.16 -40.41 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.016 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.38 -44.42 95.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -72.39 -30.92 65.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.998 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.03 -44.9 94.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.35 174.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.21 -40.68 98.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.875 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.09 -40.79 96.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.985 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.68 -31.54 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.838 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.4 -33.02 37.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -73.13 -55.29 6.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.911 0.386 . . . . 0.0 111.257 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -120.21 -37.64 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.539 -174.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.98 -162.47 16.77 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.499 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -74.72 -33.0 62.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.965 0.506 . . . . 0.0 110.724 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.484 ' CG ' ' HZ2' ' A' ' 60' ' ' LYS . 8.1 t70 -60.04 -46.27 90.08 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.419 0.628 . . . . 0.0 110.383 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.74 68.08 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.896 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.59 -48.59 71.96 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 76.7 mt -58.93 -49.71 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.722 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.551 ' HA ' HD12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -58.07 -23.08 53.18 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 m -66.1 -34.04 77.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.725 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -76.92 -10.19 59.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 113' ' ' ASP . 31.6 mt -92.66 -57.82 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.345 -174.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -75.61 -8.7 57.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.172 -172.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.4 t -50.09 109.63 1.36 Allowed Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.887 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.22 -53.79 1.04 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.054 2.503 . . . . 0.0 113.664 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -34.67 73.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.684 0.278 . . . . 0.0 110.962 -172.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -70.26 -40.95 74.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.75 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.551 HG22 ' HD2' ' A' ' 52' ' ' ARG . 99.4 m -61.82 -51.85 66.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.771 0.32 . . . . 0.0 111.165 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -68.92 -43.98 74.06 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -175.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.4 t -80.53 -47.81 13.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 84.0 t80 -83.91 -39.19 20.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -172.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.571 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 159.23 127.7 0.93 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 119.643 -1.265 . . . . 0.0 113.441 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -51.14 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.06 0.457 . . . . 0.0 110.432 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -102.43 18.92 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.021 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.571 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 59.0 t -102.97 138.99 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.558 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.512 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 58.8 t -85.03 125.21 71.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.516 177.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.467 ' HA ' ' CE2' ' A' ' 125' ' ' PHE . 7.1 Cg_endo -49.39 110.86 0.4 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.714 2.943 . . . . 0.0 113.755 -176.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -106.35 167.16 10.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.512 175.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -65.75 100.9 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 0.0 110.467 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.843 178.097 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.534 ' HA ' ' CE1' ' A' ' 132' ' ' TYR . 9.3 Cg_exo . . . . . 0 N--CA 1.458 -0.567 0 N-CA-C 110.658 -0.555 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.8 t -69.48 98.94 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.895 0.378 . . . . 0.0 110.299 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -117.27 153.2 33.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.261 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.496 HD12 HG21 ' A' ' 17' ' ' VAL . 12.3 tp -119.89 99.29 6.54 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.505 ' O ' ' HE3' ' A' ' 9' ' ' TRP . 20.7 ptt180 -84.66 162.19 19.81 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.077 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.3 36.46 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -166.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' ' 6' ' ' ARG . 22.9 t-20 -168.97 77.26 0.11 Allowed 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 172.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.505 ' HE3' ' O ' ' A' ' 6' ' ' ARG . 12.9 p90 -111.14 166.38 11.12 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.764 -169.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -98.23 159.03 15.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.17 -24.73 65.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.106 0.479 . . . . 0.0 110.351 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.49 -38.51 91.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.919 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -67.75 -39.78 84.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.383 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.734 ' HG ' ' HG3' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -59.12 -47.22 86.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.538 176.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.43 -39.04 78.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.3 m -59.98 -44.72 94.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.377 176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG21 HD12 ' A' ' 5' ' ' LEU . 72.2 t -61.42 -47.79 91.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.579 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.459 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 92.2 mt -55.13 -51.93 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.885 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -63.1 -27.21 69.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.482 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.04 -36.45 56.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.648 0.261 . . . . 0.0 111.085 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 17' ' ' VAL . 88.8 t -72.47 -48.42 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.722 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 18' ' ' ILE . 87.4 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.866 0.365 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.01 -25.34 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.929 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 22.5 m -60.3 -48.28 82.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.913 0.387 . . . . 0.0 110.387 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.5 89.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.231 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.13 -41.15 87.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.924 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -68.79 -42.8 76.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.982 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.446 HD23 ' HD2' ' A' ' 48' ' ' LYS . 95.6 mt -61.34 -37.65 84.08 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.4 tp -72.51 -40.14 67.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.584 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.734 ' HG3' ' HG ' ' A' ' 14' ' ' LEU . 25.4 ttp180 -69.67 -33.35 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.339 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -80.27 -23.43 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.045 0.45 . . . . 0.0 110.476 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.68 54.28 1.45 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.532 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HD2' HD23 ' A' ' 43' ' ' LEU . 24.7 ttmm -116.25 -47.56 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.914 0.388 . . . . 0.0 110.609 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.5 pt -106.3 161.92 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.415 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -87.04 174.51 8.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.462 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' ' 55' ' ' VAL . 83.9 t -65.89 -36.67 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.974 ' HD3' HG23 ' A' ' 122' ' ' THR . 5.3 ttp180 -60.31 -41.87 94.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 176.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.82 -38.32 90.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.019 0.438 . . . . 0.0 110.772 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -66.33 -50.7 62.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.304 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 51' ' ' VAL . 84.7 t -58.66 -43.09 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.692 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.499 ' HB2' HG21 ' A' ' 116' ' ' ILE . 20.9 ttt180 -52.29 -53.52 43.13 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.847 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.53 56.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.063 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.61 -35.06 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.609 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.41 79.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -99.9 10.81 40.69 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.489 -0.484 . . . . 0.0 112.206 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 p -98.11 -24.62 15.23 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.967 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.76 170.31 16.7 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.068 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.57 75.21 2.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.196 0.522 . . . . 0.0 110.942 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -62.35 -25.06 67.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.398 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.3 tptm . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.243 -177.525 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -52.09 -39.52 59.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.759 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.458 HG22 HG13 ' A' ' 96' ' ' VAL . 6.0 m -58.33 -40.61 82.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.275 0.56 . . . . 0.0 111.013 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.538 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 13.8 mmm-85 -79.42 -23.6 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.055 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.51 -37.04 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.359 0.599 . . . . 0.0 109.515 173.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.47 HD13 HG11 ' A' ' 96' ' ' VAL . 77.3 mt -64.0 -43.55 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.074 174.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -57.5 -36.51 71.6 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.455 175.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 86.0 mt -63.71 -46.73 84.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.889 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -76.84 -28.21 55.4 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.968 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -65.09 -45.78 83.78 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.018 0.437 . . . . 0.0 109.975 178.496 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -78.7 -17.77 55.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -74.73 -30.6 61.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 0.0 109.952 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.541 HD13 HG22 ' A' ' 112' ' ' ILE . 76.8 mt -101.02 -51.18 3.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.161 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.645 ' HA ' ' HB2' ' A' ' 131' ' ' PRO . 38.6 mt -112.02 -3.38 14.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -171.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.97 31.35 76.08 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.824 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -130.13 148.14 51.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.669 0.388 . . . . 0.0 110.252 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.25 153.57 37.98 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.35 119.73 6.84 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.623 2.215 . . . . 0.0 111.788 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -74.96 -41.64 59.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.131 0.491 . . . . 0.0 110.399 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -126.97 -179.83 5.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.329 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 97' ' ' ILE . 40.7 tt0 -87.28 -18.54 29.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.551 -176.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.0 m -66.14 -36.85 84.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.222 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.67 -38.34 81.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.219 0.533 . . . . 0.0 110.117 173.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.47 HG11 HD13 ' A' ' 78' ' ' ILE . 99.8 t -66.24 -51.08 63.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.203 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 93' ' ' GLU . 85.6 mt -54.77 -44.53 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.109 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.5 -42.03 86.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.969 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -74.26 -33.92 63.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 95.3 mt -59.62 -49.63 76.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.0 110.215 175.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.89 -37.5 84.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.639 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.494 ' CD2' ' HA ' ' A' ' 111' ' ' ASP . 21.3 tp -62.08 -44.68 96.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.662 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.99 -44.74 96.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.002 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 45.2 mt-10 -59.14 -47.86 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 111.371 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -89.93 -51.65 5.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.18 -172.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -92.22 -35.95 13.53 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.61 174.63 18.91 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.011 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -78.04 -29.92 49.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.129 0.49 . . . . 0.0 109.916 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 7.5 p-10 -63.05 -38.2 90.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.203 177.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.87 -25.4 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.301 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.494 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 25.3 t70 -60.42 -47.6 85.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.712 176.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.541 HG22 HD13 ' A' ' 85' ' ' LEU . 43.9 mt -70.72 -35.23 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.704 174.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 7.4 t70 -66.1 -30.97 71.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.571 -174.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.2 p -55.01 -33.28 62.47 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.701 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.409 ' HD2' HD12 ' A' ' 86' ' ' LEU . 80.3 m-85 -68.2 -55.14 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.136 0.493 . . . . 0.0 110.046 178.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.499 HG21 ' HB2' ' A' ' 56' ' ' ARG . 48.3 mm -63.4 -33.9 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.093 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.88 -5.95 50.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.211 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.5 t -95.52 104.68 16.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.877 0.37 . . . . 0.0 110.452 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.63 -48.9 4.91 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.874 2.382 . . . . 0.0 112.812 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.3 -54.6 30.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.508 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -69.27 -22.41 63.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.85 -173.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.974 HG23 ' HD3' ' A' ' 52' ' ' ARG . 68.8 m -80.29 -40.29 27.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.209 172.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -66.43 -35.89 81.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.976 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.8 p -66.39 -29.57 69.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.562 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' A' ' 131' ' ' PRO . 1.2 t80 -91.87 -38.76 12.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.914 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 146.23 118.46 1.13 Allowed Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.712 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.5 -29.29 30.58 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -111.4 16.06 21.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.233 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.914 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 60.8 t -119.03 139.94 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.781 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.427 ' CG2' HG11 ' A' ' 17' ' ' VAL . 61.3 t -84.46 115.85 62.36 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.451 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.645 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 6.7 Cg_exo -73.61 93.42 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.742 2.295 . . . . 0.0 111.971 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.534 ' CE1' ' HA ' ' A' ' 2' ' ' PRO . 27.0 p90 -92.92 178.29 5.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.202 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -57.5 130.73 47.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.85 0.357 . . . . 0.0 110.427 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 134' ' ' ARG . 46.1 mtp180 . . . . . 0 C--N 1.326 -0.413 0 CA-C-O 120.997 0.427 . . . . 0.0 111.586 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.444 ' HD2' ' OE2' ' A' ' 4' ' ' GLU . 83.6 Cg_endo . . . . . 0 N--CA 1.462 -0.355 0 N-CA-C 110.529 -0.604 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 17' ' ' VAL . 21.1 t -67.35 98.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.041 177.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.444 ' OE2' ' HD2' ' A' ' 2' ' ' PRO . 12.3 pt-20 -135.63 137.29 41.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.844 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.5 tp -93.16 117.36 29.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -89.52 169.42 11.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.053 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.84 -54.76 42.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.433 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.02 76.69 6.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.975 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -82.83 168.36 17.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 p -128.4 177.42 6.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.095 177.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -61.8 -53.12 60.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -173.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -32.35 62.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.02 -50.72 70.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.972 177.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' A' ' 45' ' ' ARG . 54.3 tp -61.37 -44.41 97.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.956 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.27 -35.22 80.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.638 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -64.3 -37.65 88.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.899 0.38 . . . . 0.0 110.291 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.494 HG13 ' CG2' ' A' ' 130' ' ' VAL . 63.3 t -61.24 -52.88 56.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.27 174.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.464 HD13 ' HG2' ' A' ' 41' ' ' GLU . 76.1 mt -60.05 -44.28 94.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.92 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -59.97 -35.9 75.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.166 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.24 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.185 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.43 -43.82 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.568 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.665 -179.796 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD21 ' CB ' ' A' ' 61' ' ' SER . 66.7 mt . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 p -57.69 -27.11 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.711 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.602 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.5 m -60.39 -48.56 81.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.187 175.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HA ' HD13 ' A' ' 43' ' ' LEU . . . -67.5 -37.74 83.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' HG2' HD13 ' A' ' 18' ' ' ILE . 1.1 tm-20 -59.69 -45.02 93.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.965 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -65.6 -30.4 71.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.847 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.0 mt -66.72 -44.75 80.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.517 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -76.07 -34.38 59.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.567 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.519 ' HA ' HD21 ' A' ' 14' ' ' LEU . 39.1 ttp180 -66.28 -35.72 81.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.323 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -76.25 -31.89 58.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.949 174.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.98 30.81 16.38 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.437 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 19.6 ptpt -96.76 -5.09 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.135 0.493 . . . . 0.0 110.88 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 pt -131.7 165.54 31.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.9 p -95.47 172.38 8.11 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.452 ' O ' HG21 ' A' ' 55' ' ' VAL . 96.5 t -68.11 -30.83 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.67 ' HG3' HG22 ' A' ' 122' ' ' THR . 12.1 ttm180 -54.07 -51.37 64.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.143 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -66.69 -40.7 88.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.48 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.64 -50.14 74.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.059 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 51' ' ' VAL . 63.8 t -60.57 -41.31 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.82 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.519 ' HB2' HG22 ' A' ' 116' ' ' ILE . 2.7 ttt180 -59.69 -49.72 76.64 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.216 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.84 82.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.015 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.72 -49.63 72.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.255 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.87 -29.86 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -93.11 8.91 38.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.48 ' CB ' HD21 ' A' ' 37' ' ' LEU . 74.1 m -115.61 85.2 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -170.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 69.48 -64.2 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 156.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.1 mt -42.4 113.09 0.41 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -164.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 61.69 23.18 13.55 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.461 172.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 78.2 tttt . . . . . 0 CA--C 1.519 -0.218 0 O-C-N 123.733 0.645 . . . . 0.0 109.869 178.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.429 ' HD2' ' OG1' ' A' ' 75' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.12 -25.87 66.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.216 0.531 . . . . 0.0 110.483 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.429 ' OG1' ' HD2' ' A' ' 73' ' ' PHE . 21.5 p -62.72 -34.76 77.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.71 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -65.93 -32.88 74.63 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.96 0.409 . . . . 0.0 110.534 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.4 -43.4 97.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.632 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.428 HD11 HG11 ' A' ' 96' ' ' VAL . 59.8 mt -64.38 -35.5 74.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.217 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.25 -50.24 74.44 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.27 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.24 -45.7 90.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.497 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.452 ' OD1' HD13 ' A' ' 85' ' ' LEU . 54.5 t-20 -57.18 -59.83 4.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.414 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.482 ' HD1' ' O ' ' A' ' 88' ' ' ARG . 3.2 t80 -57.14 -48.18 79.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.184 -176.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 88' ' ' ARG . 36.9 ttmt -71.39 -30.83 66.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.071 -171.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -91.49 -29.21 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.672 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 HD11 HG23 ' A' ' 112' ' ' ILE . 39.5 mt -90.35 -28.4 18.74 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.825 -176.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.4 mt -110.96 -19.69 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.48 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.02 15.1 81.62 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 120.478 -0.867 . . . . 0.0 111.398 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.514 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 8.2 ttt180 -128.09 150.87 49.77 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -177.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . . . -101.45 148.74 35.63 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.749 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.79 117.91 3.06 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.834 2.356 . . . . 0.0 111.701 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -105.24 -34.49 7.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.958 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -127.39 151.31 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.13 -35.68 81.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.521 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.3 t -63.38 -30.25 71.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.778 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.44 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 46.3 mt-10 -61.74 -46.61 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.301 0.572 . . . . 0.0 109.546 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.428 HG11 HD11 ' A' ' 78' ' ' ILE . 58.7 t -65.15 -50.37 74.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.812 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.5 -44.14 92.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -61.24 -41.3 96.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.941 0.401 . . . . 0.0 110.972 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.44 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 69.1 m-70 -76.11 -28.98 57.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.519 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 91.9 mt -60.58 -40.38 91.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.247 0.546 . . . . 0.0 109.753 172.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.33 -48.84 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.424 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 111' ' ' ASP . 44.5 tp -59.35 -44.98 92.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.977 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -58.14 -55.75 30.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.152 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -76.16 -18.57 59.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -171.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -93.9 -45.46 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -105.09 -35.85 7.48 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.402 -176.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.44 164.42 9.94 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.077 -1.059 . . . . 0.0 113.109 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -58.05 -48.82 78.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -24.59 58.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.319 -174.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.36 82.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.118 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.455 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 31.3 t70 -69.0 -54.11 16.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.067 175.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.471 HG23 HD11 ' A' ' 85' ' ' LEU . 78.2 mt -52.26 -32.87 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.52 0.676 . . . . 0.0 110.776 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.26 -38.87 92.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.501 -177.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.2 p -63.22 -27.71 69.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.654 0.264 . . . . 0.0 111.699 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -68.5 -48.17 65.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.294 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.519 HG22 ' HB2' ' A' ' 56' ' ' ARG . 51.1 mm -74.61 -25.34 19.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.613 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -75.54 -19.48 59.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.502 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.9 p -61.81 108.1 1.43 Allowed Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 121.155 0.502 . . . . 0.0 111.197 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.74 -55.23 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.218 1.945 . . . . 0.0 112.685 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.3 -54.65 42.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.77 -176.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -65.38 -51.75 58.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.137 -175.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.67 HG22 ' HG3' ' A' ' 52' ' ' ARG . 88.4 m -61.45 -49.9 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.34 -28.39 67.11 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.272 -174.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.9 t -84.69 -37.06 21.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.625 0.25 . . . . 0.0 110.945 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -75.13 -38.47 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.454 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.771 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 153.0 120.88 0.84 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -91.38 -26.48 18.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.625 0.726 . . . . 0.0 109.232 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -111.45 6.83 20.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.783 173.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.771 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 60.2 t -103.27 140.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.645 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.494 ' CG2' HG13 ' A' ' 17' ' ' VAL . 94.4 t -81.91 130.58 60.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.457 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.87 93.88 0.08 OUTLIER 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.916 2.411 . . . . 0.0 112.376 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -101.37 154.33 18.89 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.551 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.4 112.71 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.315 -178.589 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo . . . . . 0 N--CA 1.463 -0.322 0 CA-C-O 120.606 0.169 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.44 121.52 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -139.93 141.67 36.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 -173.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.596 HD11 ' CD1' ' A' ' 9' ' ' TRP . 64.8 tp -98.84 113.7 25.94 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -123.08 -168.67 1.8 Allowed 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.523 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 9' ' ' TRP . . . -67.13 -6.8 19.13 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.59 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -85.25 33.48 0.55 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CD1' HD11 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -49.37 112.07 0.58 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.345 -178.377 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.4 t -144.76 173.01 12.21 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.425 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -57.13 -50.29 73.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.44 -50.59 70.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.988 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.458 ' O ' HG22 ' A' ' 17' ' ' VAL . 3.6 t70 -56.07 -59.81 4.38 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.804 -176.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 HD21 ' HG3' ' A' ' 45' ' ' ARG . 40.5 tp -60.41 -49.31 78.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.831 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -63.07 -40.41 97.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.737 -174.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.1 m -59.23 -40.42 85.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.952 0.406 . . . . 0.0 110.427 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.539 HG21 ' HB2' ' A' ' 5' ' ' LEU . 96.4 t -64.97 -52.11 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.738 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.99 -44.62 98.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.048 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -65.64 -35.85 81.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.65 -29.44 70.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.118 0.485 . . . . 0.0 110.799 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 17' ' ' VAL . 87.1 t -73.44 -37.99 52.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.914 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.207 -179.865 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 HD12 HG22 ' A' ' 58' ' ' VAL . 91.0 mt . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 121.006 0.431 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.23 -25.89 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.19 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.1 p -64.23 -48.74 74.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.236 0.541 . . . . 0.0 110.083 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.69 -40.34 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.707 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.84 -33.8 76.87 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.506 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.1 m -62.44 -44.32 96.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 0.0 110.273 174.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HB3' HG21 ' A' ' 49' ' ' ILE . 95.9 mt -57.16 -33.25 67.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 tp -84.12 -49.02 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.982 0.42 . . . . 0.0 111.405 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HG3' HD21 ' A' ' 14' ' ' LEU . 48.9 ttm-85 -70.65 -22.99 62.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.679 -173.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -94.62 -0.04 54.77 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.61 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.93 54.12 4.63 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 114.197 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -116.44 -48.72 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.199 0.499 . . . . 0.0 112.048 175.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 43' ' ' LEU . 49.1 pt -103.0 172.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.233 0.539 . . . . 0.0 112.221 -172.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.645 ' HB ' ' OD1' ' A' ' 127' ' ' ASP . 30.4 p -93.9 179.43 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.815 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.559 ' HB ' ' HA ' ' A' ' 128' ' ' TRP . 80.2 t -77.55 -38.75 26.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.864 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.522 ' HD3' HG23 ' A' ' 122' ' ' THR . 15.3 ptt180 -62.72 -30.91 71.77 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.151 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.24 -41.96 80.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.241 0.543 . . . . 0.0 109.792 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -61.92 -40.33 95.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.749 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.7 -44.27 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.506 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.61 ' HD2' ' OD1' ' A' ' 113' ' ' ASP . 16.1 ttp180 -58.28 -42.8 87.34 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.356 0.41 . . . . 0.0 111.131 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.52 -50.63 73.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.954 0.407 . . . . 0.0 110.813 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.412 HG22 HD12 ' A' ' 37' ' ' LEU . 12.1 t -73.96 -17.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.931 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.59 -11.05 49.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.185 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -114.57 10.7 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.16 0.505 . . . . 0.0 110.812 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.8 p -160.26 171.66 18.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.35 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' A' ' 64' ' ' TYR . 35.3 mm-40 65.24 176.74 0.2 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.585 0.553 . . . . 0.0 111.316 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.549 ' O ' HD21 ' A' ' 63' ' ' LEU . 5.0 tt 72.18 -19.43 0.28 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.493 0.717 . . . . 0.0 111.036 177.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 62' ' ' GLU . 37.8 m-85 81.34 -177.15 0.06 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.349 1.06 . . . . 0.0 111.693 174.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' HA ' ' HD2' ' A' ' 65' ' ' LYS . 12.2 mmmm . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 123.547 0.739 . . . . 0.0 111.662 -176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 77' ' ' VAL . 82.9 m-85 . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.561 0.22 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -65.67 -25.91 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.126 0.489 . . . . 0.0 110.849 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -60.41 -44.18 95.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.065 176.617 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -73.11 -21.21 60.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 73' ' ' PHE . 33.0 t -67.05 -29.82 47.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.445 HG21 ' HA ' ' A' ' 96' ' ' VAL . 51.1 mm -66.24 -54.04 30.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.831 175.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.71 -41.08 63.61 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.274 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.48 -59.43 4.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.129 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.869 ' HA ' ' HB3' ' A' ' 84' ' ' HIS . 56.6 m-80 -81.17 -20.91 40.23 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 90' ' ' PRO . 1.9 t80 -63.88 -41.61 97.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . 36.3 ttmt -83.11 -14.77 52.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.225 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.869 ' HB3' ' HA ' ' A' ' 81' ' ' ASN . 11.5 t-160 -84.36 -44.09 14.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.819 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.9 mt -104.28 -16.6 15.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.526 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 94.1 mt -117.81 -6.26 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 111.157 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.79 32.16 73.74 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.479 0.552 . . . . 0.0 114.479 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.744 HH21 ' HB2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -164.21 168.22 19.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.335 0.568 . . . . 0.0 111.184 177.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.91 156.96 82.2 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.27 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 32.2 Cg_exo -59.02 117.43 4.16 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.932 2.421 . . . . 0.0 111.939 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.744 ' HB2' HH21 ' A' ' 88' ' ' ARG . 15.1 t80 -86.53 -29.25 22.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.284 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 18.8 t70 -117.94 138.93 51.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.095 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -76.35 -29.16 57.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.172 -176.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 t -70.52 -27.51 64.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.416 ' HG2' ' HB3' ' A' ' 92' ' ' ASP . 33.3 mm-40 -56.25 -45.29 80.11 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.834 0.349 . . . . 0.0 110.065 172.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.445 ' HA ' HG21 ' A' ' 78' ' ' ILE . 49.0 t -59.26 -49.15 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.036 177.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.2 mt -58.77 -50.15 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.207 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -57.61 -45.35 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.474 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -73.88 -27.28 60.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.285 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 49.4 mt -68.26 -47.55 67.44 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 171.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.73 -44.88 93.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.793 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.0 tp -64.45 -49.13 72.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.542 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.442 ' HD1' ' HB2' ' A' ' 108' ' ' PHE . 24.4 t80 -56.74 -45.14 82.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.629 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.71 -52.61 56.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.749 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -80.23 -58.88 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -94.81 -9.68 33.74 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.791 -171.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.4 164.78 29.59 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.723 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.442 ' HB2' ' HD1' ' A' ' 103' ' ' TYR . 54.6 t80 -76.37 -28.68 56.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.019 0.438 . . . . 0.0 110.362 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -58.03 -44.78 87.53 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.968 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.32 -35.54 73.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.632 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.53 -45.41 91.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.155 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 40.3 mm -57.21 -43.76 82.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.61 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 78.3 m-20 -59.46 -32.4 70.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -62.08 -43.08 99.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.673 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -61.68 -48.08 82.41 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.257 0.551 . . . . 0.0 110.646 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.56 HG13 ' HB2' ' A' ' 56' ' ' ARG . 42.1 mm -71.64 -25.19 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.391 -174.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -79.62 -30.59 41.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.228 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.0 m -55.02 107.35 0.85 Allowed Pre-proline 0 CA--C 1.533 0.304 0 O-C-N 123.455 0.472 . . . . 0.0 112.067 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.33 -43.25 11.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.058 2.506 . . . . 0.0 113.024 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -51.98 -56.28 15.22 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 111.15 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -75.15 -38.02 61.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.437 -173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.522 HG23 ' HD3' ' A' ' 52' ' ' ARG . 88.3 m -66.43 -42.37 87.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.836 0.35 . . . . 0.0 111.194 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.89 -29.25 60.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.653 0.263 . . . . 0.0 111.392 -176.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.6 p -78.94 -37.74 38.93 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.262 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -84.71 -39.75 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.044 -0.263 . . . . 0.0 110.958 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.4 126.03 3.43 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.192 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.645 ' OD1' ' HB ' ' A' ' 50' ' ' THR . 15.6 t0 -64.05 -45.04 90.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.556 0.693 . . . . 0.0 110.353 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.559 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 79.8 m95 -94.19 17.59 12.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.89 -171.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.43 134.73 42.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.802 0.335 . . . . 0.0 110.852 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 77.5 t -77.33 125.67 86.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.937 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -43.69 125.13 4.8 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 124.136 3.224 . . . . 0.0 114.843 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.491 ' HD1' ' O ' ' A' ' 133' ' ' TYR . 3.3 p90 -122.93 166.93 14.25 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 169.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.491 ' O ' ' HD1' ' A' ' 132' ' ' TYR . 41.7 t80 -67.12 137.02 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 . . . . . 0 N--CA 1.471 0.619 0 C-N-CA 123.84 0.856 . . . . 0.0 109.946 -172.01 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo . . . . . 0 C--O 1.233 0.255 0 CA-C-O 120.728 0.22 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.71 117.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.392 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -140.46 158.85 43.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 tp -93.95 103.03 15.14 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -92.02 165.19 13.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.622 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.84 51.58 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.963 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.1 t30 173.72 74.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -121.08 156.62 31.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.702 -174.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -122.61 -178.79 4.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.158 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.98 -38.87 80.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 111.008 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.06 -44.66 95.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.371 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -64.36 -45.34 88.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.293 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.633 ' O ' HG12 ' A' ' 18' ' ' ILE . 36.0 tp -63.87 -44.57 92.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.669 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.21 -36.97 76.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.074 0.464 . . . . 0.0 110.365 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.5 m -60.38 -39.9 88.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.095 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.8 t -68.25 -42.52 84.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.259 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 14' ' ' LEU . 40.5 mm -54.4 -59.03 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.228 0.537 . . . . 0.0 110.519 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -69.39 -23.05 63.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.977 -175.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.61 67.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.944 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.36 -40.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.534 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.466 ' HH ' HD13 ' A' ' 37' ' ' LEU . 32.2 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.044 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 HD13 ' HH ' ' A' ' 22' ' ' TYR . 6.9 mp . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 121.05 0.452 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.45 -32.99 56.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.815 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.542 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 18.1 p -58.33 -57.57 12.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.401 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.35 98.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.459 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -59.49 -53.77 54.34 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.939 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 p -61.69 -38.77 89.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 111.324 -176.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 39' ' ' SER . 98.8 mt -63.98 -35.95 82.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.076 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.1 tp -82.92 -34.61 26.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.195 0.521 . . . . 0.0 110.437 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.412 ' HG3' ' CD2' ' A' ' 14' ' ' LEU . 34.9 ttt180 -68.58 -23.23 64.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.588 -175.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -98.57 -8.25 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.069 0.461 . . . . 0.0 110.043 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.17 33.74 28.28 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.915 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HD3' HD22 ' A' ' 43' ' ' LEU . 58.1 tttp -87.61 -39.75 14.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.912 0.387 . . . . 0.0 110.471 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.7 pt -111.46 176.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.267 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -177.88 3.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG13 HG22 ' A' ' 55' ' ' VAL . 42.6 t -69.33 -26.83 32.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.76 -51.85 53.2 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.057 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -68.88 -41.02 78.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.653 0.263 . . . . 0.0 110.612 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.96 -47.74 85.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.236 -176.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.473 HG22 HG13 ' A' ' 51' ' ' VAL . 88.1 t -60.89 -47.16 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.481 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.498 ' HG3' HG13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.52 -42.52 92.42 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.101 0.477 . . . . 0.0 110.345 178.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -55.17 33.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.081 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.41 -36.63 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.07 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.72 71.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 49.3 mttp -94.47 -26.95 16.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.433 177.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 37' ' ' LEU . 34.2 m 51.36 -112.03 0.6 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -164.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -173.46 104.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.149 0.5 . . . . 0.0 110.247 168.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.8 tp 57.41 25.4 11.29 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.29 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.18 32.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.651 0.738 . . . . 0.0 109.866 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.0 pttt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.531 -175.279 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--O 1.233 0.221 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.495 ' O ' HG13 ' A' ' 78' ' ' ILE . 84.7 mm-40 -57.58 -37.42 73.13 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.333 0.396 . . . . 0.0 111.935 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 p -62.18 -39.39 92.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.971 0.415 . . . . 0.0 110.84 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -37.17 86.3 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.576 177.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.407 ' HA ' HD12 ' A' ' 80' ' ' LEU . 54.0 t -68.19 -38.67 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.536 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 74' ' ' GLN . 76.3 mt -60.08 -39.44 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.278 0.561 . . . . 0.0 110.274 176.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -63.02 -40.09 96.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.305 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 77' ' ' VAL . 92.6 mt -66.52 -59.27 3.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.865 -178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.449 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 31.3 p30 -64.32 -38.38 90.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -171.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -80.82 -24.85 38.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.457 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 34.0 ttmt -75.23 -15.11 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 173.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -95.02 -25.28 16.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.928 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.503 HD12 HG23 ' A' ' 112' ' ' ILE . 95.1 mt -94.82 -50.75 5.0 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.914 0.388 . . . . 0.0 111.796 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.1 mt -97.83 -18.09 18.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.16 0.505 . . . . 0.0 110.072 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 83' ' ' LYS . . . 80.37 22.25 63.04 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.371 -175.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.41 ' N ' ' HA ' ' A' ' 83' ' ' LYS . 42.4 ttm180 -152.68 145.75 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.554 0.216 . . . . 0.0 110.48 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.4 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -74.43 160.18 81.84 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.476 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 6.9 Cg_endo -50.02 149.64 11.32 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.148 2.565 . . . . 0.0 112.374 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -107.03 -39.52 5.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.763 -171.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.585 ' O ' HG22 ' A' ' 96' ' ' VAL . 28.8 t70 -127.55 143.8 51.14 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.875 -174.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.534 ' O ' HG12 ' A' ' 97' ' ' ILE . 40.6 tt0 -63.01 -37.0 85.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.627 -176.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 m -65.91 -38.87 89.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.759 0.314 . . . . 0.0 110.974 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 1.6 pp20? -75.43 -29.36 59.68 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.278 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.593 ' HA ' ' HD2' ' A' ' 99' ' ' HIS . 89.6 t -60.13 -44.6 95.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.937 0.399 . . . . 0.0 109.994 172.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 93' ' ' GLU . 51.6 mm -59.23 -36.99 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.344 177.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' A' ' 95' ' ' GLU . 84.6 t80 -58.96 -41.35 87.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.909 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.593 ' HD2' ' HA ' ' A' ' 96' ' ' VAL . 82.8 m-70 -65.25 -42.64 93.08 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.229 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.98 -42.89 99.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.371 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.25 -46.78 85.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.036 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 111' ' ' ASP . 25.7 tp -66.11 -35.27 80.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.516 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.39 -39.95 95.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.807 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -83.4 -17.98 40.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.351 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -82.82 -58.21 2.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.655 0.264 . . . . 0.0 111.15 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -114.02 -37.06 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.418 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 128.93 -179.4 16.68 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.206 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -71.1 -21.54 62.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.152 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.559 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -58.71 -53.99 52.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.634 175.472 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.05 98.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.509 ' HA ' HD21 ' A' ' 102' ' ' LEU . 38.7 t70 -64.29 -34.31 77.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.956 0.407 . . . . 0.0 110.88 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 85' ' ' LEU . 76.8 mt -75.69 -31.2 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.958 0.408 . . . . 0.0 110.642 174.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -69.94 -21.62 63.25 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.471 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.4 p -58.36 -34.76 71.02 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.055 0.455 . . . . 0.0 110.928 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -64.22 -30.46 71.51 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.937 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.498 HG13 ' HG3' ' A' ' 56' ' ' ARG . 45.7 mm -92.2 -22.32 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.376 0.608 . . . . 0.0 110.078 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.489 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 22.7 t70 -75.24 -26.82 59.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.901 -177.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.5 m -84.63 97.41 0.49 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.281 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 17.9 Cg_endo -58.83 -48.45 14.58 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.901 2.401 . . . . 0.0 113.286 -167.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.62 -49.54 76.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.104 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -65.85 -47.29 75.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.456 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.7 m -61.7 -55.2 32.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.438 . . . . 0.0 111.238 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.662 ' HA ' ' HB2' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -64.37 -28.12 69.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.255 -172.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.5 m -65.78 -52.2 52.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.512 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 20.7 p90 -128.86 -12.91 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.514 -0.874 . . . . 0.0 113.22 -172.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -122.93 29.28 5.41 Favored Glycine 0 C--O 1.229 -0.166 0 C-N-CA 119.797 -1.192 . . . . 0.0 113.63 -174.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.662 ' HB2' ' HA ' ' A' ' 123' ' ' ASN . 22.9 t70 -101.34 -50.23 3.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.998 0.428 . . . . 0.0 110.289 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -111.27 -18.22 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.026 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 125' ' ' PHE . 25.8 t -104.0 148.38 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.259 -175.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 97.1 t -85.8 122.16 73.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.374 177.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.49 ' HB3' ' HE2' ' A' ' 125' ' ' PHE . 17.4 Cg_exo -66.76 114.72 3.24 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.875 2.384 . . . . 0.0 112.227 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -109.11 160.4 16.1 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.417 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 42.9 p90 -61.71 127.45 31.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.782 0.801 . . . . 0.0 111.827 -174.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.322 179.185 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 0 N--CA 1.451 -1.009 0 N-CA-C 111.488 -0.236 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.53 99.22 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -139.24 138.74 37.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.603 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.7 tp -84.2 124.47 31.21 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -79.08 150.57 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.32 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.83 -50.29 73.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.316 0.579 . . . . 0.0 109.58 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.32 81.14 4.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -87.49 156.15 19.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.43 0.633 . . . . 0.0 111.425 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.431 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 2.9 m -116.93 169.13 9.63 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.076 176.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.34 -47.45 75.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.369 . . . . 0.0 110.664 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.76 -34.24 77.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.431 ' HB3' ' H ' ' A' ' 10' ' ' SER . 38.9 t70 -66.45 -51.6 55.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.978 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.67 -42.15 87.82 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.39 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.59 -46.51 83.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.7 m -56.85 -43.64 81.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' HG21 ' A' ' 21' ' ' VAL . 62.9 t -64.38 -58.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.241 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.14 -35.12 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.964 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -68.14 -38.16 81.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.639 0.257 . . . . 0.0 110.7 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.62 76.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.191 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 17' ' ' VAL . 86.3 t -65.66 -42.43 92.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.054 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.931 0.396 . . . . 0.0 111.262 -179.724 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 121.022 0.439 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.21 -28.25 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.104 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.64 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 4.4 p -63.65 -51.56 64.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.561 176.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.38 95.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.713 -176.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -26.93 65.29 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.989 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.8 m -76.74 -41.0 46.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.28 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 39' ' ' SER . 86.1 mt -62.11 -39.13 91.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.693 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.28 -41.86 93.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.223 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.49 -41.91 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -79.14 -3.48 45.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.24 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.4 27.04 73.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.332 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HD2' HD22 ' A' ' 43' ' ' LEU . 23.6 ttmm -87.83 -29.95 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.166 0.507 . . . . 0.0 110.212 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.9 pt -124.12 158.36 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.532 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.614 ' HB ' ' OD2' ' A' ' 127' ' ' ASP . 15.0 p -91.19 179.19 5.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.646 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.588 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 81.1 t -72.69 -33.2 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.666 ' HG3' HD12 ' A' ' 116' ' ' ILE . 3.4 tpp180 -64.86 -35.65 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' CD ' HH21 ' A' ' 56' ' ' ARG . 5.2 mm-40 -66.24 -40.67 90.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.809 177.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.482 ' O ' HG22 ' A' ' 58' ' ' VAL . 76.0 t80 -59.92 -44.32 94.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.054 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 51' ' ' VAL . 90.8 t -62.57 -43.08 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.625 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.62 ' HD3' HG13 ' A' ' 116' ' ' ILE . 10.0 ttp180 -60.45 -42.73 96.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.775 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.98 98.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.382 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 54' ' ' PHE . 83.8 t -68.99 -44.28 81.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.972 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 112' ' ' ILE . . . -67.12 -43.69 81.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -174.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . 18.2 ptpt -92.71 8.36 39.58 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.6 p -84.49 -81.03 0.19 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.97 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.91 101.4 3.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.5 0.667 . . . . 0.0 111.579 -177.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.9 mt -110.63 -29.54 7.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.435 172.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 60.93 -161.2 0.29 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.991 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 120.986 0.422 . . . . 0.0 110.587 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.638 0.256 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -59.55 -29.87 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.957 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 p -60.59 -37.83 82.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.498 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 14.3 ttm180 -83.84 -23.72 31.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.691 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.56 -45.45 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.455 HD12 ' HB2' ' A' ' 99' ' ' HIS . 58.4 mt -63.61 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.25 174.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.27 -43.5 78.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.674 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 96.2 mt -65.39 -43.01 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.654 ' HB3' ' HE2' ' A' ' 115' ' ' TYR . 97.4 m-20 -59.05 -54.62 45.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.882 0.372 . . . . 0.0 110.659 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.85 -42.73 85.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.365 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 88' ' ' ARG . 43.6 tttm -77.95 -32.24 51.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.941 -171.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.66 -34.1 12.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.8 mt -91.16 -34.47 15.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.64 0.257 . . . . 0.0 111.677 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.1 mt -108.73 -6.66 15.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.689 0.281 . . . . 0.0 110.94 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.575 ' O ' ' HA ' ' A' ' 133' ' ' TYR . . . 60.06 50.1 71.33 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.661 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 13.6 ptp180 -167.19 174.79 7.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.748 0.309 . . . . 0.0 110.762 -176.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.36 159.05 30.57 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.77 132.56 46.98 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.397 2.065 . . . . 0.0 111.554 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -68.56 -48.03 65.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.108 0.48 . . . . 0.0 110.816 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 95' ' ' GLU . 10.5 t70 -132.68 154.72 49.87 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -75.69 -25.27 56.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.821 0.343 . . . . 0.0 110.119 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.7 m -63.61 -31.14 72.22 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 13.1 mm-40 -58.2 -50.46 73.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.987 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.558 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 61.9 t -56.21 -44.28 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.384 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 100' ' ' LEU . 48.2 mm -58.42 -46.51 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -62.52 -42.79 99.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.455 ' HB2' HD12 ' A' ' 78' ' ' ILE . 83.5 m-70 -66.62 -27.7 67.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.12 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 96.1 mt -61.25 -48.79 79.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.189 0.518 . . . . 0.0 109.646 173.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.56 -40.25 92.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.496 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.511 HD22 ' OG ' ' A' ' 114' ' ' SER . 40.7 tp -59.22 -43.97 92.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.5 -41.79 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.754 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -70.89 -35.82 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.412 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.33 -57.98 3.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -100.21 -36.52 9.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.883 0.373 . . . . 0.0 111.946 -169.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.29 175.21 14.72 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.307 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -73.99 -34.97 64.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.142 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.566 ' HB2' ' HB2' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -74.71 -26.17 59.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.053 0.454 . . . . 0.0 110.004 -177.296 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.3 -34.73 36.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.594 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -58.38 -42.06 86.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.364 0.602 . . . . 0.0 109.501 175.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.454 HD11 ' HB1' ' A' ' 59' ' ' ALA . 86.9 mt -66.37 -40.27 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.871 175.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.612 ' OD2' ' HD2' ' A' ' 56' ' ' ARG . 10.9 t70 -61.57 -32.35 72.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.284 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.511 ' OG ' HD22 ' A' ' 102' ' ' LEU . 12.1 m -61.31 -30.0 70.22 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.507 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.654 ' HE2' ' HB3' ' A' ' 81' ' ' ASN . 11.2 m-85 -69.12 -32.54 72.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 109.81 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.666 HD12 ' HG3' ' A' ' 52' ' ' ARG . 17.1 mm -82.56 -27.96 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.52 -176.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.435 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 28.3 t70 -74.87 -16.35 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.617 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -77.15 105.42 2.47 Favored Pre-proline 0 C--O 1.24 0.58 0 CA-C-O 121.345 0.593 . . . . 0.0 110.547 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 43.2 Cg_endo -69.01 -55.55 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.82 2.347 . . . . 0.0 113.546 -170.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.45 -40.01 92.93 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.976 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -62.52 -38.69 90.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.426 HG21 ' HE ' ' A' ' 52' ' ' ARG . 96.6 m -72.65 -41.84 65.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.865 0.365 . . . . 0.0 110.941 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.81 -52.64 23.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.056 -175.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.8 t -69.84 -17.32 63.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.597 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.719 ' HZ ' ' H ' ' A' ' 132' ' ' TYR . 47.4 t80 -89.49 -31.72 17.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.028 0.442 . . . . 0.0 110.586 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 100.48 109.18 3.1 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -175.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.614 ' OD2' ' HB ' ' A' ' 50' ' ' THR . 21.0 t70 -59.93 -37.38 79.34 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.47 ' HA ' HG21 ' A' ' 51' ' ' VAL . 48.2 m95 -79.03 -4.91 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.439 -171.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.02 123.28 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.888 0.375 . . . . 0.0 110.538 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.499 HG12 ' HD2' ' A' ' 131' ' ' PRO . 88.0 t -69.95 136.41 87.39 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.499 ' HD2' HG12 ' A' ' 130' ' ' VAL . 84.3 Cg_exo -20.3 95.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 1 C-N-CA 125.631 4.22 . . . . 0.0 114.794 -174.642 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.719 ' H ' ' HZ ' ' A' ' 125' ' ' PHE . 26.2 t80 -93.18 130.32 38.9 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.428 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.575 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 60.7 m-85 -78.7 98.89 6.39 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.419 0.628 . . . . 0.0 111.671 -176.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.62 173.308 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo . . . . . 0 C--O 1.233 0.265 0 CA-C-O 120.953 0.314 . . . . 0.0 112.185 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.508 HG13 HG22 ' A' ' 17' ' ' VAL . 38.7 t -81.2 123.53 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.667 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -100.05 158.38 15.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.116 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 tp -114.31 100.67 8.51 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 6' ' ' ARG . 6.2 ptp85 -84.95 157.54 20.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.972 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.35 -33.28 75.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -104.34 87.46 2.74 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 172.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -103.54 164.29 11.76 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.366 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -102.38 155.11 18.46 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 170.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 32.8 tt0 -58.27 -45.07 88.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.539 0.209 . . . . 0.0 110.886 -175.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -59.94 -46.83 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.164 0.507 . . . . 0.0 110.599 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.92 -38.27 90.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.298 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 45' ' ' ARG . 40.3 tp -60.93 -47.36 86.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.89 176.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 43.4 mt-10 -66.1 -28.17 68.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.444 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.7 m -62.25 -38.88 90.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.045 0.45 . . . . 0.0 109.817 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.508 HG22 HG13 ' A' ' 3' ' ' VAL . 58.9 t -65.64 -51.32 64.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.307 176.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.99 -46.79 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.074 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 58.9 ttp180 -68.66 -23.77 64.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.223 -177.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.41 66.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.252 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.03 -48.32 25.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.556 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 1.7 p90 . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 58' ' ' VAL . 80.5 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.631 0.253 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.49 -40.14 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.295 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.471 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 50.4 m -68.22 -35.63 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.913 0.387 . . . . 0.0 110.403 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.67 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.219 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.1 -45.14 94.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.485 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m -59.87 -40.08 87.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.606 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 39' ' ' SER . 85.9 mt -63.23 -34.81 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.641 0.257 . . . . 0.0 110.957 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.2 tp -71.86 -38.83 70.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.049 0.452 . . . . 0.0 109.808 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HA ' HD21 ' A' ' 14' ' ' LEU . 3.8 tmt_? -64.97 -34.55 78.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.979 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -78.09 -4.41 47.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.601 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.53 32.78 79.63 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 121.266 -0.492 . . . . 0.0 112.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD2' HD22 ' A' ' 43' ' ' LEU . 24.0 ttmm -93.11 -44.17 8.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.61 0.243 . . . . 0.0 111.019 -176.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.7 pt -98.19 176.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.728 0.299 . . . . 0.0 111.295 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.1 p -98.72 171.93 7.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.315 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.93 -41.32 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HE ' HG21 ' A' ' 122' ' ' THR . 1.0 OUTLIER -54.76 -44.27 73.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.525 175.466 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.8 -44.68 95.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.779 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 61.2 t80 -61.57 -45.42 94.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.357 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.39 -42.29 87.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.524 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HG3' HD11 ' A' ' 116' ' ' ILE . 35.4 ttp85 -56.08 -50.93 69.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.886 0.374 . . . . 0.0 110.872 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.31 92.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.357 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.488 HG22 HD12 ' A' ' 37' ' ' LEU . 42.1 t -73.03 -37.71 54.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.231 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.46 -23.17 64.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.463 ' HA ' HD11 ' A' ' 112' ' ' ILE . 77.4 mttt -93.53 15.6 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.5 p -96.1 149.15 21.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.31 82.13 6.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.133 0.492 . . . . 0.0 110.9 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 64' ' ' TYR . 38.2 tp -82.67 111.42 18.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.815 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 82.4 m-85 72.39 -60.9 0.51 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.883 0.739 . . . . 0.0 110.953 -176.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 tptt . . . . . 0 C--N 1.321 -0.672 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--O 1.232 0.182 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.44 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 7.0 tp60 -65.8 -25.6 67.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.017 -176.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.407 ' HA ' HD11 ' A' ' 78' ' ' ILE . 37.1 p -57.89 -29.51 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 27.4 ttm180 -66.99 -37.54 84.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.626 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.57 -32.5 58.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.415 0.626 . . . . 0.0 109.705 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 64.2 mt -66.66 -42.52 89.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.243 175.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.16 -37.57 85.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.593 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.9 mt -62.39 -38.67 90.54 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.419 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 8.4 m-80 -55.67 -57.09 13.41 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.385 0.612 . . . . 0.0 110.529 174.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 8.0 m-85 -65.1 -34.76 79.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.959 -173.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 133' ' ' TYR . 87.3 tttt -75.11 -51.06 14.39 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.63 -177.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -91.89 -24.26 19.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -169.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.8 mt -101.25 -47.1 4.83 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.475 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.9 -26.09 24.1 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.193 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.588 ' HA2' ' HA ' ' A' ' 133' ' ' TYR . . . 76.93 27.01 61.2 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.421 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.518 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 35.6 tpt85 -158.32 133.27 8.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.586 0.193 . . . . 0.0 110.653 -176.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.24 152.86 87.4 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.713 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.41 150.31 42.51 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.255 2.637 . . . . 0.0 113.315 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.456 ' OH ' ' HG2' ' A' ' 88' ' ' ARG . 95.7 m-85 -99.09 -59.9 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 -177.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -130.45 -165.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.15 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -87.23 -32.69 19.63 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -172.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.2 p -62.67 -34.35 76.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 111.558 -171.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.412 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . 9.3 pt-20 -66.31 -38.17 87.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.604 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.69 -48.71 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.833 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.79 -41.99 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.577 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -54.52 -50.88 66.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.34 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.408 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 41.5 m-70 -68.57 -30.43 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.219 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.51 -51.92 56.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.131 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.4 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.32 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.46 -41.79 99.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.744 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -70.56 -32.67 70.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.29 -45.51 69.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.707 0.289 . . . . 0.0 110.787 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -83.02 -57.74 3.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -174.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -102.44 -33.33 9.57 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.739 -173.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.09 -172.46 15.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.392 174.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.544 ' O ' HG13 ' A' ' 112' ' ' ILE . 50.1 p90 -70.07 -19.96 63.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.583 -0.309 . . . . 0.0 111.567 -175.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.07 -48.28 76.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.029 0.442 . . . . 0.0 110.041 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.0 64.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.309 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.8 -33.51 68.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.311 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 108' ' ' PHE . 62.9 mt -74.56 -42.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.473 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.52 ' HA ' HD12 ' A' ' 116' ' ' ILE . 1.1 m-20 -63.44 -18.55 63.86 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.348 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -50.06 -39.38 41.93 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.02 0.438 . . . . 0.0 111.403 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -77.17 -30.46 54.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.362 0.601 . . . . 0.0 110.714 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 113' ' ' ASP . 14.6 mt -83.87 -15.95 11.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.017 -172.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -93.95 -3.39 51.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.01 0.434 . . . . 0.0 111.084 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -107.95 89.99 6.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.863 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.17 -46.43 8.01 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.816 2.344 . . . . 0.0 112.536 -175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -58.21 -47.56 83.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.55 -44.35 96.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.455 HG21 ' HE ' ' A' ' 52' ' ' ARG . 24.7 m -64.13 -43.83 94.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.637 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.432 ' HA ' ' OD1' ' A' ' 127' ' ' ASP . 2.6 t-20 -64.16 -38.73 92.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -176.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.0 m -75.39 -40.43 57.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 111.022 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 64.2 t80 -74.99 -38.56 61.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.477 -174.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.53 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 144.7 78.41 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.496 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 123' ' ' ASN . 5.1 p-10 -68.87 -17.27 63.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -127.23 27.56 5.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.117 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.53 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 58.0 t -131.24 147.67 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.116 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 67.7 t -71.19 126.25 91.94 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 120.596 0.236 . . . . 0.0 110.575 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.437 ' HA ' ' CE2' ' A' ' 125' ' ' PHE . 50.5 Cg_exo -55.25 126.93 24.2 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.34 2.694 . . . . 0.0 113.095 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -131.95 140.91 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.765 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.588 ' HA ' ' HA2' ' A' ' 87' ' ' GLY . 4.2 p90 -83.27 108.61 16.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.086 0.469 . . . . 0.0 112.017 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.1 ttp85 . . . . . 0 N--CA 1.465 0.306 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.92 176.123 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo . . . . . 0 C--O 1.234 0.29 0 CA-C-O 120.958 0.316 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 t -74.84 106.37 4.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -112.66 149.76 32.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.906 -175.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.6 tp -104.68 100.14 9.8 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 168.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -90.83 170.61 9.95 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.272 -174.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.56 78.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.955 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -108.55 76.08 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.13 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -93.47 165.2 12.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.977 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.3 m -123.41 167.91 13.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.13 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 15.2 mm-40 -58.51 -53.34 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.561 0.219 . . . . 0.0 111.124 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.56 -31.12 71.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.412 0.625 . . . . 0.0 110.751 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.484 ' O ' HG22 ' A' ' 17' ' ' VAL . 30.5 t70 -72.36 -38.55 68.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.517 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.3 tp -64.12 -41.63 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.262 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 18.0 mm-40 -55.35 -42.9 74.5 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.354 0.597 . . . . 0.0 109.718 173.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 m -63.18 -43.78 97.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.892 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 13' ' ' ASP . 86.2 t -62.63 -52.25 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.443 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 pt -64.83 -36.21 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.589 -175.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 69.3 mtp180 -76.13 -27.29 56.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.736 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.47 70.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.116 0.484 . . . . 0.0 110.051 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -75.45 -41.66 42.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.166 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CD1' HG12 ' A' ' 58' ' ' VAL . 25.1 p90 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.24 0.543 . . . . 0.0 111.451 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 58' ' ' VAL . 66.9 mt . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.791 0.329 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.69 -28.9 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.14 174.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 13.1 m -68.5 -34.64 76.24 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.988 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.9 -36.92 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.642 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.93 -49.07 79.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.65 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.3 p -66.26 -39.06 89.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.217 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 39' ' ' SER . 67.9 mt -61.17 -40.25 93.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.649 0.261 . . . . 0.0 111.085 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.9 tp -74.46 -45.1 48.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.007 0.432 . . . . 0.0 110.55 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -63.44 -34.56 78.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.177 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.521 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 7.8 t-20 -80.81 -12.7 59.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 110.301 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.2 28.14 56.58 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.733 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.521 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 41.1 mtpt -89.11 -26.41 21.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.945 0.402 . . . . 0.0 110.365 -178.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 pp -129.89 165.61 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.3 p -96.23 173.83 7.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' ' 55' ' ' VAL . 48.4 t -61.42 -28.81 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.072 0.463 . . . . 0.0 109.956 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.687 ' HG2' HG22 ' A' ' 122' ' ' THR . 1.9 tmm_? -57.19 -48.51 78.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.357 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.09 -39.76 86.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.64 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.68 -45.68 93.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.796 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 51' ' ' VAL . 84.0 t -61.15 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.517 ' HD2' HG23 ' A' ' 116' ' ' ILE . 20.5 ttt180 -60.31 -45.06 94.72 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.736 0.303 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.13 -55.0 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.899 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 37' ' ' LEU . 35.0 t -69.81 -28.96 38.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.092 -177.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.94 75.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.116 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -101.98 13.92 33.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.11 0.481 . . . . 0.0 111.342 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.438 ' OG ' HD22 ' A' ' 37' ' ' LEU . 73.8 m -99.23 -47.42 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.192 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -121.67 -172.56 2.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.177 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mp 66.53 23.99 10.35 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.642 0.589 . . . . 0.0 111.063 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -90.07 -20.74 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.867 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 tptm . . . . . 0 C--N 1.331 -0.199 0 CA-C-O 120.419 0.152 . . . . 0.0 110.723 -179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.216 0.531 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 78' ' ' ILE . 11.5 mm100 -66.47 -25.97 66.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.763 -177.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -61.3 -32.97 72.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.825 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.54 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 10.2 mmt180 -74.1 -27.65 60.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.342 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.4 -37.85 76.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 175.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 74' ' ' GLN . 43.2 mm -60.69 -44.09 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.707 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.9 -39.64 92.69 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.438 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 92.5 mt -59.81 -50.7 72.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.54 -44.6 90.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.534 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 2.3 m-85 -57.65 -48.61 79.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.041 0.448 . . . . 0.0 111.428 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -70.21 -34.5 72.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.108 -175.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -86.14 -33.77 20.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.7 mt -99.76 -39.05 8.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -173.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.4 mt -110.36 -12.5 14.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.62 -175.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.05 28.06 73.5 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.639 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.534 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 13.2 ptm180 -140.42 153.01 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.759 0.314 . . . . 0.0 110.435 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.83 155.82 38.82 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.682 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.73 121.29 7.77 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.914 2.409 . . . . 0.0 112.222 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -83.36 -42.84 16.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.879 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -133.23 157.82 44.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.423 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.0 -33.47 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.342 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -57.83 -40.55 80.28 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.762 -177.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.46 ' HB3' ' OH ' ' A' ' 82' ' ' TYR . 32.1 mt-10 -60.07 -42.51 94.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.209 0.528 . . . . 0.0 110.5 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.5 t -68.75 -52.7 32.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.695 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.14 -40.54 83.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.457 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.47 -54.51 46.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.837 0.351 . . . . 0.0 111.107 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -67.36 -35.1 78.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.905 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.87 -52.46 65.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.037 0.446 . . . . 0.0 110.429 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.1 -43.42 95.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.748 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.5 -50.33 71.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.023 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.18 -49.72 73.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.444 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.75 -34.1 76.16 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -83.36 -58.2 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.993 -177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -91.95 -36.27 13.53 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.517 -0.473 . . . . 0.0 112.16 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.37 176.9 14.6 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 119.955 -1.117 . . . . 0.0 113.598 174.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -64.17 -38.95 92.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.149 -0.526 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.77 -38.48 81.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.394 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.78 74.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.379 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.08 -50.25 72.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.376 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 43.2 mm -56.22 -41.22 69.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.78 -36.4 69.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.187 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.2 m -57.69 -37.47 73.51 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.454 ' HE1' ' CE1' ' A' ' 82' ' ' TYR . 50.6 m-85 -78.82 -26.75 44.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.192 0.52 . . . . 0.0 110.746 -175.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.517 HG23 ' HD2' ' A' ' 56' ' ' ARG . 37.1 mm -93.02 -20.28 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.552 -176.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -85.39 5.64 30.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.328 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 12.7 p -106.01 89.03 3.39 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 172.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.23 -51.02 10.33 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.219 2.613 . . . . 0.0 113.692 -171.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.675 ' HA ' ' OD1' ' A' ' 123' ' ' ASN . 36.0 tt0 -70.12 -37.82 75.41 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.837 -173.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -62.15 -28.08 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.737 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.687 HG22 ' HG2' ' A' ' 52' ' ' ARG . 25.5 m -83.3 -56.08 3.97 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.147 177.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.86 ' HA ' ' HB3' ' A' ' 127' ' ' ASP . 1.8 p-10 -71.02 -26.28 63.04 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -170.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.4 t -85.95 -4.28 59.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.667 0.27 . . . . 0.0 111.153 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -116.36 -39.42 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -176.08 81.06 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.68 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.86 ' HB3' ' HA ' ' A' ' 123' ' ' ASN . 22.9 p-10 -80.92 -42.14 21.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.259 0.552 . . . . 0.0 110.218 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -115.1 16.44 17.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.794 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.7 t -122.63 136.96 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.842 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.14 128.2 92.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.3 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -44.73 113.35 0.46 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.844 3.029 . . . . 0.0 112.996 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -108.53 170.89 7.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.026 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.408 ' O ' ' HG2' ' A' ' 134' ' ' ARG . 4.1 t80 -83.07 114.98 21.67 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.831 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 133' ' ' TYR . 9.2 ptp85 . . . . . 0 N--CA 1.475 0.801 0 O-C-N 124.425 1.078 . . . . 0.0 112.054 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 N--CA 1.458 -0.582 0 CA-C-O 120.771 0.238 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.0 t -82.6 99.35 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 8.9 pt-20 -115.68 145.84 42.38 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 -173.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 tp -85.73 100.06 11.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 173.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -76.37 150.49 36.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.387 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.52 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.4 . . . . 0.0 111.228 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -102.71 87.3 2.94 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -112.82 163.66 14.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.271 0.557 . . . . 0.0 111.379 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 t -133.9 -179.29 5.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.346 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.32 -46.17 76.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.719 0.295 . . . . 0.0 111.544 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.41 -44.77 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.133 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.5 -48.81 78.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.312 0.577 . . . . 0.0 109.901 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.8 tp -62.8 -41.15 99.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.009 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.4 -41.59 98.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.997 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.6 m -59.84 -41.72 92.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.334 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.9 t -59.03 -45.95 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.335 175.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 14' ' ' LEU . 87.1 mt -59.61 -49.58 83.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.288 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -65.55 -31.85 73.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.969 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.44 -40.58 93.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.471 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.4 -47.46 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.199 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 p90 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.835 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 N--CA 1.461 0.076 0 CA-C-O 121.344 0.592 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.26 -40.36 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.762 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.442 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 19.5 m -66.26 -49.46 67.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.664 0.269 . . . . 0.0 110.525 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.18 94.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.52 ' OE2' ' HD2' ' A' ' 45' ' ' ARG . 7.2 tm-20 -61.79 -48.84 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -62.81 -40.22 96.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 39' ' ' SER . 77.9 mt -62.91 -43.0 99.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.514 0.197 . . . . 0.0 111.461 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.7 tp -73.82 -37.59 64.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.003 0.43 . . . . 0.0 110.21 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.52 ' HD2' ' OE2' ' A' ' 41' ' ' GLU . 37.1 ttt180 -63.23 -36.07 82.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.353 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -81.03 -13.34 58.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.595 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.85 22.08 75.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.299 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -81.08 -30.5 34.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.793 0.33 . . . . 0.0 110.567 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.753 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 49.9 pt -118.41 167.54 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.722 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 p -93.04 178.11 5.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.956 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 67.8 t -67.74 -29.9 46.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.714 ' HG3' HG22 ' A' ' 122' ' ' THR . 34.1 ttp180 -56.3 -48.95 75.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.927 173.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.753 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 7.7 mm-40 -72.16 -26.29 62.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.074 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -67.33 -52.68 37.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.1 -40.29 76.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.978 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.511 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 22.1 ttt180 -47.9 -54.52 12.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.312 174.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.82 69.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.83 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.75 -44.18 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.125 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.516 ' HB1' HD11 ' A' ' 112' ' ' ILE . . . -76.72 -40.12 49.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.616 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -83.28 17.12 2.18 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.783 0.325 . . . . 0.0 111.723 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.7 p -75.04 -167.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.066 0.46 . . . . 0.0 110.058 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -84.72 -7.18 59.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.353 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.7 mt 64.72 169.17 0.18 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.611 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -80.67 -35.34 33.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.946 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 N--CA 1.468 0.439 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.847 176.138 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 120.576 0.227 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.881 HE21 ' HA ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -62.35 -26.07 68.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.038 0.447 . . . . 0.0 110.348 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 p -67.03 -25.05 66.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.039 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 3.3 tpt180 -73.39 -26.93 61.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.087 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.45 -38.78 82.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.275 0.56 . . . . 0.0 109.644 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.1 mt -65.13 -40.72 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.026 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.27 -37.35 80.2 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.194 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 98.1 mt -57.91 -52.92 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -64.38 -48.51 75.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 110.341 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -55.87 25.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.805 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.418 ' HG3' ' HE1' ' A' ' 133' ' ' TYR . 87.3 tttt -71.82 -37.89 70.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.17 -172.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -88.68 -21.99 23.63 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -172.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.1 mt -99.77 -35.27 9.85 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.542 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -95.99 -7.03 37.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.917 0.389 . . . . 0.0 110.716 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.96 18.17 74.22 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.58 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -154.64 141.22 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.49 156.5 90.21 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.06 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.29 129.38 34.3 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.096 2.531 . . . . 0.0 112.502 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -81.99 -46.31 14.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.949 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -128.58 168.4 15.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.802 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -83.09 -23.05 33.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -40.6 85.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 178.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.55 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 8.5 mm-40 -57.59 -49.48 76.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.409 172.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.81 -49.32 70.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.648 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 100' ' ' LEU . 73.6 mt -63.12 -40.71 90.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.21 -46.38 88.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.225 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.55 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 68.2 m-70 -70.62 -32.58 69.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.722 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 97' ' ' ILE . 30.3 mt -58.84 -53.58 56.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.019 0.437 . . . . 0.0 111.01 176.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.57 -38.29 90.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.473 -177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.472 HD21 ' HA ' ' A' ' 111' ' ' ASP . 50.9 tp -61.99 -44.28 97.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.04 175.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.58 -44.23 94.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.21 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.65 -35.75 81.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.51 -41.91 6.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -172.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -102.77 -36.12 8.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.804 0.335 . . . . 0.0 111.312 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.53 174.4 17.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.691 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -70.99 -24.2 62.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.302 . . . . 0.0 110.308 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 15.0 t70 -60.11 -40.29 89.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.85 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.68 -31.97 41.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.965 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.472 ' HA ' HD21 ' A' ' 102' ' ' LEU . 30.2 t70 -59.63 -52.27 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.315 0.579 . . . . 0.0 109.901 176.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.516 HD11 ' HB1' ' A' ' 59' ' ' ALA . 74.0 mt -68.99 -28.4 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.408 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 23.6 t70 -62.77 -25.72 68.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.957 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.2 m -56.81 -29.62 62.92 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.017 0.437 . . . . 0.0 110.933 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -78.72 -51.75 9.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.343 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.38 -33.14 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.087 0.47 . . . . 0.0 110.966 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -75.59 -5.93 47.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.72 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.1 m -114.18 80.04 5.42 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.96 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.96 -29.86 40.26 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.66 2.24 . . . . 0.0 112.579 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.3 -57.96 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.245 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -68.72 -25.9 64.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.714 HG22 ' HG3' ' A' ' 52' ' ' ARG . 84.9 m -69.0 -54.03 17.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.208 176.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.971 ' HA ' ' HB2' ' A' ' 127' ' ' ASP . 26.7 p30 -66.11 -21.2 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.075 -176.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.1 m -81.84 -24.59 35.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.199 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -121.1 -40.07 2.64 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -173.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.82 68.41 0.3 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.489 -0.863 . . . . 0.0 113.172 -175.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.971 ' HB2' ' HA ' ' A' ' 123' ' ' ASN . 36.7 t70 -103.64 -42.78 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 174.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -117.88 3.92 12.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.606 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 40.9 t -120.38 143.74 31.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.597 -177.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.6 t -81.96 126.96 73.79 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -46.55 103.4 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.222 2.615 . . . . 0.0 112.998 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -97.91 162.52 13.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.184 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.418 ' HE1' ' HG3' ' A' ' 83' ' ' LYS . 9.8 t80 -79.2 116.63 19.59 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.044 0.449 . . . . 0.0 110.699 -175.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.254 177.07 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo . . . . . 0 N--CA 1.451 -0.996 0 N-CA-C 111.385 -0.275 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -88.23 99.52 9.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -124.01 158.21 32.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.977 0.418 . . . . 0.0 111.082 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.572 ' HB2' HG21 ' A' ' 17' ' ' VAL . 29.5 tp -127.67 95.74 4.32 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 171.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.483 ' C ' ' H ' ' A' ' 8' ' ' ASN . 38.2 mtp180 -142.69 98.96 3.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.907 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.457 ' C ' ' H ' ' A' ' 9' ' ' TRP . . . 68.02 -33.71 0.23 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 124.013 0.821 . . . . 0.0 112.966 177.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' A' ' 6' ' ' ARG . 8.3 t30 -79.18 25.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.322 0.582 . . . . 0.0 110.777 -176.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.561 ' HZ2' ' HA ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -50.63 124.12 10.23 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.08 0.952 . . . . 0.0 112.738 -178.386 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.7 p -151.22 178.9 8.78 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -62.47 -47.28 84.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.225 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -64.77 -46.4 82.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.443 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.477 ' O ' HG22 ' A' ' 17' ' ' VAL . 2.5 m-20 -59.76 -56.01 27.16 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.624 ' O ' HG12 ' A' ' 18' ' ' ILE . 42.0 tp -58.08 -50.55 73.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.204 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.65 -36.49 83.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.434 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.7 m -65.41 -39.8 92.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.801 0.334 . . . . 0.0 110.151 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.572 HG21 ' HB2' ' A' ' 5' ' ' LEU . 70.4 t -61.07 -46.56 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.51 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.624 HG12 ' O ' ' A' ' 14' ' ' LEU . 11.6 mm -56.7 -51.7 63.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.376 0.608 . . . . 0.0 109.764 176.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 19' ' ' ARG . 44.6 ttm105 -61.9 -34.99 77.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.072 -175.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.05 78.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.776 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 17' ' ' VAL . 48.4 t -73.23 -41.29 58.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.302 177.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 C--O 1.232 0.165 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.276 176.685 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD13 HG21 ' A' ' 58' ' ' VAL . 77.6 mt . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.16 -39.5 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.8 m -62.19 -41.13 98.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.345 176.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.6 91.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.734 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.01 -45.21 91.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 110.288 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -61.72 -49.18 77.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.553 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 39' ' ' SER . 95.1 mt -62.55 -37.37 85.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.45 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.2 tp -71.81 -39.59 69.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.659 0.266 . . . . 0.0 110.524 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.561 ' HA ' ' HZ2' ' A' ' 9' ' ' TRP . 45.9 ttm105 -64.61 -35.08 79.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.189 0.518 . . . . 0.0 110.138 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -17.01 59.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.722 177.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.32 34.95 63.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.944 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -93.23 -31.46 14.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.891 0.377 . . . . 0.0 110.764 -178.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.7 pt -118.03 161.05 17.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.631 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -85.5 168.43 14.54 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.096 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.54 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 87.8 t -69.32 -31.8 51.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.45 -176.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HG3' ' HG3' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -56.02 -36.5 68.02 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.923 0.392 . . . . 0.0 110.2 172.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG3' ' HG3' ' A' ' 52' ' ' ARG . 46.0 mt-10 -83.37 -27.3 29.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.71 -177.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.478 ' O ' HG23 ' A' ' 58' ' ' VAL . 87.5 t80 -64.44 -51.43 63.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 173.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.38 -32.33 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.032 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.599 ' HG3' HD11 ' A' ' 116' ' ' ILE . 40.5 ttt180 -55.8 -49.99 71.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.498 178.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.41 98.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.911 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.492 HG21 HD13 ' A' ' 37' ' ' LEU . 48.1 t -62.99 -39.26 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.851 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.51 -25.67 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.594 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' HZ1' ' CG ' ' A' ' 109' ' ' ASP . 87.1 mttt -96.61 17.06 17.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.969 0.414 . . . . 0.0 111.083 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 m -97.49 -167.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.876 173.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -105.37 -101.56 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.735 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.1 tp 65.72 -71.69 0.08 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.142 0.577 . . . . 0.0 111.425 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 51.5 m-85 -104.07 102.04 11.8 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 64' ' ' TYR . 64.2 mttp . . . . . 0 N--CA 1.466 0.369 0 O-C-N 123.475 0.484 . . . . 0.0 109.895 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.512 ' O ' HG13 ' A' ' 78' ' ' ILE . 52.4 tp60 -61.43 -26.16 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.593 -173.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.515 ' HA ' HD13 ' A' ' 78' ' ' ILE . 18.8 p -53.96 -38.34 64.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -68.12 -37.18 80.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 111.011 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.7 t -75.64 -31.35 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.319 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 75' ' ' THR . 81.0 mt -55.9 -47.21 80.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.164 0.506 . . . . 0.0 109.892 173.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.599 ' HB3' ' NZ ' ' A' ' 83' ' ' LYS . 14.8 mt-10 -61.01 -44.36 97.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.041 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.6 -50.26 74.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.317 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -61.89 -44.68 96.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.643 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -42.42 87.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.831 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.599 ' NZ ' ' HB3' ' A' ' 79' ' ' GLU . 61.6 mttp -71.88 -25.23 61.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -95.36 -20.12 19.39 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.839 -178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.481 HD11 HG23 ' A' ' 112' ' ' ILE . 96.5 mt -100.75 -39.19 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.2 mt -122.03 -18.27 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.916 0.389 . . . . 0.0 111.161 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.5 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 77.87 14.61 82.17 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.117 -177.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 5.3 ptp180 -108.95 167.73 9.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.241 0.543 . . . . 0.0 111.035 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.73 153.67 42.87 Favored Pre-proline 0 C--N 1.317 -0.821 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 169.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.54 106.07 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.096 1.864 . . . . 0.0 111.894 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.421 ' CE2' ' HB2' ' A' ' 88' ' ' ARG . 87.2 m-85 -82.47 -36.59 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.195 0.522 . . . . 0.0 109.996 -178.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -117.5 146.52 43.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.681 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 93' ' ' GLU . 1.0 OUTLIER -60.94 -27.86 68.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.403 177.124 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 m -55.67 -38.24 69.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.614 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.15 -42.07 89.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.138 0.494 . . . . 0.0 110.455 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.0 t -64.56 -52.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.406 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.44 -43.23 90.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.128 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -56.08 -46.86 78.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.478 ' HD1' ' CG ' ' A' ' 111' ' ' ASP . 16.8 m-70 -72.34 -35.99 68.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.566 -177.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.7 mt -58.89 -51.34 70.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 110.887 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -67.72 -38.79 84.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.726 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 111' ' ' ASP . 28.1 tp -57.69 -46.87 83.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.655 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.91 -50.61 68.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.89 -16.59 63.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -174.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -99.17 -57.8 2.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.07 -35.13 10.13 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.526 -175.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.2 174.81 13.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.395 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -69.94 -25.25 63.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.787 0.327 . . . . 0.0 110.53 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.403 ' CG ' ' HZ1' ' A' ' 60' ' ' LYS . 13.8 t70 -60.3 -40.64 91.2 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.36 71.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.165 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.509 ' HA ' HD21 ' A' ' 102' ' ' LEU . 12.3 t70 -52.85 -46.2 67.71 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.333 0.587 . . . . 0.0 110.101 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.481 HG23 HD11 ' A' ' 85' ' ' LEU . 59.6 mt -77.45 -41.47 29.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.383 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.92 -21.58 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.858 -171.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.9 p -47.89 -61.75 1.8 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.623 ' HE1' ' HB3' ' A' ' 121' ' ' TYR . 24.9 t80 -65.91 -40.46 91.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 111.298 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.599 HD11 ' HG3' ' A' ' 56' ' ' ARG . 67.1 mt -56.89 -37.13 52.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.531 -174.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -90.65 -27.78 18.81 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.6 p -56.24 110.0 2.04 Favored Pre-proline 0 N--CA 1.468 0.45 0 CA-C-O 121.225 0.536 . . . . 0.0 111.269 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.65 -37.93 26.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.997 2.464 . . . . 0.0 113.029 -172.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 121' ' ' TYR . 7.4 pt-20 -60.9 -48.2 82.91 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.245 -0.182 . . . . 0.0 111.013 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.623 ' HB3' ' HE1' ' A' ' 115' ' ' TYR . 3.9 m-85 -71.3 -32.94 69.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.549 0.214 . . . . 0.0 110.742 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.8 m -56.46 -42.62 78.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.116 0.484 . . . . 0.0 110.733 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -81.8 -28.58 33.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.396 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 43.1 m -79.22 -51.26 9.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.369 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -79.44 -38.8 33.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.929 0.395 . . . . 0.0 110.089 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 114.65 109.0 2.76 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.268 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.54 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 9.9 t70 -54.05 -50.59 66.4 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.49 0.662 . . . . 0.0 110.264 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.471 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 62.5 m95 -87.49 27.74 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.196 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.37 136.62 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.1 t -86.08 124.84 69.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.807 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.71 144.33 65.33 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.762 2.308 . . . . 0.0 112.594 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.5 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 20.4 p90 -127.66 145.36 50.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.892 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.434 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 48.5 p90 -78.95 148.93 32.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.747 0.308 . . . . 0.0 111.203 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 C--O 1.235 0.317 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.443 -178.67 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo . . . . . 0 N--CA 1.461 -0.431 0 CA-C-O 120.764 0.235 . . . . 0.0 111.711 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.8 t -93.91 127.02 46.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -139.03 153.04 48.05 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.8 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -98.21 120.31 38.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -80.19 154.46 27.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.54 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.21 135.53 39.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 58.9 80.54 0.18 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -169.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -98.29 178.89 4.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.935 -170.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -132.66 167.0 20.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.717 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 17.9 tp10 -53.75 -45.82 70.69 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.172 0.295 . . . . 0.0 111.343 -175.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.36 -48.75 76.19 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.249 0.547 . . . . 0.0 111.203 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.445 ' O ' HG21 ' A' ' 17' ' ' VAL . 24.6 t70 -60.93 -49.33 77.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.306 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.549 ' O ' HG13 ' A' ' 18' ' ' ILE . 57.1 tp -67.78 -42.46 81.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.443 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -53.77 -44.83 70.37 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.212 0.53 . . . . 0.0 110.184 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -61.31 -42.46 98.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.676 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 21' ' ' VAL . 91.8 t -61.77 -46.28 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.0 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 14' ' ' LEU . 63.7 mt -59.13 -49.7 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.046 -178.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 79.3 mtp180 -63.12 -28.5 70.11 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.276 -177.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.29 -49.13 37.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 17' ' ' VAL . 48.0 t -61.48 -48.03 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.0 p90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.091 0.472 . . . . 0.0 111.335 178.721 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.5 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 95.7 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.87 -37.61 72.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.211 0.529 . . . . 0.0 109.974 175.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.655 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.0 m -58.76 -49.9 75.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.263 177.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -63.96 -40.63 96.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -52.99 -51.97 59.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.231 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -65.31 -40.02 93.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.022 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.4 mt -61.23 -44.03 97.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.997 0.427 . . . . 0.0 110.689 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.5 tp -67.49 -42.71 82.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.693 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 45' ' ' ARG . 55.6 mtt-85 -68.06 -28.58 67.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.798 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -82.41 -11.9 58.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.256 0.551 . . . . 0.0 110.047 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.31 34.24 33.21 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.016 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -88.76 -43.58 11.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.679 0.276 . . . . 0.0 111.019 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 36.2 pt -116.74 156.32 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.131 -176.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.4 p -85.34 173.73 10.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.238 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.52 ' O ' HG22 ' A' ' 55' ' ' VAL . 75.2 t -64.79 -36.14 76.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.811 ' HD3' HG21 ' A' ' 122' ' ' THR . 12.2 ttp180 -53.86 -50.72 65.62 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.593 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 32.9 mt-10 -67.83 -41.88 82.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.75 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 58' ' ' VAL . 82.7 t80 -58.31 -46.5 86.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.539 HG11 ' HG2' ' A' ' 131' ' ' PRO . 93.3 t -66.57 -33.53 64.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.221 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 54.7 ttt180 -62.73 -39.04 92.85 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.225 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.23 77.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.683 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 54' ' ' PHE . 48.9 t -71.56 -39.01 69.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.473 177.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HB2' HD22 ' A' ' 85' ' ' LEU . . . -62.73 -30.24 71.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.419 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 17.9 ptpt -105.79 15.84 26.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.348 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.2 p -76.76 -30.73 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 0.0 110.963 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' HG3' ' HD2' ' A' ' 64' ' ' TYR . 33.2 tt0 -84.66 99.41 10.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.298 0.57 . . . . 0.0 109.978 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 pp -92.29 16.16 12.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.835 -176.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.427 ' HD2' ' HG3' ' A' ' 62' ' ' GLU . 62.8 m-85 -91.58 76.85 5.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.863 0.363 . . . . 0.0 110.11 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 N--CA 1.464 0.252 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.248 -174.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 N--CA 1.466 0.347 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -78.0 -26.55 48.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.417 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 m -61.05 -33.42 73.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.886 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 33.6 ttt85 -71.53 -29.41 64.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.143 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.72 -37.29 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.845 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.53 -41.69 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.93 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.3 -40.07 85.02 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.401 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.2 mt -59.82 -54.15 49.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -65.24 -42.24 93.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.622 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 2.8 m-85 -59.36 -49.77 76.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -74.99 -15.21 60.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.48 -174.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -90.86 -43.76 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.685 0.279 . . . . 0.0 111.449 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.495 HD12 HG21 ' A' ' 112' ' ' ILE . 86.8 mt -96.99 -30.07 13.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -171.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 HD23 ' HE1' ' A' ' 121' ' ' TYR . 72.7 mt -113.69 -17.0 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.766 0.317 . . . . 0.0 110.703 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.17 20.0 74.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.276 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.622 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 7.7 tpt180 -126.37 142.66 51.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB3' ' HD2' ' A' ' 90' ' ' PRO . . . -81.13 159.13 68.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 89' ' ' ALA . 8.7 Cg_endo -50.57 107.21 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.702 2.268 . . . . 0.0 111.887 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.92 -50.05 52.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.122 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -122.5 159.35 27.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.841 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.38 -22.02 63.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.603 0.24 . . . . 0.0 110.669 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.5 t -61.67 -37.72 85.12 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.14 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -59.99 -40.25 88.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.306 0.574 . . . . 0.0 110.066 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.98 -57.08 13.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.443 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.35 -44.41 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.164 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -58.68 -44.13 90.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.345 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -79.51 -30.61 41.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.47 -44.61 95.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 109.68 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.12 -50.5 73.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.612 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.58 -47.09 83.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.265 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.91 -47.98 83.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.578 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -70.36 -33.53 71.55 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -175.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -82.22 -57.95 3.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.589 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -95.04 -37.24 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -170.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.29 176.91 14.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.194 -1.003 . . . . 0.0 113.319 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -71.29 -39.05 71.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.712 -0.244 . . . . 0.0 111.306 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.29 -29.88 68.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 113' ' ' ASP . . . -74.22 -29.84 61.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.82 -56.11 17.89 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.495 HG21 HD12 ' A' ' 85' ' ' LEU . 75.4 mt -54.59 -34.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.508 176.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 110' ' ' ALA . 26.5 t70 -57.81 -39.92 78.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.9 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.2 p -61.97 -24.63 67.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -86.17 -33.94 20.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.155 0.502 . . . . 0.0 110.42 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.514 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 49.5 mm -93.36 -36.29 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.06 -172.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . 0.478 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 26.5 t70 -76.06 -19.07 58.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.745 -173.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 p -79.32 103.94 1.91 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-O 121.022 0.439 . . . . 0.0 111.143 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 38.4 Cg_endo -67.74 -40.39 9.92 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.455 2.104 . . . . 0.0 111.988 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.33 -39.13 93.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.209 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.429 ' HE1' HD23 ' A' ' 86' ' ' LEU . 6.6 t80 -75.94 -38.66 57.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.431 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.811 HG21 ' HD3' ' A' ' 52' ' ' ARG . 30.6 m -72.9 -45.78 56.33 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.198 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.23 -36.5 82.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.609 0.242 . . . . 0.0 111.285 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.7 p -71.53 -18.67 62.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.628 0.251 . . . . 0.0 111.176 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 73.0 t80 -94.26 -39.37 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.39 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.75 106.61 1.14 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.676 -0.569 . . . . 0.0 111.676 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.77 -32.89 74.68 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.899 0.38 . . . . 0.0 111.34 -176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.27 18.15 22.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.017 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.3 t -108.78 138.71 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.016 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 79.9 t -76.03 127.63 84.81 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.271 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.539 ' HG2' HG11 ' A' ' 55' ' ' VAL . 52.9 Cg_exo -53.8 107.17 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.019 2.479 . . . . 0.0 112.521 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -105.34 158.52 16.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.172 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -64.36 139.28 58.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.196 0.522 . . . . 0.0 110.53 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.187 -173.282 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 N--CA 1.464 -0.215 0 N-CA-C 111.48 -0.238 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.564 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 45.3 t -79.24 105.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -99.44 116.9 32.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.601 -176.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.505 HD12 HG22 ' A' ' 17' ' ' VAL . 50.6 tp -86.83 100.21 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -76.92 139.0 40.06 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.25 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.16 -33.12 57.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.221 0.534 . . . . 0.0 110.988 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -86.86 92.09 8.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 168.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -126.89 162.27 26.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.366 0.603 . . . . 0.0 111.511 -174.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.2 t -113.65 167.49 10.57 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.8 -20.18 65.58 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.048 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.88 -45.01 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.194 0.521 . . . . 0.0 109.807 172.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.9 m-20 -68.48 -42.22 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.738 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.29 -49.15 78.73 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.362 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.68 -38.54 85.29 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.884 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.1 m -60.1 -42.58 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.984 0.421 . . . . 0.0 110.677 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.505 HG22 HD12 ' A' ' 5' ' ' LEU . 77.2 t -64.13 -56.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.171 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.6 pt -65.3 -38.52 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -71.79 -24.68 61.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.79 -32.58 59.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.005 0.431 . . . . 0.0 110.377 176.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 17' ' ' VAL . 57.8 t -79.14 -56.11 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.595 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 C--O 1.234 0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.434 178.793 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.491 HD13 HG23 ' A' ' 58' ' ' VAL . 89.4 mt . . . . . 0 CA--C 1.522 -0.117 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.59 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 87.4 t -67.85 -28.32 41.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.244 0.545 . . . . 0.0 109.963 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 p -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.286 172.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.7 -50.69 70.14 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.163 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' A' ' 38' ' ' VAL . 10.2 pt-20 -64.08 -30.68 71.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.225 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m -68.84 -42.49 77.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.222 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.17 -39.9 95.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.23 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.13 -41.79 98.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.274 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.8 ttm-85 -63.28 -30.57 71.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.004 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -85.29 -11.86 53.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.53 21.63 71.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.472 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -79.95 -38.2 32.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.63 153.99 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.14 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.7 p -84.4 165.35 18.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.708 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.459 ' HB ' ' HA ' ' A' ' 128' ' ' TRP . 57.9 t -60.93 -29.68 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.918 0.39 . . . . 0.0 110.181 177.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.532 ' HG2' HG23 ' A' ' 116' ' ' ILE . 17.1 ttp180 -53.63 -47.86 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.51 176.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.12 -42.95 88.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.369 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.402 ' O ' HG22 ' A' ' 58' ' ' VAL . 88.7 t80 -60.61 -51.75 68.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.402 -177.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.0 t -58.7 -42.66 85.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.886 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HD3' HG22 ' A' ' 116' ' ' ILE . 42.1 ttp180 -59.97 -49.19 78.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.81 86.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.503 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 HD13 ' A' ' 37' ' ' LEU . 60.8 t -67.61 -42.99 87.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.911 0.386 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.35 96.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.76 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 20.0 ptmt -93.91 16.13 15.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.795 0.331 . . . . 0.0 111.258 -177.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.5 t -85.83 168.56 14.15 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 120.855 0.359 . . . . 0.0 110.34 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.87 79.36 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.533 . . . . 0.0 111.613 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.87 -47.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.237 0.542 . . . . 0.0 110.449 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -67.13 -19.24 65.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.972 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 tptt . . . . . 0 C--N 1.327 -0.396 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.63 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 121.474 0.654 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -66.16 -25.44 66.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.626 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 p -57.27 -39.81 76.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.874 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 40.4 ttm180 -56.73 -47.37 80.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.844 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.19 -46.69 95.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.478 HG22 ' HD1' ' A' ' 99' ' ' HIS . 50.1 mt -65.15 -39.29 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 31.5 mt-10 -64.66 -25.01 67.77 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.012 177.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 90.7 mt -79.92 -41.99 25.0 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 120.705 0.288 . . . . 0.0 110.614 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -56.1 -50.7 70.31 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 10.2 m-30 -73.42 -19.79 60.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.824 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.865 ' HD3' ' HB2' ' A' ' 88' ' ' ARG . 22.7 tptp -58.96 -32.58 69.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 171.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -89.08 -25.83 21.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.198 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' A' ' 131' ' ' PRO . 95.0 mt -101.24 -53.47 3.01 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -171.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.5 mt -114.04 9.29 17.29 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA3' ' H ' ' A' ' 134' ' ' ARG . . . 81.87 41.12 9.88 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.21 -0.995 . . . . 0.0 111.774 -177.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.865 ' HB2' ' HD3' ' A' ' 83' ' ' LYS . 16.2 ttt180 79.53 -82.73 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.142 1.377 . . . . 0.0 112.385 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.71 126.65 75.15 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.961 -165.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.63 177.79 0.84 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 123.125 2.55 . . . . 0.0 111.857 174.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -97.61 -51.05 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.218 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.616 ' O ' HG22 ' A' ' 96' ' ' VAL . 29.7 t70 -117.89 149.01 41.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.798 0.332 . . . . 0.0 111.011 -173.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 97' ' ' ILE . 30.6 tt0 -69.77 -41.51 75.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.426 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.6 t -66.1 -36.17 82.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 92' ' ' ASP . 1.5 tm-20 -56.36 -49.42 74.48 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.078 172.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.691 ' HA ' ' CE1' ' A' ' 99' ' ' HIS . 54.3 t -52.65 -51.85 31.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 176.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 93' ' ' GLU . 33.0 mm -57.14 -39.49 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.874 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -55.59 -52.76 62.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.218 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.691 ' CE1' ' HA ' ' A' ' 96' ' ' VAL . 8.0 p80 -82.43 -16.42 49.03 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.708 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' A' ' 97' ' ' ILE . 19.2 mt -58.36 -48.98 78.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.927 0.394 . . . . 0.0 110.025 170.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.98 -46.24 85.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.062 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.509 ' HB3' ' HA ' ' A' ' 99' ' ' HIS . 59.0 tp -55.34 -47.07 76.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.358 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.53 -48.71 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.866 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.64 -37.98 59.23 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.972 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -83.47 -53.5 5.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -90.72 -36.41 14.33 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.401 -174.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.63 166.26 11.45 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.168 -1.015 . . . . 0.0 113.092 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.74 -33.0 73.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 111.314 178.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -67.1 -36.18 81.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.398 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.46 76.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.704 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.486 ' OD1' ' HB2' ' A' ' 99' ' ' HIS . 14.9 t70 -58.73 -42.65 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.36 0.6 . . . . 0.0 110.095 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 85.0 mt -71.83 -35.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.333 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.437 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 97.8 m-20 -68.53 -26.73 65.57 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.0 p -56.48 -59.12 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.714 0.292 . . . . 0.0 111.651 -174.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -61.94 -37.12 83.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.532 HG23 ' HG2' ' A' ' 52' ' ' ARG . 44.0 mm -73.89 -47.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.834 -174.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.65 -24.45 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.795 0.331 . . . . 0.0 111.141 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 m -79.71 115.32 52.81 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.498 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.78 -55.95 2.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.309 2.673 . . . . 0.0 113.484 -172.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.61 -32.0 73.46 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -65.1 -44.79 87.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.013 0.435 . . . . 0.0 110.244 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.48 HG21 ' HG3' ' A' ' 52' ' ' ARG . 87.1 m -70.07 -36.4 74.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.308 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.15 -34.31 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.865 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.3 p -70.95 -10.52 59.84 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -113.39 -38.72 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.797 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.99 128.82 3.0 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.93 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.77 -24.97 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.311 0.577 . . . . 0.0 110.812 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.459 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 80.8 m95 -122.25 19.14 10.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.15 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.53 132.42 61.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.796 -174.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.564 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 96.1 t -73.83 127.87 87.65 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.225 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.522 ' HB3' ' O ' ' A' ' 85' ' ' LEU . 93.0 Cg_exo -47.43 140.63 15.51 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.846 3.031 . . . . 0.0 113.894 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -110.2 174.6 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.918 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.478 ' HE2' ' HE2' ' A' ' 83' ' ' LYS . 5.0 t80 -83.95 141.03 31.54 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.404 ' H ' ' HA3' ' A' ' 87' ' ' GLY . 8.3 tpm_? . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 121.589 0.709 . . . . 0.0 111.055 -177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo . . . . . 0 N--CA 1.457 -0.651 0 CA-C-O 120.624 0.177 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -82.65 112.13 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.454 ' HB3' HG21 ' A' ' 129' ' ' VAL . 10.9 pt-20 -139.61 153.34 47.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.751 -178.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.524 ' HB2' HG12 ' A' ' 17' ' ' VAL . 62.2 tp -87.03 143.62 27.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.154 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -99.74 151.92 20.69 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.96 -39.17 87.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.87 81.2 4.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.628 170.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -99.21 155.79 17.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.423 0.63 . . . . 0.0 111.489 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.43 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 m -107.99 168.92 8.94 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.102 174.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.29 -55.72 31.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.788 0.327 . . . . 0.0 110.785 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.87 -37.63 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.499 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 10' ' ' SER . 32.8 t70 -62.03 -48.65 79.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.7 tp -59.24 -42.73 91.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.361 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.61 -37.18 82.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.274 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -62.87 -40.77 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.34 . . . . 0.0 110.621 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' A' ' 5' ' ' LEU . 59.0 t -67.5 -47.51 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.45 -44.92 93.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.682 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -61.4 -33.88 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.4 87.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.378 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.63 -56.01 11.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.132 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.46 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.158 0.504 . . . . 0.0 111.103 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.778 0.323 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.5 p -57.6 -31.95 40.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.244 0.545 . . . . 0.0 110.611 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.516 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 17.8 m -63.31 -38.07 89.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.589 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.56 56.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -67.42 -28.66 68.09 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.623 -178.554 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -70.09 -43.61 70.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.486 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 39' ' ' SER . 92.7 mt -62.81 -40.26 96.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.802 0.334 . . . . 0.0 110.567 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.59 -37.32 79.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -65.22 -26.63 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.018 -178.456 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -98.98 3.75 47.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.74 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.27 21.8 72.36 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.986 -0.552 . . . . 0.0 113.187 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -79.41 -39.69 31.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.983 0.392 . . . . 0.0 110.293 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.421 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 49.6 pt -108.69 149.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.285 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.3 p -86.67 172.09 10.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.477 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.85 -35.85 67.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HG3' HG21 ' A' ' 116' ' ' ILE . 2.9 ttp180 -48.55 -49.96 34.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.807 172.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 24.6 mt-10 -80.99 -33.55 33.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.205 -175.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.46 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 75.4 t80 -62.58 -53.22 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.526 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.22 -40.23 85.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.995 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 38.1 ttt180 -55.58 -56.62 18.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.222 179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.97 27.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.575 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.2 -42.77 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.15 -29.17 61.67 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -173.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . 19.0 ptmt -107.37 7.34 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.166 -0.614 . . . . 0.0 112.11 -173.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 p -98.66 -92.18 0.26 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -103.01 26.22 8.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.386 -164.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.2 mt -78.32 96.78 5.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.095 0.474 . . . . 0.0 110.095 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -74.9 155.75 37.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.355 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.28 -178.724 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.03 0.443 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -62.66 -33.94 76.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.189 -175.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 p -56.23 -51.47 68.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 10.9 mmm180 -53.84 -44.29 70.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.187 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.09 -45.14 99.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.558 HG21 ' HB3' ' A' ' 99' ' ' HIS . 84.4 mt -64.71 -53.99 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.987 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -31.45 70.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.46 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 33.0 mt -59.43 -48.45 81.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.177 0.513 . . . . 0.0 110.5 174.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.83 -48.78 77.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.34 -39.57 87.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.502 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.08 -35.39 78.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.897 0.38 . . . . 0.0 110.763 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -84.39 -18.52 35.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.435 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.8 mt -100.87 -27.4 13.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.0 mt -100.81 -22.9 14.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.523 0.201 . . . . 0.0 111.333 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 67.94 27.07 73.75 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -173.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -154.08 -168.07 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.82 -174.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.17 158.07 75.26 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.16 140.95 60.1 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.762 2.308 . . . . 0.0 112.038 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -89.28 -37.52 14.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.438 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.613 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 30.9 t70 -125.67 158.57 34.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.162 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.61 -28.09 41.0 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.451 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.2 m -68.83 -24.73 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.575 0.226 . . . . 0.0 111.334 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 13.8 pt-20 -73.5 -27.48 61.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.81 -45.62 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.239 0.542 . . . . 0.0 109.696 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.33 -38.19 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.807 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.22 -40.07 96.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.714 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.558 ' HB3' HG21 ' A' ' 78' ' ' ILE . 60.3 m170 -57.92 -50.49 73.17 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.18 0.514 . . . . 0.0 109.93 176.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.3 mt -55.72 -46.3 77.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.699 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.25 -44.58 75.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.871 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 111' ' ' ASP . 56.9 tp -59.32 -42.21 90.89 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.485 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -57.0 -43.95 82.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.08 176.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.61 -33.34 64.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.558 -177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -79.1 -58.79 3.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 111.362 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -100.11 -36.55 9.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.937 -170.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 135.33 175.39 13.82 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.042 -1.075 . . . . 0.0 113.337 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -69.37 -42.13 75.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 110.623 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.575 ' HB2' ' HB2' ' A' ' 60' ' ' LYS . 4.1 p30 -69.45 -24.34 63.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.902 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.33 59.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.04 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.487 ' HA ' HD21 ' A' ' 102' ' ' LEU . 21.3 t70 -64.35 -51.57 62.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.837 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.0 mt -54.45 -31.74 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.166 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 14.1 t70 -72.63 -20.66 61.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.006 -173.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.4 p -52.48 -42.61 64.4 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -171.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.35 -43.28 96.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 111.471 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.451 HG21 ' HG3' ' A' ' 52' ' ' ARG . 50.9 mt -89.33 -11.63 10.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.709 0.766 . . . . 0.0 110.052 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.46 -30.59 59.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.222 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.2 m -90.81 105.81 13.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.391 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.68 -45.86 27.02 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.863 2.375 . . . . 0.0 112.927 -174.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.34 -41.8 90.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.37 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.89 -53.75 51.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.099 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 29.2 m -62.59 -47.7 82.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 110.982 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -63.9 -47.7 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.273 -175.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.4 m -77.66 -18.92 56.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -172.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.403 ' HE2' ' HA ' ' A' ' 131' ' ' PRO . 54.2 t80 -92.22 -39.28 11.63 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.152 177.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.26 100.89 0.23 Allowed Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.889 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.83 -31.44 70.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.096 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -99.68 3.26 45.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.454 HG21 ' HB3' ' A' ' 4' ' ' GLU . 49.4 t -101.43 139.71 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.033 0.445 . . . . 0.0 111.812 -171.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.77 127.92 58.3 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.365 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.403 ' HA ' ' HE2' ' A' ' 125' ' ' PHE . 8.4 Cg_endo -50.15 128.99 24.02 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.676 2.917 . . . . 0.0 114.013 -176.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.487 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 18.4 p90 -130.28 166.91 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.045 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.73 124.94 26.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.382 0.61 . . . . 0.0 110.85 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.836 -178.096 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo . . . . . 0 N--CA 1.462 -0.37 0 N-CA-C 109.191 -1.119 . . . . 0.0 109.191 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.9 t -72.14 97.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.926 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.9 151.23 51.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.058 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 17' ' ' VAL . 34.6 tp -106.14 116.81 32.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.383 . . . . 0.0 110.144 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -80.82 160.17 24.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.096 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.28 -54.9 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.755 0.312 . . . . 0.0 111.007 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -96.28 88.39 4.77 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.522 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 44.6 p-90 -98.36 159.08 15.18 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.291 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -103.46 176.12 5.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 44.8 mm-40 -59.64 -38.84 82.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.649 0.261 . . . . 0.0 110.651 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.46 -38.4 77.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.914 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.522 ' HB2' ' HB2' ' A' ' 9' ' ' TRP . 5.8 m-20 -64.31 -54.01 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.846 176.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' HG12 ' A' ' 18' ' ' ILE . 52.5 tp -56.3 -46.81 79.63 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.856 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 53.6 mm-40 -52.99 -57.2 11.14 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.36 177.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.6 m -57.56 -40.02 78.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.722 -176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 5' ' ' LEU . 50.2 t -59.93 -62.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-O 120.91 0.386 . . . . 0.0 111.35 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 14' ' ' LEU . 16.6 pt -69.23 -27.39 34.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.317 -175.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 42.4 ttt85 -72.22 -31.12 65.56 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.315 0.384 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.18 -37.18 78.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.92 176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.28 -61.43 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.293 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.511 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 61' ' ' SER . 97.6 mt . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.8 p -65.87 -26.71 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 109.687 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.2 t -69.06 -40.26 78.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.09 175.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.57 86.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.904 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.23 -48.78 80.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.91 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 p -66.98 -40.73 87.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.577 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.87 -35.0 79.2 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.139 -0.224 . . . . 0.0 110.917 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.0 tp -71.02 -38.32 72.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.126 0.488 . . . . 0.0 109.921 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.449 ' O ' ' HZ2' ' A' ' 9' ' ' TRP . 41.5 ttp180 -61.94 -46.64 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.647 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.89 -29.37 68.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.13 0.49 . . . . 0.0 110.703 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.59 24.23 28.84 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.008 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -83.23 -28.6 29.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.088 0.47 . . . . 0.0 109.964 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 48.0 pt -121.73 153.47 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 59.6 p -92.93 -179.18 5.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.542 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 130' ' ' VAL . 61.5 t -65.14 -33.92 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.044 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HD2' HG22 ' A' ' 122' ' ' THR . 27.7 ttt180 -55.12 -48.23 73.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.353 174.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 6.2 mm-40 -72.0 -37.71 69.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.746 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 82.8 t80 -57.75 -54.32 48.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.272 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.78 -38.58 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.938 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.51 ' HD3' HG22 ' A' ' 116' ' ' ILE . 30.8 ttp85 -57.63 -46.19 84.47 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.76 -43.33 69.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.085 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 HG21 HD11 ' A' ' 37' ' ' LEU . 69.2 t -62.94 -50.63 78.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.99 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.55 -34.94 70.43 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 37.0 ttmt -90.55 12.45 18.7 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.887 0.375 . . . . 0.0 111.595 -177.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.529 ' HB3' HD21 ' A' ' 37' ' ' LEU . 81.2 p -74.48 -13.4 60.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.001 -0.437 . . . . 0.0 111.136 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 57.52 79.27 0.2 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.5 -176.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.77 156.21 20.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.377 173.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -52.9 131.99 36.51 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.127 -172.812 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -83.13 -26.09 31.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.682 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.408 HG23 HD11 ' A' ' 100' ' ' LEU . 22.0 p -60.16 -41.48 92.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.068 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -72.35 -22.83 61.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.731 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.31 -49.14 78.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 73.5 mt -61.91 -40.58 87.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.805 175.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.01 -39.2 81.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.02 -54.95 40.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.045 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -67.24 -42.91 83.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.361 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.2 t80 -56.31 -48.99 75.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.825 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 77.8 tttt -69.04 -32.39 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.21 -175.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -82.75 -36.37 25.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.078 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 97.7 mt -83.46 -53.91 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -176.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.7 mt -82.81 -11.16 58.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.163 -0.336 . . . . 0.0 111.155 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.714 ' CA ' ' HA ' ' A' ' 133' ' ' TYR . . . 70.59 15.12 72.97 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.254 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.483 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 44.4 mtm105 -127.86 138.53 52.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.581 -0.309 . . . . 0.0 110.331 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.524 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . . . -80.81 129.13 69.25 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -40.86 108.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.554 2.836 . . . . 0.0 112.496 -178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -84.91 -34.03 22.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.064 -173.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -117.71 141.12 48.76 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.247 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -64.29 -23.4 67.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.587 0.232 . . . . 0.0 110.687 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 m -60.88 -35.3 76.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.529 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.28 -43.74 98.38 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.342 0.592 . . . . 0.0 109.744 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.7 t -70.46 -51.14 40.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.789 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 70.4 mt -59.74 -39.44 79.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.178 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.02 -51.26 68.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.616 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.448 ' HD1' ' CG ' ' A' ' 111' ' ' ASP . 36.9 m-70 -69.64 -37.65 76.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.311 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.408 HD11 HG23 ' A' ' 75' ' ' THR . 82.7 mt -56.09 -49.19 74.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.977 0.418 . . . . 0.0 110.551 175.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.67 -48.32 81.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.293 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 111' ' ' ASP . 58.9 tp -62.86 -42.39 99.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.112 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -58.07 -41.65 83.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.01 0.433 . . . . 0.0 110.747 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.93 -33.85 72.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.16 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -76.6 -58.5 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.817 -176.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -105.9 -37.06 6.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.88 -171.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.46 -173.44 15.99 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.309 -0.948 . . . . 0.0 113.028 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.5 -45.58 86.66 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.718 0.407 . . . . 0.0 111.968 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -64.41 -32.34 73.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 111.161 -173.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.46 -33.08 42.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.231 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.477 ' HA ' HD21 ' A' ' 102' ' ' LEU . 18.6 t70 -63.59 -47.58 80.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.283 0.563 . . . . 0.0 109.575 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 115' ' ' TYR . 32.1 mm -57.57 -37.84 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.635 173.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.82 -40.63 97.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.384 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.7 p -63.39 -29.63 70.89 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 110.931 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 24.5 t80 -62.88 -34.62 77.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.769 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.51 HG22 ' HD3' ' A' ' 56' ' ' ARG . 40.0 mm -92.79 -24.07 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.286 0.565 . . . . 0.0 110.574 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.44 -19.43 59.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.761 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.53 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 5.1 p -78.8 111.01 16.33 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 121.175 0.512 . . . . 0.0 110.915 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.19 -52.34 2.13 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.038 2.492 . . . . 0.0 113.541 -172.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.62 -34.71 78.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.781 -175.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.53 ' CD1' ' HB2' ' A' ' 118' ' ' SER . 81.9 m-85 -68.0 -34.24 76.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.939 177.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.421 HG22 ' HD2' ' A' ' 52' ' ' ARG . 66.0 m -65.63 -44.19 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.098 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.58 -25.17 64.37 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.336 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 m -62.84 -19.31 63.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.387 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -121.67 -40.31 2.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 103.3 -167.63 17.0 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.676 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.596 ' O ' ' HB ' ' A' ' 50' ' ' THR . 1.6 m-20 -103.38 -11.28 17.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -121.26 10.29 10.59 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.791 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 94.0 t -114.22 135.22 54.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.521 ' O ' ' HD1' ' A' ' 132' ' ' TYR . 68.6 t -83.59 128.2 64.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.426 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.95 117.24 3.19 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.045 2.496 . . . . 0.0 111.851 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.521 ' HD1' ' O ' ' A' ' 130' ' ' VAL . 40.9 p90 -130.51 158.4 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.432 -174.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.714 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 40.9 p90 -69.31 148.4 49.78 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 . . . . . 0 N--CA 1.467 0.383 0 O-C-N 123.782 0.676 . . . . 0.0 111.792 -174.586 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 N--CA 1.456 -0.718 0 N-CA-C 111.63 -0.181 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.34 106.61 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.555 ' HB3' HG22 ' A' ' 129' ' ' VAL . 1.2 pm0 -111.15 155.25 23.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.291 0.567 . . . . 0.0 111.307 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.1 tp -91.54 127.83 37.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -85.36 153.15 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.024 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.36 92.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.632 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -97.79 85.17 3.49 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 172.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -104.36 164.82 11.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.312 -176.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.47 ' HB3' ' OD1' ' A' ' 13' ' ' ASP . 23.2 t -125.82 177.22 6.42 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.09 -41.14 91.05 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -173.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.58 -37.31 68.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -173.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 10' ' ' SER . 0.9 OUTLIER -74.39 -34.08 63.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.456 176.759 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.71 -44.41 96.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.233 0.54 . . . . 0.0 109.604 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.98 -38.92 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.104 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -66.2 -42.44 88.82 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.408 ' O ' HG21 ' A' ' 21' ' ' VAL . 96.2 t -59.81 -52.36 61.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.41 177.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.9 -43.42 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.793 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 19' ' ' ARG . 37.2 ttm105 -62.12 -39.34 92.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.309 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.84 -29.49 69.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.248 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 17' ' ' VAL . 54.7 t -80.12 -35.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.344 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.702 ' HH ' HG22 ' A' ' 58' ' ' VAL . 96.5 m-85 . . . . . 0 C--N 1.33 -0.25 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -175.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.646 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 11.0 p -61.44 -27.49 42.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.136 -175.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.662 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.3 t -66.14 -45.58 80.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.952 0.406 . . . . 0.0 109.984 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.88 64.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.543 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.646 ' HG2' ' HA ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -62.49 -40.45 96.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.24 -177.281 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.526 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 19.1 p -69.65 -35.71 75.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 39' ' ' SER . 91.6 mt -61.88 -50.62 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 175.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.81 -37.08 83.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.044 0.449 . . . . 0.0 110.351 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.744 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.39 -0.75 57.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 111.362 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.3 26.08 60.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.562 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.17 -41.38 70.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 109.942 176.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.738 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 37.6 pt -125.0 171.0 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.378 -177.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.436 HG23 ' CZ2' ' A' ' 128' ' ' TRP . 68.4 p -104.37 -175.7 2.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.383 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.506 HG23 ' CE3' ' A' ' 128' ' ' TRP . 79.8 t -63.51 -33.14 59.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.595 0.235 . . . . 0.0 110.529 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 56' ' ' ARG . 74.1 mtt180 -51.49 -56.06 15.42 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.97 174.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.738 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 4.7 mm-40 -67.38 -30.17 69.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.251 -175.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.565 ' O ' HG21 ' A' ' 58' ' ' VAL . 52.5 t80 -65.6 -54.79 22.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.009 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.32 -34.08 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.107 0.48 . . . . 0.0 109.899 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.52 ' HG3' HG13 ' A' ' 116' ' ' ILE . 66.0 ttt180 -54.6 -47.63 73.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.624 177.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.62 74.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.448 -178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.702 HG22 ' HH ' ' A' ' 22' ' ' TYR . 21.4 t -67.91 -18.66 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.146 0.498 . . . . 0.0 111.565 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.74 -48.88 8.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.467 ' HA ' HD11 ' A' ' 112' ' ' ILE . 18.2 ptmt -90.11 -20.83 22.68 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.929 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m 56.47 -171.15 0.08 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 64' ' ' TYR . 11.3 mm-40 -94.57 169.6 10.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.148 174.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.2 tp 72.55 -13.87 0.61 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.75 0.42 . . . . 0.0 112.074 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' A' ' 62' ' ' GLU . 98.2 m-85 71.83 -62.59 0.45 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.461 0.704 . . . . 0.0 111.018 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.229 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.496 ' O ' HG12 ' A' ' 78' ' ' ILE . 57.5 tp60 -62.85 -33.91 76.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.921 -173.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -38.57 89.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.899 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 30.8 mtp180 -70.52 -33.48 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.947 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.486 ' HA ' HD12 ' A' ' 80' ' ' LEU . 59.1 t -62.61 -33.04 57.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.373 0.606 . . . . 0.0 109.739 176.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.544 HD13 ' CD2' ' A' ' 99' ' ' HIS . 34.6 mm -63.09 -50.67 78.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.664 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.96 -38.79 83.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.128 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 77' ' ' VAL . 95.3 mt -55.82 -48.17 75.89 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.979 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -65.84 -39.31 90.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.697 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.489 ' HD2' ' HD2' ' A' ' 88' ' ' ARG . 22.3 m-85 -63.27 -39.08 93.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.777 0.323 . . . . 0.0 111.373 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -80.45 -15.25 57.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.585 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -87.19 -41.11 13.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.827 178.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.507 HD13 HG23 ' A' ' 112' ' ' ILE . 18.7 mt -93.72 -53.94 3.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -173.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.9 mt -99.64 -1.87 36.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.702 0.287 . . . . 0.0 111.043 -172.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 133' ' ' TYR . . . 58.56 33.7 73.03 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -174.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.489 ' HD2' ' HD2' ' A' ' 82' ' ' TYR . 18.3 mtt180 -87.68 149.48 24.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 112.094 -173.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.434 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . . . -110.61 114.66 54.63 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 161.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 6.0 Cg_exo -36.9 111.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.167 3.245 . . . . 0.0 113.422 -170.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -78.23 -47.64 17.54 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.451 -173.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.646 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 38.5 t70 -144.86 160.35 41.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.145 177.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.34 -21.28 65.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.666 -177.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.9 p -58.65 -42.39 88.26 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 8.9 pt-20 -64.88 -39.77 94.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.073 0.463 . . . . 0.0 109.848 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.423 HG12 HG23 ' A' ' 78' ' ' ILE . 74.8 t -62.67 -47.32 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.367 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.463 ' HA ' HD13 ' A' ' 100' ' ' LEU . 80.8 mt -59.99 -44.91 95.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.956 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -64.96 -32.85 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.988 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.544 ' CD2' HD13 ' A' ' 78' ' ' ILE . 8.4 t60 -76.24 -33.8 59.2 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 97' ' ' ILE . 86.8 mt -58.52 -44.01 89.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.958 0.409 . . . . 0.0 110.107 173.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.74 -45.36 94.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.104 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.48 HD21 ' HA ' ' A' ' 111' ' ' ASP . 29.1 tp -61.23 -41.47 96.93 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.8 0.333 . . . . 0.0 110.305 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 108' ' ' PHE . 73.6 t80 -58.04 -44.86 87.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.909 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.77 -39.48 56.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.234 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.78 -52.82 10.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.108 -173.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -112.82 -36.67 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.014 -175.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.42 163.08 11.33 Favored Glycine 0 C--O 1.228 -0.232 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.696 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.545 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 45.6 p90 -64.97 -24.83 67.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.894 0.378 . . . . 0.0 111.399 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 6.3 p-10 -72.04 -32.05 66.74 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.17 -34.25 49.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.954 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 71.5 m-20 -47.67 -62.52 1.41 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.697 0.761 . . . . 0.0 109.885 171.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.507 HG23 HD13 ' A' ' 85' ' ' LEU . 96.8 mt -61.09 -38.97 80.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.572 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 2.9 t70 -71.98 -33.6 68.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.601 -173.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.4 p -59.49 -35.99 75.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.796 0.332 . . . . 0.0 111.725 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -73.39 -16.68 61.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.636 -174.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.52 HG13 ' HG3' ' A' ' 56' ' ' ARG . 48.6 mm -71.94 -26.4 25.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.268 0.556 . . . . 0.0 110.204 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -107.35 -11.33 15.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.211 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.3 p -55.52 132.68 71.04 Favored Pre-proline 0 C--O 1.238 0.466 0 CA-C-O 121.085 0.469 . . . . 0.0 111.433 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.09 -38.9 94.11 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.974 2.45 . . . . 0.0 112.484 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.17 -36.98 85.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.714 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.478 ' HE1' ' HG3' ' A' ' 131' ' ' PRO . 79.4 t80 -60.35 -55.7 30.4 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 177.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.0 m -63.25 -43.97 96.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.019 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -65.36 -47.08 77.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.089 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.4 m -84.54 -45.0 13.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.2 -40.07 8.96 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.387 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 107.21 -161.67 13.66 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.076 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -103.88 -51.13 3.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.719 0.295 . . . . 0.0 111.772 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.506 ' CE3' HG23 ' A' ' 51' ' ' VAL . 80.8 m95 -95.96 10.1 38.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.572 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 4' ' ' GLU . 61.4 t -96.07 129.48 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.169 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 86.9 t -71.91 125.2 91.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.013 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.478 ' HG3' ' HE1' ' A' ' 121' ' ' TYR . 17.1 Cg_exo -65.22 102.37 0.45 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.681 2.254 . . . . 0.0 111.194 177.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -89.4 133.11 34.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.715 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.526 ' HA ' ' HA3' ' A' ' 87' ' ' GLY . 35.7 t80 -55.77 122.77 12.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 173.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.541 ' HG3' HH11 ' A' ' 134' ' ' ARG . 21.4 mmm-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.233 -172.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.458 -0.611 0 CA-C-O 120.686 0.203 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -84.69 119.11 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' HG3' HG23 ' A' ' 129' ' ' VAL . 35.5 tt0 -125.86 137.13 53.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.912 0.387 . . . . 0.0 110.712 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' A' ' 128' ' ' TRP . 28.5 tp -108.56 99.04 8.47 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.438 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 16.3 ptt180 -105.01 166.68 10.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.47 -177.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.88 46.0 0.16 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.265 0.555 . . . . 0.0 112.333 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -153.75 26.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.438 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 69.2 p-90 -82.22 144.57 30.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.751 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 m -94.82 160.3 14.66 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 169.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -60.09 -35.91 76.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.036 0.38 . . . . 0.0 110.348 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.92 -40.51 84.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.454 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 17' ' ' VAL . 6.5 m-20 -72.06 -30.61 65.31 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.658 ' HG ' ' HG2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -61.04 -43.69 98.5 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 174.09 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.01 -33.78 76.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.545 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.4 m -62.18 -44.0 97.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.497 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.444 HG21 HD11 ' A' ' 5' ' ' LEU . 90.4 t -62.03 -53.15 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.331 -178.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 pt -63.68 -39.3 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.438 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -20.0 61.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.477 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.48 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 175.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.96 -42.48 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.569 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.198 177.474 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.496 HD22 ' OG ' ' A' ' 61' ' ' SER . 80.9 mt . . . . . 0 N--CA 1.464 0.228 0 CA-C-O 121.319 0.581 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.23 -25.94 38.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.801 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 6.4 m -64.39 -42.9 95.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.162 176.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.74 64.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.3 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.38 -46.32 88.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.869 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -70.08 -43.78 70.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 39' ' ' SER . 82.7 mt -62.96 -28.66 70.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.538 0.209 . . . . 0.0 111.09 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.62 -46.75 65.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.137 177.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.658 ' HG2' ' HG ' ' A' ' 14' ' ' LEU . 63.6 mtt180 -65.31 -33.66 76.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 110.749 177.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.498 ' OD1' ' HE3' ' A' ' 48' ' ' LYS . 2.0 t-20 -82.51 -7.35 59.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.829 -177.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.07 32.98 77.72 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 113.156 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HE3' ' OD1' ' A' ' 46' ' ' ASN . 93.7 mttt -96.96 -16.18 20.75 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.608 -0.348 . . . . 0.0 111.271 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 pp -131.81 155.35 41.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.467 ' OG1' ' HG2' ' A' ' 53' ' ' GLU . 76.4 p -89.14 172.72 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.448 ' O ' HG21 ' A' ' 55' ' ' VAL . 86.2 t -65.02 -34.01 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.669 0.271 . . . . 0.0 110.825 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.717 ' HD2' ' CE2' ' A' ' 121' ' ' TYR . 61.9 mtm-85 -68.7 -32.01 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.313 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.467 ' HG2' ' OG1' ' A' ' 50' ' ' THR . 60.1 mm-40 -66.79 -37.8 85.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 110.042 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.445 ' O ' HG21 ' A' ' 58' ' ' VAL . 52.9 t80 -62.2 -45.34 93.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.564 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 51' ' ' VAL . 59.3 t -63.12 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.893 177.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.517 ' HB2' HG12 ' A' ' 116' ' ' ILE . 9.3 ttm180 -55.21 -46.81 75.93 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.213 0.53 . . . . 0.0 110.047 178.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.96 83.66 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.749 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 54' ' ' PHE . 63.8 t -59.74 -42.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.167 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.493 ' HB3' HD23 ' A' ' 85' ' ' LEU . . . -64.37 -28.77 69.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.771 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -101.8 16.11 26.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.49 . . . . 0.0 110.721 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.496 ' OG ' HD22 ' A' ' 37' ' ' LEU . 63.1 m -109.13 -164.68 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.188 -0.32 . . . . 0.0 111.856 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 67.53 -173.69 0.19 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.524 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.24 126.55 30.33 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 61.2 m-85 -63.35 146.19 54.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 64' ' ' TYR . 97.5 mttt . . . . . 0 C--O 1.235 0.291 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -170.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.285 0.564 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -83.94 -24.28 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.622 -173.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 p -43.88 -60.5 1.8 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -173.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.519 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 44.4 mtm105 -60.59 -35.43 76.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.496 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.07 -43.86 95.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.511 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.85 -37.83 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.34 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.08 -30.65 71.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.7 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 91.1 mt -73.09 -54.0 9.63 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -52.59 -49.57 64.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.941 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.404 ' HH ' ' CD ' ' A' ' 95' ' ' GLU . 1.8 t80 -62.58 -44.85 95.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.924 -177.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -72.79 -19.1 61.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.225 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -94.74 -53.71 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.76 0.314 . . . . 0.0 111.281 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 59' ' ' ALA . 73.7 mt -77.68 -37.39 49.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.175 -170.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.689 ' HG ' ' HD2' ' A' ' 115' ' ' TYR . 84.5 mt -102.52 -10.69 19.12 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.099 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.44 21.55 64.67 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.004 -0.544 . . . . 0.0 113.354 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -132.64 162.84 30.31 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.435 -0.45 . . . . 0.0 110.486 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.5 153.52 37.81 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.422 -173.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -68.56 95.75 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.748 2.299 . . . . 0.0 111.675 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -90.18 -21.07 22.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.274 0.559 . . . . 0.0 110.224 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -127.73 144.92 51.05 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.58 ' O ' HG12 ' A' ' 97' ' ' ILE . 12.1 pt-20 -69.98 -25.74 63.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.717 0.294 . . . . 0.0 110.434 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -59.15 -31.99 69.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.824 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.404 ' CD ' ' HH ' ' A' ' 82' ' ' TYR . 64.2 mm-40 -59.18 -49.29 78.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.107 0.479 . . . . 0.0 109.938 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.44 -45.31 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 93' ' ' GLU . 45.1 mm -56.02 -47.97 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.001 0.429 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -62.26 -42.86 99.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.114 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -72.49 -30.47 64.56 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.107 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.55 -50.03 75.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.009 0.433 . . . . 0.0 110.015 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.43 -50.14 70.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.709 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.23 -47.96 77.44 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.87 0.367 . . . . 0.0 111.091 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -56.16 -48.97 75.28 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.967 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.451 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 6.0 mm-40 -73.57 -17.73 61.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.748 -177.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -66.97 -55.14 15.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 0.0 111.051 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.511 ' HB2' ' HB1' ' A' ' 110' ' ' ALA . 30.7 mt-10 -120.56 -37.93 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -172.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 141.21 -177.17 21.22 Favored Glycine 0 C--O 1.238 0.366 0 C-N-CA 120.077 -1.059 . . . . 0.0 113.458 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -63.49 -33.72 76.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.317 -0.442 . . . . 0.0 110.592 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.95 -44.23 97.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.511 ' HB1' ' HB2' ' A' ' 106' ' ' GLU . . . -59.74 -41.11 90.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.996 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.08 -59.15 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.181 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 42.0 mm -51.66 -49.01 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.5 -22.34 64.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.7 p -72.07 -34.94 69.1 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.097 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.689 ' HD2' ' HG ' ' A' ' 86' ' ' LEU . 83.8 m-85 -57.52 -53.6 56.3 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.886 0.374 . . . . 0.0 111.138 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.517 HG12 ' HB2' ' A' ' 56' ' ' ARG . 2.7 mp -69.21 -31.02 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.799 -172.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.52 -16.27 37.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.77 0.319 . . . . 0.0 111.177 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.5 t -59.19 129.14 86.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.084 0.469 . . . . 0.0 111.504 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . 0.54 ' O ' HG21 ' A' ' 122' ' ' THR . 27.9 Cg_endo -62.56 -39.64 43.38 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.13 2.554 . . . . 0.0 112.727 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.29 -26.72 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.207 0.527 . . . . 0.0 110.309 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.717 ' CE2' ' HD2' ' A' ' 52' ' ' ARG . 23.4 t80 -75.6 -39.89 57.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.652 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 119' ' ' PRO . 2.8 t -74.44 -24.94 59.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.958 0.409 . . . . 0.0 110.311 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -77.53 -33.35 54.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.454 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.2 p -81.18 -41.94 21.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.702 -177.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.416 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 94.2 m-85 -108.35 -38.82 5.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.62 -168.98 18.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.446 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.449 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 16.4 m-20 -95.71 -22.23 17.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.749 0.309 . . . . 0.0 111.084 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.537 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 89.2 m95 -118.41 10.17 12.62 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.496 HG23 ' HG3' ' A' ' 4' ' ' GLU . 97.4 t -112.17 135.36 51.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.822 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.93 124.25 89.42 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.199 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.441 ' HG3' ' OH ' ' A' ' 121' ' ' TYR . 37.9 Cg_endo -65.29 109.15 1.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.804 2.336 . . . . 0.0 112.231 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -105.8 145.3 31.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -62.93 129.06 38.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.274 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.721 177.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.234 0.304 0 CA-C-O 121.025 0.344 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.39 103.23 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.771 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.65 145.97 47.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.756 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.503 ' HB2' HG21 ' A' ' 17' ' ' VAL . 33.6 tp -100.98 116.24 32.37 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.524 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 3.4 mpt_? -80.76 161.92 24.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.322 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.08 81.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 110.302 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -104.09 46.93 0.89 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.751 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -62.35 156.28 22.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.253 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t -106.53 167.41 9.87 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 171.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.13 -33.51 67.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 110.255 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.28 -45.68 90.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.466 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -68.96 -43.44 75.0 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.252 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.408 HD13 ' HG ' ' A' ' 44' ' ' LEU . 33.1 tp -57.32 -51.88 67.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.728 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.29 -30.94 71.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.418 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.9 m -63.2 -47.73 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.023 0.439 . . . . 0.0 110.178 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 5' ' ' LEU . 94.7 t -64.75 -47.66 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 70.4 mt -61.39 -48.66 87.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.279 -178.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -61.33 -33.45 73.64 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.202 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.76 84.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.284 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -83.88 -32.79 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.499 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.349 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.746 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.7 pt? . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 121.389 0.614 . . . . 0.0 112.201 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.1 p -63.99 -25.41 38.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.458 0.647 . . . . 0.0 109.385 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.0 p -64.27 -39.02 93.09 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.357 175.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.39 95.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.322 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.54 -39.3 87.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.55 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.5 t -65.1 -44.93 87.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.418 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 39' ' ' SER . 96.0 mt -63.02 -33.24 75.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.094 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HG ' HD13 ' A' ' 14' ' ' LEU . 38.3 tp -71.51 -41.2 69.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.472 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -66.1 -29.58 69.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.98 0.419 . . . . 0.0 111.21 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -91.05 8.11 37.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.078 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 34.03 87.3 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 113.178 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -92.53 -41.12 10.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.753 0.311 . . . . 0.0 111.061 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 43.0 pt -106.47 155.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.595 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.3 p -90.83 174.17 7.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.125 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.493 HG23 ' CE3' ' A' ' 128' ' ' TRP . 90.9 t -61.47 -32.83 54.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.78 ' HD2' HG23 ' A' ' 122' ' ' THR . 3.9 mmp_? -61.39 -49.36 77.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.243 176.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.536 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 58.9 mm-40 -63.47 -42.36 98.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.05 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -63.31 -50.73 68.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.674 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.12 -42.48 90.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.554 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.879 ' HD3' HG13 ' A' ' 116' ' ' ILE . 17.9 ttp180 -61.41 -42.17 98.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.64 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.49 87.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.169 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG22 HD13 ' A' ' 37' ' ' LEU . 56.9 t -66.65 -45.88 87.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.804 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.34 78.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.628 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.489 ' HD2' ' HG2' ' A' ' 56' ' ' ARG . 7.2 mtpp -76.19 -13.41 60.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.576 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.0 p -110.53 -92.95 0.44 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.196 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 65.0 -58.66 0.26 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.538 0.735 . . . . 0.0 110.415 -173.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.4 tp 77.68 161.96 0.22 Allowed 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 124.074 0.949 . . . . 0.0 111.142 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 69.91 -174.1 0.18 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.408 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mptt . . . . . 0 C--N 1.321 -0.639 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.719 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.79 -26.93 40.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -58.48 -29.09 65.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.851 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -56.85 -35.35 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.308 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.0 t -73.84 -36.31 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.302 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.14 -41.99 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.345 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.59 -52.01 67.37 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 tt -52.31 -55.38 21.81 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.69 HD22 HG12 ' A' ' 112' ' ' ILE . 45.8 t-20 -54.28 -61.12 2.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.596 -1.183 . . . . 0.0 111.236 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.79 -28.17 63.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.995 -171.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.45 -26.42 66.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.942 0.401 . . . . 0.0 110.161 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -95.65 -37.55 10.77 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.07 -37.36 26.53 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.9 mt -98.1 -18.59 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.283 0.563 . . . . 0.0 110.151 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.642 ' CA ' ' HA ' ' A' ' 133' ' ' TYR . . . 85.44 13.74 69.96 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.071 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -168.07 135.33 2.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.5 160.18 77.62 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.855 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -46.58 138.24 14.53 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.104 2.536 . . . . 0.0 112.586 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -68.92 -58.85 3.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.841 -171.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 93' ' ' GLU . 35.5 t70 -137.09 -177.4 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.596 0.236 . . . . 0.0 110.925 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.511 ' H ' ' CG ' ' A' ' 92' ' ' ASP . 8.0 tp10 -51.21 -37.2 45.49 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.083 0.953 . . . . 0.0 112.052 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 p -54.07 -45.1 71.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.552 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.23 -40.1 78.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.048 0.451 . . . . 0.0 110.154 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.1 t -61.91 -51.17 75.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.478 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.35 -51.18 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.68 -43.61 85.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.334 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -79.05 -34.48 43.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.22 -42.09 98.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.54 -55.14 35.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.705 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 111' ' ' ASP . 28.0 tp -66.04 -43.47 87.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.922 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.04 -46.64 87.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.325 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -85.23 -29.1 24.93 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.794 -175.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.41 -57.7 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.095 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -93.93 -32.18 13.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.324 -173.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.57 167.25 12.93 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.008 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -64.82 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.72 -49.31 73.37 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.541 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.26 -44.78 82.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.414 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.503 ' HA ' HD22 ' A' ' 102' ' ' LEU . 28.0 t70 -65.01 -42.87 94.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.69 HG12 HD22 ' A' ' 81' ' ' ASN . 74.1 mt -61.46 -34.3 60.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.337 0.589 . . . . 0.0 110.896 176.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.607 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -70.03 -25.48 63.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.605 -176.581 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.8 m -61.38 -28.34 69.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.87 -37.7 86.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.63 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.879 HG13 ' HD3' ' A' ' 56' ' ' ARG . 46.2 mm -77.87 -24.12 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.288 -178.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.74 14.21 1.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.417 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -110.71 80.78 2.24 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.891 0.377 . . . . 0.0 110.0 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.64 -43.29 0.66 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.409 2.073 . . . . 0.0 112.503 -175.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -57.01 -48.1 79.28 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.081 0.467 . . . . 0.0 110.63 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -65.09 -41.17 95.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.312 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.78 HG23 ' HD2' ' A' ' 52' ' ' ARG . 54.3 m -61.02 -47.3 87.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.406 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -57.87 -37.16 73.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.952 0.406 . . . . 0.0 110.579 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 m -84.5 -17.96 37.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.827 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -98.92 -38.4 9.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.846 0.355 . . . . 0.0 111.33 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 147.83 106.82 0.45 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.691 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -65.18 -42.83 93.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.197 0.522 . . . . 0.0 110.301 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.493 ' CE3' HG23 ' A' ' 51' ' ' VAL . 79.2 m95 -114.55 38.02 3.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.55 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 58.0 t -118.21 143.07 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.552 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 63.2 t -78.78 127.33 80.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.157 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.78 130.91 37.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.97 2.447 . . . . 0.0 113.026 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -126.1 163.81 22.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.416 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.642 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 18.8 p90 -72.01 122.46 20.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.36 0.6 . . . . 0.0 111.235 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.463 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.46 -0.451 0 N-CA-C 111.523 -0.222 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.442 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 43.7 t -76.68 99.12 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.26 151.54 21.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.904 0.383 . . . . 0.0 111.417 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.49 HD12 HG22 ' A' ' 17' ' ' VAL . 61.9 tp -115.83 111.64 20.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.593 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -95.25 162.51 13.66 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.199 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.97 -21.85 66.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.986 0.422 . . . . 0.0 111.012 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -113.44 87.05 2.52 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.506 ' CZ2' ' HG3' ' A' ' 45' ' ' ARG . 47.4 p-90 -109.5 152.85 24.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.476 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -86.64 150.99 23.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.079 171.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 38.8 tt0 -53.98 -45.98 71.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.61 -176.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.59 -25.16 62.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.392 . . . . 0.0 111.045 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.22 -46.52 73.57 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.0 -38.38 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.357 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 11.6 mm-40 -55.66 -41.65 73.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.725 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -70.35 -38.23 74.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.49 HG22 HD12 ' A' ' 5' ' ' LEU . 96.3 t -59.86 -53.71 44.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.99 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.483 ' HB ' ' CZ ' ' A' ' 22' ' ' TYR . 30.9 pt -69.31 -30.26 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.083 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -67.29 -26.05 66.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.878 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.24 -31.73 38.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.447 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.2 -51.21 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.645 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.483 ' CZ ' ' HB ' ' A' ' 18' ' ' ILE . 23.8 p90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.07 0.462 . . . . 0.0 110.275 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.58 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 77.9 mt . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.75 -36.84 68.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.972 0.415 . . . . 0.0 111.015 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.48 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 49.6 m -63.23 -40.76 98.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.983 0.421 . . . . 0.0 110.282 177.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.1 86.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.492 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 61.0 mt-10 -57.09 -50.8 71.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 177.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -62.51 -39.95 95.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.013 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 39' ' ' SER . 88.1 mt -66.34 -40.18 89.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.973 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 tp -71.1 -40.96 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.353 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.506 ' HG3' ' CZ2' ' A' ' 9' ' ' TRP . 65.9 ttp85 -57.69 -37.12 72.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.134 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -94.23 10.29 34.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.285 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.36 30.07 64.16 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.127 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -84.65 -28.45 26.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.009 0.433 . . . . 0.0 110.447 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.61 153.26 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.109 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.3 p -76.37 154.97 34.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG23 ' CE3' ' A' ' 128' ' ' TRP . 84.2 t -60.36 -36.23 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.689 ' HD3' HG21 ' A' ' 122' ' ' THR . 18.7 ttp180 -56.26 -47.4 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.164 0.507 . . . . 0.0 110.434 176.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -70.11 -36.23 74.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.661 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' HZ ' ' HE2' ' A' ' 22' ' ' TYR . 91.7 t80 -60.01 -51.96 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 177.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.9 -40.15 82.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.71 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.451 ' HB2' HG22 ' A' ' 116' ' ' ILE . 12.9 ttp180 -57.16 -50.48 72.69 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.299 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.99 -51.07 71.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.766 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.532 HG21 HD11 ' A' ' 37' ' ' LEU . 86.3 t -56.73 -51.75 62.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.821 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.61 -28.6 68.63 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -173.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -100.65 5.7 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -174.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.503 ' OG ' HD21 ' A' ' 37' ' ' LEU . 62.2 p -120.07 16.75 12.47 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -174.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.08 133.76 43.88 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.173 0.511 . . . . 0.0 110.881 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.79 -63.53 1.26 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.867 -170.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -120.22 160.83 22.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.881 0.372 . . . . 0.0 111.088 -173.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.682 176.534 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -57.71 -22.2 45.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.776 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.434 HG22 HG11 ' A' ' 96' ' ' VAL . 17.9 m -44.65 -37.83 3.92 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.324 172.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -31.37 69.41 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.642 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 47.0 t -72.39 -40.61 64.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.864 0.364 . . . . 0.0 110.666 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -43.96 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 0.0 109.921 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 47.4 mt-10 -63.39 -36.99 85.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.961 175.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 10.2 tt -55.42 -48.87 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.927 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.73 -39.34 91.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -50.43 74.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.696 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 14.8 mtpp -69.56 -24.41 63.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.319 -176.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -90.58 -40.01 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.5 HD11 HG23 ' A' ' 112' ' ' ILE . 94.9 mt -89.77 -42.82 11.08 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.694 -173.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.449 ' HG ' ' HD1' ' A' ' 115' ' ' TYR . 53.7 mt -96.1 -21.73 17.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.112 0.482 . . . . 0.0 110.439 177.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.53 18.87 57.91 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.17 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.449 ' HA ' ' CE1' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -156.57 176.91 12.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.319 0.56 . . . . 0.0 110.738 175.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.91 157.18 46.37 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.096 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.21 142.12 56.96 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.448 2.098 . . . . 0.0 111.774 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -78.41 -33.45 48.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.312 0.577 . . . . 0.0 109.683 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -146.91 158.64 43.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.162 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.48 ' O ' HG13 ' A' ' 97' ' ' ILE . 13.4 pt-20 -75.06 -10.81 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.53 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 p -59.82 -39.03 83.69 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.226 0.536 . . . . 0.0 109.98 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 37.0 mt-10 -64.79 -39.61 93.88 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.488 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.434 HG11 HG22 ' A' ' 75' ' ' THR . 58.2 t -61.24 -44.99 99.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.357 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 93' ' ' GLU . 72.7 mt -56.79 -45.19 82.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.734 177.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -58.96 -43.73 91.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.772 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 47.4 m-70 -72.37 -34.59 68.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.308 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.23 -49.02 79.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.124 0.488 . . . . 0.0 109.953 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.25 -48.38 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.732 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 111' ' ' ASP . 52.3 tp -60.56 -45.33 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.821 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.01 -37.77 86.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.059 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.2 -33.79 29.23 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.937 -177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -81.53 -58.98 2.78 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.396 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -94.06 -32.85 13.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.75 0.31 . . . . 0.0 111.318 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.5 176.59 17.97 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.856 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -63.22 -24.75 68.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 110.787 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 16.4 t70 -55.51 -48.71 74.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.449 176.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.1 -35.18 59.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.24 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.41 ' HA ' HD21 ' A' ' 102' ' ' LEU . 29.5 t70 -59.69 -57.71 11.76 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.5 HG23 HD11 ' A' ' 85' ' ' LEU . 63.5 mt -62.13 -37.66 79.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.073 0.463 . . . . 0.0 110.812 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 1.3 t70 -67.27 -33.67 75.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.395 -175.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 87.0 p -58.32 -39.81 80.41 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.449 ' HD1' ' HG ' ' A' ' 86' ' ' LEU . 93.7 m-85 -64.25 -37.45 87.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.354 0.597 . . . . 0.0 110.596 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 56' ' ' ARG . 40.1 mt -90.35 -15.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.221 -170.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -75.62 -16.42 60.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.142 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.2 t -92.16 110.98 47.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.922 0.392 . . . . 0.0 111.142 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.0 -25.27 16.45 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.541 2.16 . . . . 0.0 111.68 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.53 -53.19 60.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.97 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -72.93 -33.29 65.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.127 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.689 HG21 ' HD3' ' A' ' 52' ' ' ARG . 95.5 m -58.19 -55.92 28.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.032 0.444 . . . . 0.0 110.524 176.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.478 ' HA ' ' OD1' ' A' ' 127' ' ' ASP . 4.4 t-20 -65.77 -26.4 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.906 -178.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.2 t -79.22 -17.59 54.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.916 -177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.578 ' HE2' ' HB3' ' A' ' 131' ' ' PRO . 1.9 t80 -114.93 -38.38 3.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.34 -176.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.628 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 154.72 103.37 0.22 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.814 178.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.478 ' OD1' ' HA ' ' A' ' 123' ' ' ASN . 4.9 m-20 -65.95 -34.59 78.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 110.603 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.425 ' CE3' HG23 ' A' ' 51' ' ' VAL . 91.9 m95 -120.56 26.27 9.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.978 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.628 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 61.7 t -121.65 137.14 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.478 -176.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.442 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 61.3 t -79.13 120.57 81.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.578 ' HB3' ' HE2' ' A' ' 125' ' ' PHE . 50.8 Cg_exo -54.98 141.77 77.93 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.256 2.638 . . . . 0.0 113.604 -176.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -123.24 172.38 8.66 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.449 ' CE1' ' HA ' ' A' ' 88' ' ' ARG . 2.4 t80 -81.43 129.85 34.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.084 0.468 . . . . 0.0 111.21 -177.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.688 -177.408 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.598 0.166 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.24 107.58 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.983 0.421 . . . . 0.0 109.885 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -140.32 147.99 40.7 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.604 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.532 ' HB2' HG21 ' A' ' 17' ' ' VAL . 31.6 tp -106.47 102.54 11.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.8 mtm-85 -73.49 151.8 40.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.559 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.16 -41.0 64.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.867 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -93.58 89.62 6.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.252 0.549 . . . . 0.0 109.706 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.524 ' HH2' ' HG3' ' A' ' 45' ' ' ARG . 64.4 p-90 -115.2 160.36 19.82 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.359 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -109.96 169.22 8.87 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 171.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.87 -36.36 65.04 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.016 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.82 -37.98 86.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.568 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' HG22 ' A' ' 17' ' ' VAL . 20.5 m-20 -63.26 -51.64 65.32 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.169 0.509 . . . . 0.0 109.925 175.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.26 -44.78 84.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.748 -177.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -55.42 -51.68 66.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.965 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.3 m -60.9 -40.32 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 5' ' ' LEU . 96.3 t -65.53 -50.18 73.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.803 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.24 -39.01 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.198 0.523 . . . . 0.0 110.827 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.459 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 2.6 tmm_? -66.2 -30.73 71.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.575 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.94 -37.87 21.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.451 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 17' ' ' VAL . 96.7 t -65.03 -51.51 65.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.877 0.37 . . . . 0.0 110.264 178.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 174.871 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 58' ' ' VAL . 86.6 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.899 0.381 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.7 -26.04 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.339 0.59 . . . . 0.0 109.736 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.578 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.1 p -63.6 -41.23 98.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.322 174.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.06 84.35 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.307 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -58.57 -43.64 89.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.032 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.2 t -64.55 -41.01 96.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.957 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 39' ' ' SER . 85.9 mt -58.37 -46.57 86.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.912 0.386 . . . . 0.0 110.267 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.2 tp -66.65 -43.96 83.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.302 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HG3' ' HH2' ' A' ' 9' ' ' TRP . 32.6 ttt180 -61.84 -38.13 87.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.906 -176.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.66 8.8 35.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.087 -176.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.41 32.1 68.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.145 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -88.59 -31.73 18.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.876 0.37 . . . . 0.0 110.346 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.783 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 43.0 pt -135.9 166.57 26.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.858 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p -97.63 -176.54 3.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 55' ' ' VAL . 95.6 t -62.1 -28.16 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 110.339 177.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.474 ' CD ' HG21 ' A' ' 122' ' ' THR . 28.4 mtm180 -62.8 -51.0 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.465 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.783 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 3.9 mp0 -66.97 -33.83 76.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.98 0.419 . . . . 0.0 110.333 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' O ' HG21 ' A' ' 58' ' ' VAL . 69.8 t80 -62.53 -53.67 51.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.452 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 51' ' ' VAL . 93.6 t -63.71 -35.39 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.555 HH21 ' HG3' ' A' ' 53' ' ' GLU . 59.0 ttp85 -61.91 -42.2 98.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.399 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -35.2 80.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.815 0.341 . . . . 0.0 110.681 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 54' ' ' PHE . 69.2 t -70.82 -46.28 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.945 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.81 -33.6 66.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.779 -176.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 53.1 mtpt -100.41 17.15 22.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.387 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 p -66.83 170.46 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.161 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 11.7 pt-20 -79.91 168.0 19.8 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.266 -0.271 . . . . 0.0 111.707 -175.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 99.3 mt 72.28 173.71 0.3 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.934 0.771 . . . . 0.0 111.213 -177.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.6 t80 56.83 68.74 0.82 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.646 0.591 . . . . 0.0 111.031 174.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.468 0.457 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.388 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.232 0.539 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -64.06 -39.64 94.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.987 176.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.7 m -56.64 -32.24 65.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.117 0.484 . . . . 0.0 111.422 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -68.1 -24.9 65.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.749 -176.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 83.9 t -61.87 -52.45 60.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.16 0.505 . . . . 0.0 109.771 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.424 HD13 ' HB2' ' A' ' 99' ' ' HIS . 48.4 mt -56.76 -45.96 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.821 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.2 -42.79 99.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.161 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.57 -37.75 73.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.23 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.38 -42.81 99.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.663 0.268 . . . . 0.0 110.61 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -63.78 -43.78 95.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.242 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.31 -32.5 73.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 111.423 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -81.29 -29.5 34.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.839 -175.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.9 mt -101.35 -53.66 2.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.1 mt -105.22 -26.61 11.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 111.433 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.658 ' HA3' ' HA ' ' A' ' 133' ' ' TYR . . . 75.24 14.91 81.47 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.572 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -123.07 132.87 54.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.47 155.45 58.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 123.565 0.54 . . . . 0.0 111.395 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.23 143.34 26.23 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.167 2.578 . . . . 0.0 112.115 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.64 ' HB2' ' HG3' ' A' ' 95' ' ' GLU . 83.7 m-85 -68.77 -33.97 74.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.42 -170.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -156.98 167.67 29.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.526 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.6 tp10 -63.41 -41.24 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 175.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -65.76 -34.52 78.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.045 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.64 ' HG3' ' HB2' ' A' ' 91' ' ' TYR . 1.4 tm-20 -58.87 -44.01 90.99 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.125 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.57 -43.19 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.746 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 93' ' ' GLU . 47.9 mm -58.63 -42.33 84.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.467 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -58.8 -42.97 90.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.709 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 54.0 m-70 -71.71 -35.65 70.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.417 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 86.9 mt -58.27 -48.05 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.0 -35.95 82.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.708 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.15 -42.36 99.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . 0.454 ' O ' ' HA2' ' A' ' 107' ' ' GLY . 23.0 t80 -63.15 -36.68 84.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.193 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 46.2 mt-10 -75.7 -47.57 25.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.854 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -59.1 3.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.978 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.97 -36.13 8.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.747 -172.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 103' ' ' TYR . . . 111.2 177.69 20.4 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.643 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.454 ' O ' HG12 ' A' ' 112' ' ' ILE . 23.3 p90 -60.75 -24.17 65.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.564 -0.318 . . . . 0.0 111.011 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.52 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -53.78 -59.92 3.99 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 175.35 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 113' ' ' ASP . . . -66.0 -28.63 69.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.388 -177.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -63.62 -43.82 95.73 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.669 -0.413 . . . . 0.0 109.892 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 108' ' ' PHE . 36.2 mm -67.76 -45.24 84.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 121.413 0.625 . . . . 0.0 110.045 174.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.437 ' HB2' ' HA ' ' A' ' 110' ' ' ALA . 8.8 m-20 -63.74 -20.24 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.101 -178.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 m -47.7 -42.71 25.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.425 0.155 . . . . 0.0 111.314 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -88.33 -50.86 6.07 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.534 HG22 ' HB2' ' A' ' 56' ' ' ARG . 55.8 mt -74.53 -30.44 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -168.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.29 -13.2 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.838 0.352 . . . . 0.0 110.621 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.6 p -100.15 117.63 62.87 Favored Pre-proline 0 C--O 1.236 0.376 0 CA-C-O 121.235 0.54 . . . . 0.0 110.83 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.86 -39.82 58.65 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.765 2.31 . . . . 0.0 112.515 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.71 -45.25 92.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.9 0.381 . . . . 0.0 111.145 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -71.5 -34.94 70.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.446 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.474 HG21 ' CD ' ' A' ' 52' ' ' ARG . 28.4 m -75.89 -50.93 13.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.996 0.427 . . . . 0.0 110.61 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.32 -19.91 62.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.1 t -47.37 -49.61 24.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.565 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -127.88 -12.11 5.36 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 151.42 144.81 4.0 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 119.512 -1.328 . . . . 0.0 113.81 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.21 -32.74 18.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.502 0.668 . . . . 0.0 110.085 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . 0.446 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 82.0 m95 -103.45 19.1 20.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.157 -173.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 59.2 t -93.91 141.24 15.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.794 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.49 136.19 71.67 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.38 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -39.03 119.8 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 124.316 3.344 . . . . 0.0 113.033 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -87.27 143.83 27.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.303 -174.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . 0.658 ' HA ' ' HA3' ' A' ' 87' ' ' GLY . 34.6 t80 -109.7 122.18 46.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 160.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.024 0.44 . . . . 0.0 110.201 -175.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--O 1.231 0.14 0 N-CA-C 111.774 -0.125 . . . . 0.0 111.774 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.12 109.61 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.185 0.517 . . . . 0.0 111.902 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.42 156.75 30.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.118 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 tp -112.42 100.29 8.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.513 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 84.9 mtt-85 -80.73 158.08 25.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.225 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.63 37.16 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.401 . . . . 0.0 111.979 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 6' ' ' ARG . 7.7 t30 -169.86 77.09 0.09 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.513 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 42.5 p-90 -118.61 169.96 9.36 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.549 -173.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t -114.67 172.45 7.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 170.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.61 -33.71 75.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.598 0.237 . . . . 0.0 111.288 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.35 -43.9 96.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.149 0.499 . . . . 0.0 109.729 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.15 -44.68 83.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.163 177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.81 -46.07 90.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.859 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -58.72 -37.44 76.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.425 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.6 m -61.42 -43.06 99.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.566 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 21' ' ' VAL . 62.9 t -69.81 -49.45 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.012 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.14 -50.22 78.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.296 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -67.08 -31.84 72.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.492 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.62 -33.34 75.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 110.753 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 17' ' ' VAL . 68.1 t -76.93 -53.15 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.083 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.612 ' HH ' ' HB2' ' A' ' 37' ' ' LEU . 1.7 p90 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.043 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.612 ' HB2' ' HH ' ' A' ' 22' ' ' TYR . 94.1 mt . . . . . 0 N--CA 1.463 0.211 0 CA-C-O 121.212 0.529 . . . . 0.0 110.776 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.76 -33.75 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.933 -174.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 14.0 m -67.28 -41.72 84.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.065 0.46 . . . . 0.0 110.295 177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.03 -36.32 77.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.47 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.01 -49.07 79.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.518 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.8 m -58.47 -42.74 88.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.726 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.5 mt -60.62 -38.88 86.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.042 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.5 tp -78.18 -40.25 38.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.827 0.346 . . . . 0.0 110.812 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' HH2' ' A' ' 9' ' ' TRP . 58.6 ttt180 -68.41 -34.19 75.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.471 -175.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -85.2 -24.52 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.526 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.59 49.1 2.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.965 -0.635 . . . . 0.0 113.087 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -98.42 -47.84 5.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.568 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 pt -96.53 172.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 -175.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.3 p -102.6 168.54 9.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.291 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.1 t -64.5 -28.29 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.102 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -55.4 -44.6 76.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.38 176.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.17 -34.7 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.875 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.03 -47.59 85.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.25 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.039 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 33.0 ttm180 -49.16 -52.45 26.37 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.422 178.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.37 86.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.678 -175.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.9 t -73.82 -40.76 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.072 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.41 ' HB3' HD13 ' A' ' 85' ' ' LEU . . . -56.34 -52.6 63.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.332 -174.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 16.3 ptpt -85.23 16.5 3.56 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.8 m -109.18 -91.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.149 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 48.64 32.96 3.79 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 122.842 0.457 . . . . 0.0 111.935 -175.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.9 mt 69.83 6.35 5.69 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.441 0.696 . . . . 0.0 112.299 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 69.04 -68.68 0.18 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.548 0.739 . . . . 0.0 111.561 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.429 0.633 . . . . 0.0 110.598 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.834 HE21 ' HA ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -64.68 -26.57 68.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.678 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.472 HG23 HD23 ' A' ' 100' ' ' LEU . 54.7 p -61.61 -46.33 90.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.508 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.583 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 97.9 mtt180 -68.43 -28.74 67.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.605 -175.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.22 -50.29 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 175.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' A' ' 99' ' ' HIS . 70.0 mt -60.68 -42.57 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.296 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 75' ' ' THR . 49.1 mt-10 -58.72 -38.72 78.97 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 90.3 mt -61.35 -56.71 17.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -65.33 -36.16 83.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 110.296 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 7.7 t80 -55.89 -49.54 73.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.838 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -66.32 -40.19 89.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.089 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -62.79 -41.5 99.29 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 131' ' ' PRO . 93.0 mt -84.34 -50.47 7.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.336 -173.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.0 mt -96.73 -10.5 26.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -169.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.1 30.08 69.65 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.094 -174.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.504 ' HG3' ' HD2' ' A' ' 134' ' ' ARG . 69.0 ttt180 -143.91 141.07 30.06 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -171.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.89 147.92 37.19 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 120.502 0.191 . . . . 0.0 110.594 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.33 129.49 30.06 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.665 2.243 . . . . 0.0 111.754 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -81.21 -42.48 20.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.879 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -117.94 177.56 4.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.548 ' O ' HG12 ' A' ' 97' ' ' ILE . 32.7 tt0 -87.04 -28.48 22.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.52 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.6 t -63.29 -38.14 89.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.663 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -46.88 82.87 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 41.7 t -64.41 -41.34 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.042 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.548 HG12 ' O ' ' A' ' 93' ' ' GLU . 50.5 mm -58.94 -39.82 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -63.18 -41.68 99.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.225 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.502 ' HB3' HD13 ' A' ' 78' ' ' ILE . 89.7 m-70 -66.84 -38.59 86.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.647 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.472 HD23 HG23 ' A' ' 75' ' ' THR . 88.1 mt -58.12 -48.29 80.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.206 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 20.5 t70 -60.75 -47.62 85.5 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.475 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.24 -45.44 94.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.874 0.369 . . . . 0.0 111.004 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -58.94 -42.12 89.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.627 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -87.89 -18.32 29.45 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.664 -176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.685 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 1.2 t-20 -85.17 -58.24 2.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.776 0.322 . . . . 0.0 111.253 -177.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -105.82 -33.56 7.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.291 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.77 172.33 12.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.298 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -67.41 -38.48 84.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.232 0.539 . . . . 0.0 109.732 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.474 ' CG ' ' HZ2' ' A' ' 60' ' ' LYS . 14.3 t70 -56.45 -40.37 74.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.564 177.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.95 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.764 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.07 -40.46 82.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.575 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 35.4 mm -64.28 -34.41 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.396 0.617 . . . . 0.0 110.313 175.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.519 ' HA ' HD11 ' A' ' 116' ' ' ILE . 9.7 t70 -70.39 -20.28 62.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.426 -175.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.3 p -54.08 -46.63 72.09 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.616 ' HD1' ' HB3' ' A' ' 121' ' ' TYR . 26.5 t80 -62.35 -29.69 70.64 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.141 0.496 . . . . 0.0 111.164 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' A' ' 113' ' ' ASP . 9.8 mt -85.16 -33.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 -176.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.46 -30.63 29.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.534 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 62.5 p -85.37 120.88 73.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 0.0 111.272 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.86 -25.47 52.82 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.346 2.031 . . . . 0.0 111.343 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.85 -58.13 9.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.793 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.616 ' HB3' ' HD1' ' A' ' 115' ' ' TYR . 45.6 m-85 -63.88 -39.15 93.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.744 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 76.8 m -56.88 -52.27 65.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.301 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -20.72 57.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.838 0.351 . . . . 0.0 110.791 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.8 t -63.62 -49.6 72.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.665 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -97.07 -34.7 11.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 124.93 135.35 4.36 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.408 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 52.8 t0 -69.07 -50.52 47.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -95.21 12.93 27.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.898 -177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.17 136.9 48.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.134 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.8 118.12 70.57 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.431 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -50.95 119.79 5.79 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.938 2.425 . . . . 0.0 112.53 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -87.41 160.74 18.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.094 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -78.1 136.98 37.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.052 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.504 ' HD2' ' HG3' ' A' ' 88' ' ' ARG . 1.8 ptm180 . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.827 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.432 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 96.0 mmm . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 19.6 Cg_exo -65.98 133.5 33.72 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.896 2.397 . . . . 0.0 112.419 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.512 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 40.6 t -88.08 125.38 41.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -137.7 146.78 44.19 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp -99.89 107.82 19.91 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.415 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 88.9 mtt180 -90.0 159.55 16.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.956 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.65 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.328 0.585 . . . . 0.0 110.473 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -101.16 86.34 3.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.89 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.415 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 68.8 p-90 -118.69 150.2 40.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.439 0.637 . . . . 0.0 112.006 -174.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.7 t -98.22 155.62 17.09 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 170.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.754 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 34.6 mt-10 -57.89 -40.34 80.04 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.866 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -56.05 -36.25 67.84 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.04 0.448 . . . . 0.0 111.675 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' O ' HG23 ' A' ' 17' ' ' VAL . 33.3 t70 -67.91 -44.69 76.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.728 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' A' ' 45' ' ' ARG . 64.0 tp -66.95 -37.12 83.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.265 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.754 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 5.1 mm-40 -57.99 -36.32 72.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.283 0.563 . . . . 0.0 109.605 176.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -67.23 -43.14 82.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.383 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 13' ' ' ASP . 96.9 t -60.13 -55.4 24.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.436 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.4 pt -63.09 -34.92 69.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.491 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -75.41 -19.97 59.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.73 0.3 . . . . 0.0 111.563 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.83 -35.18 44.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.768 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.82 -42.67 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.448 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' HB3' ' HE1' ' A' ' 32' ' ' MET . 0.6 OUTLIER -61.34 146.7 47.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.249 -179.291 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -82.22 91.33 6.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.06 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.59 104.08 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.2 m -78.57 -176.56 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.221 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 pp -69.98 -12.33 61.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.452 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -83.67 113.29 3.69 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.6 -65.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -124.92 80.92 1.91 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.349 0.595 . . . . 0.0 111.166 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -131.47 22.11 4.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.012 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.4 p 43.93 66.45 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-O 122.254 1.026 . . . . 0.0 110.92 -169.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.404 ' HE1' ' HB3' ' A' ' 22' ' ' TYR . 22.3 mmt 61.82 -167.3 0.2 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.178 -1.374 . . . . 0.0 111.249 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.03 79.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 p 49.97 24.33 1.32 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.837 0.855 . . . . 0.0 111.827 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.74 100.28 12.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.628 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -136.47 102.94 5.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.197 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 58' ' ' VAL . 29.9 mt -105.68 65.96 0.72 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.51 176.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.2 p -55.02 -33.27 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.966 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -76.04 -45.3 35.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.653 0.263 . . . . 0.0 110.704 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.71 99.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.689 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -58.9 -50.42 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.156 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 p -68.68 -39.54 80.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.369 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.5 mt -68.26 -38.29 81.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.502 0.191 . . . . 0.0 111.199 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.7 tp -71.82 -39.02 70.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.394 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' HA ' HD21 ' A' ' 14' ' ' LEU . 19.6 ttt85 -69.84 -18.62 63.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.669 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -94.35 -2.68 51.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.666 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.79 42.44 97.09 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.775 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -106.07 -36.53 6.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.826 0.346 . . . . 0.0 111.182 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.8 pt -103.31 152.9 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.6 p -84.85 162.55 19.48 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.541 ' O ' HG22 ' A' ' 55' ' ' VAL . 61.3 t -58.56 -34.65 51.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.189 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.551 ' HD2' HG22 ' A' ' 122' ' ' THR . 1.0 OUTLIER -55.4 -49.77 71.47 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.415 0.626 . . . . 0.0 110.422 177.471 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.66 -33.67 72.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.82 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -66.37 -37.97 86.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.142 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 51' ' ' VAL . 53.1 t -57.46 -42.52 80.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.675 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 53.6 ttp180 -56.35 -51.84 66.8 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.955 0.407 . . . . 0.0 110.46 177.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.91 -44.21 91.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.593 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.464 ' HA ' HD12 ' A' ' 37' ' ' LEU . 59.5 t -73.47 -38.19 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.557 0.218 . . . . 0.0 111.495 -176.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.73 79.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 18.8 ptpt -113.11 17.34 18.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 110.921 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.0 p -55.65 -70.41 0.11 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.642 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 63' ' ' LEU . 6.7 tp10 -92.91 171.36 9.01 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 9.6 mp -51.92 108.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.038 0.447 . . . . 0.0 110.498 176.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -69.29 -14.36 62.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.141 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.644 ' HG3' HD21 ' A' ' 69' ' ' LEU . 37.1 ttpt -80.81 73.3 7.8 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.632 0.73 . . . . 0.0 109.17 175.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -99.11 -75.72 0.56 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.079 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -131.36 -48.95 0.99 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.914 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -73.93 82.29 1.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.457 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.644 HD21 ' HG3' ' A' ' 65' ' ' LYS . 22.9 tp -178.03 -70.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.348 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -93.63 -26.29 17.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.452 . . . . 0.0 110.121 177.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.05 30.12 10.45 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.482 ' OD1' ' HB3' ' A' ' 76' ' ' ARG . 8.7 t-20 -161.28 -171.55 3.06 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.534 ' O ' HG23 ' A' ' 77' ' ' VAL . 99.3 m-85 -111.5 139.93 46.52 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' O ' HG13 ' A' ' 78' ' ' ILE . 85.1 mm-40 -56.74 -41.7 77.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.323 0.389 . . . . 0.0 110.982 -176.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -58.97 -43.45 91.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.834 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.54 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 12.5 tpt180 -69.65 -40.58 76.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.159 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 73' ' ' PHE . 96.1 t -59.74 -44.94 94.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 74' ' ' GLN . 93.1 mt -60.73 -42.71 93.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.732 178.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.11 -37.54 87.83 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.5 mt -59.92 -50.37 74.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.485 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.98 -43.32 99.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.513 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.482 ' HD2' ' O ' ' A' ' 88' ' ' ARG . 1.3 t80 -57.84 -48.99 78.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.546 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -77.4 -19.92 55.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.264 -0.426 . . . . 0.0 112.103 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -94.98 -30.59 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.424 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.9 mt -101.89 -27.21 13.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.9 mt -112.31 -12.41 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.95 0.405 . . . . 0.0 110.711 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.76 14.82 81.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.372 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.482 ' O ' ' HD2' ' A' ' 82' ' ' TYR . 42.7 ttm180 -145.94 156.16 43.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -93.54 155.17 40.97 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.694 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.05 157.1 14.16 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.982 2.455 . . . . 0.0 112.712 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -98.5 -34.88 10.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.545 -175.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -142.51 168.38 19.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.788 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.448 ' O ' HG12 ' A' ' 97' ' ' ILE . 32.9 tt0 -58.85 -27.16 64.87 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.805 0.442 . . . . 0.0 110.822 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.5 m -56.67 -41.76 77.83 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -174.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.57 -43.27 99.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.905 0.383 . . . . 0.0 110.417 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.59 -46.13 93.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.081 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 93' ' ' GLU . 46.5 mm -61.16 -40.41 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.016 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.38 -44.42 95.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -72.39 -30.92 65.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.998 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.03 -44.9 94.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.35 174.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.21 -40.68 98.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.875 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.09 -40.79 96.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.985 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.68 -31.54 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.838 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.4 -33.02 37.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -73.13 -55.29 6.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.911 0.386 . . . . 0.0 111.257 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -120.21 -37.64 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.539 -174.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.98 -162.47 16.77 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.499 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -74.72 -33.0 62.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.965 0.506 . . . . 0.0 110.724 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.484 ' CG ' ' HZ2' ' A' ' 60' ' ' LYS . 8.1 t70 -60.04 -46.27 90.08 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.419 0.628 . . . . 0.0 110.383 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.74 68.08 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.896 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.59 -48.59 71.96 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 76.7 mt -58.93 -49.71 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.722 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.551 ' HA ' HD12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -58.07 -23.08 53.18 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 m -66.1 -34.04 77.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.725 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -76.92 -10.19 59.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' A' ' 113' ' ' ASP . 31.6 mt -92.66 -57.82 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.345 -174.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -75.61 -8.7 57.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.172 -172.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.4 t -50.09 109.63 1.36 Allowed Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.887 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.22 -53.79 1.04 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.054 2.503 . . . . 0.0 113.664 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -34.67 73.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.684 0.278 . . . . 0.0 110.962 -172.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -70.26 -40.95 74.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.75 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.551 HG22 ' HD2' ' A' ' 52' ' ' ARG . 99.4 m -61.82 -51.85 66.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.771 0.32 . . . . 0.0 111.165 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -68.92 -43.98 74.06 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -175.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.4 t -80.53 -47.81 13.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 84.0 t80 -83.91 -39.19 20.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -172.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.571 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 159.23 127.7 0.93 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 119.643 -1.265 . . . . 0.0 113.441 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -51.14 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.06 0.457 . . . . 0.0 110.432 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -102.43 18.92 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.021 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.571 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 59.0 t -102.97 138.99 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.558 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.512 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 58.8 t -85.03 125.21 71.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.516 177.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.467 ' HA ' ' CE2' ' A' ' 125' ' ' PHE . 7.1 Cg_endo -49.39 110.86 0.4 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.714 2.943 . . . . 0.0 113.755 -176.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -106.35 167.16 10.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.512 175.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -65.75 100.9 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 0.0 110.467 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -97.67 90.57 5.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.843 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -70.81 117.59 7.07 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.785 -0.722 . . . . 0.0 111.877 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 63.0 tp -89.0 106.26 18.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 137' ' ' GLU . 1.2 pm0 -77.03 117.35 18.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.491 0.662 . . . . 0.0 111.064 -176.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -55.55 132.63 49.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.599 176.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -131.16 158.79 39.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -100.11 84.11 2.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.378 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 53.13 -95.76 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.458 -174.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -159.5 20.73 0.18 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 . . . . . 0 C--O 1.244 0.812 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.777 178.701 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.534 ' HA ' ' CE1' ' A' ' 132' ' ' TYR . 9.3 Cg_exo -70.39 116.13 4.49 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.572 2.181 . . . . 0.0 110.658 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.8 t -69.48 98.94 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.895 0.378 . . . . 0.0 110.299 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -117.27 153.2 33.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.261 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.496 HD12 HG21 ' A' ' 17' ' ' VAL . 12.3 tp -119.89 99.29 6.54 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.505 ' O ' ' HE3' ' A' ' 9' ' ' TRP . 20.7 ptt180 -84.66 162.19 19.81 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.077 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.3 36.46 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -166.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' ' 6' ' ' ARG . 22.9 t-20 -168.97 77.26 0.11 Allowed 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 172.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.505 ' HE3' ' O ' ' A' ' 6' ' ' ARG . 12.9 p90 -111.14 166.38 11.12 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.764 -169.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -98.23 159.03 15.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.17 -24.73 65.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.106 0.479 . . . . 0.0 110.351 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.49 -38.51 91.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.919 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -67.75 -39.78 84.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.383 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.734 ' HG ' ' HG3' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -59.12 -47.22 86.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.538 176.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.43 -39.04 78.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.3 m -59.98 -44.72 94.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.377 176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG21 HD12 ' A' ' 5' ' ' LEU . 72.2 t -61.42 -47.79 91.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.579 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 92.2 mt -55.13 -51.93 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.885 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -63.1 -27.21 69.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.482 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.04 -36.45 56.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.648 0.261 . . . . 0.0 111.085 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 17' ' ' VAL . 88.8 t -72.47 -48.42 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.722 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' HD1' ' O ' ' A' ' 18' ' ' ILE . 87.4 m-85 -73.66 -25.65 60.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 61.4 32.47 19.01 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.653 0.74 . . . . 0.0 110.143 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -78.86 79.64 5.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.142 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -93.39 -18.33 7.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.724 0.773 . . . . 0.0 109.043 172.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -173.07 -44.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.191 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.51 -95.5 2.05 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.787 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -152.84 151.56 30.56 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -81.91 47.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.492 0.663 . . . . 0.0 110.664 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -138.02 168.26 20.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.706 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.448 ' C ' ' H ' ' A' ' 33' ' ' ALA . 21.3 t -59.46 -76.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.303 0 O-C-N 123.076 0.235 . . . . 0.0 110.74 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.4 ttp 72.5 -32.4 0.25 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.42 0.688 . . . . 0.0 112.169 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 31' ' ' VAL . . . 71.97 161.96 0.25 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.661 0.784 . . . . 0.0 111.578 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.4 m -93.95 132.74 38.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.957 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.606 ' HG3' ' HG ' ' A' ' 37' ' ' LEU . 10.0 tp10 -82.13 156.15 24.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.203 0.525 . . . . 0.0 110.506 -174.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.36 33.76 0.98 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.07 -173.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.606 ' HG ' ' HG3' ' A' ' 35' ' ' GLU . 81.2 mt -85.16 8.64 17.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.866 0.365 . . . . 0.0 110.809 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.01 -25.34 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.929 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 22.5 m -60.3 -48.28 82.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.913 0.387 . . . . 0.0 110.387 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.5 89.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.231 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.13 -41.15 87.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.924 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -68.79 -42.8 76.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.982 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.446 HD23 ' HD2' ' A' ' 48' ' ' LYS . 95.6 mt -61.34 -37.65 84.08 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.4 tp -72.51 -40.14 67.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.584 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.734 ' HG3' ' HG ' ' A' ' 14' ' ' LEU . 25.4 ttp180 -69.67 -33.35 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.339 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -80.27 -23.43 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.045 0.45 . . . . 0.0 110.476 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.68 54.28 1.45 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.532 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' HD2' HD23 ' A' ' 43' ' ' LEU . 24.7 ttmm -116.25 -47.56 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.914 0.388 . . . . 0.0 110.609 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.5 pt -106.3 161.92 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.415 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -87.04 174.51 8.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.462 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' ' 55' ' ' VAL . 83.9 t -65.89 -36.67 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.974 ' HD3' HG23 ' A' ' 122' ' ' THR . 5.3 ttp180 -60.31 -41.87 94.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 176.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -62.82 -38.32 90.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.019 0.438 . . . . 0.0 110.772 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -66.33 -50.7 62.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.304 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 51' ' ' VAL . 84.7 t -58.66 -43.09 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.692 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.499 ' HB2' HG21 ' A' ' 116' ' ' ILE . 20.9 ttt180 -52.29 -53.52 43.13 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.847 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.53 56.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.063 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.61 -35.06 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.609 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.41 79.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -99.9 10.81 40.69 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.489 -0.484 . . . . 0.0 112.206 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 p -98.11 -24.62 15.23 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.967 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.76 170.31 16.7 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.068 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.57 75.21 2.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.196 0.522 . . . . 0.0 110.942 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.709 ' HA ' ' HD2' ' A' ' 68' ' ' PHE . 48.4 p90 -62.35 -25.06 67.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.398 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' HD2' HD22 ' A' ' 69' ' ' LEU . 21.3 tptm -80.51 -6.72 58.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.243 -177.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -122.99 -59.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.943 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -40.81 96.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.678 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.709 ' HD2' ' HA ' ' A' ' 64' ' ' TYR . 83.6 m-85 -94.3 -59.18 2.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 111.573 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD22 ' HD2' ' A' ' 65' ' ' LYS . 19.3 tp -70.68 -21.49 62.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.895 -167.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -113.07 105.34 13.35 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.908 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 164.98 -62.86 0.24 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.529 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.428 ' CG ' ' H ' ' A' ' 73' ' ' PHE . 7.3 t-20 -125.81 -166.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -175.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.428 ' H ' ' CG ' ' A' ' 72' ' ' ASN . 94.0 m-85 -70.57 146.45 50.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.356 -175.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -52.09 -39.52 59.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.759 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.458 HG22 HG13 ' A' ' 96' ' ' VAL . 6.0 m -58.33 -40.61 82.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.275 0.56 . . . . 0.0 111.013 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.538 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 13.8 mmm-85 -79.42 -23.6 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.055 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 84.1 t -63.51 -37.04 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.359 0.599 . . . . 0.0 109.515 173.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.47 HD13 HG11 ' A' ' 96' ' ' VAL . 77.3 mt -64.0 -43.55 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.074 174.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -57.5 -36.51 71.6 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.455 175.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 86.0 mt -63.71 -46.73 84.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.889 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -76.84 -28.21 55.4 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.968 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -65.09 -45.78 83.78 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.018 0.437 . . . . 0.0 109.975 178.496 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -78.7 -17.77 55.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.409 ' CD2' ' HZ ' ' A' ' 68' ' ' PHE . 60.7 t-80 -74.73 -30.6 61.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 0.0 109.952 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.541 HD13 HG22 ' A' ' 112' ' ' ILE . 76.8 mt -101.02 -51.18 3.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.161 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.645 ' HA ' ' HB2' ' A' ' 131' ' ' PRO . 38.6 mt -112.02 -3.38 14.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -171.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.97 31.35 76.08 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.824 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -130.13 148.14 51.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.669 0.388 . . . . 0.0 110.252 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.25 153.57 37.98 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.35 119.73 6.84 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.623 2.215 . . . . 0.0 111.788 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -74.96 -41.64 59.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.131 0.491 . . . . 0.0 110.399 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -126.97 -179.83 5.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.329 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 97' ' ' ILE . 40.7 tt0 -87.28 -18.54 29.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.551 -176.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.0 m -66.14 -36.85 84.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.222 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.67 -38.34 81.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.219 0.533 . . . . 0.0 110.117 173.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.47 HG11 HD13 ' A' ' 78' ' ' ILE . 99.8 t -66.24 -51.08 63.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.203 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 93' ' ' GLU . 85.6 mt -54.77 -44.53 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.109 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.5 -42.03 86.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.969 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -74.26 -33.92 63.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 95.3 mt -59.62 -49.63 76.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.0 110.215 175.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.89 -37.5 84.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.639 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.494 ' CD2' ' HA ' ' A' ' 111' ' ' ASP . 21.3 tp -62.08 -44.68 96.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.662 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.99 -44.74 96.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.002 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 45.2 mt-10 -59.14 -47.86 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 111.371 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -89.93 -51.65 5.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.18 -172.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -92.22 -35.95 13.53 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.61 174.63 18.91 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.011 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -78.04 -29.92 49.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.129 0.49 . . . . 0.0 109.916 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 7.5 p-10 -63.05 -38.2 90.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.203 177.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.87 -25.4 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.301 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.494 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 25.3 t70 -60.42 -47.6 85.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.712 176.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.541 HG22 HD13 ' A' ' 85' ' ' LEU . 43.9 mt -70.72 -35.23 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.704 174.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.418 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 7.4 t70 -66.1 -30.97 71.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.571 -174.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.2 p -55.01 -33.28 62.47 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.701 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.409 ' HD2' HD12 ' A' ' 86' ' ' LEU . 80.3 m-85 -68.2 -55.14 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.136 0.493 . . . . 0.0 110.046 178.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.499 HG21 ' HB2' ' A' ' 56' ' ' ARG . 48.3 mm -63.4 -33.9 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.093 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.88 -5.95 50.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.211 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.5 t -95.52 104.68 16.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.877 0.37 . . . . 0.0 110.452 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.63 -48.9 4.91 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.874 2.382 . . . . 0.0 112.812 -175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.3 -54.6 30.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.508 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -69.27 -22.41 63.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.85 -173.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.974 HG23 ' HD3' ' A' ' 52' ' ' ARG . 68.8 m -80.29 -40.29 27.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.209 172.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -66.43 -35.89 81.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.976 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.8 p -66.39 -29.57 69.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.562 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' A' ' 131' ' ' PRO . 1.2 t80 -91.87 -38.76 12.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.914 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 146.23 118.46 1.13 Allowed Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.712 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.5 -29.29 30.58 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -111.4 16.06 21.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.233 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.914 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 60.8 t -119.03 139.94 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.781 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.427 ' CG2' HG11 ' A' ' 17' ' ' VAL . 61.3 t -84.46 115.85 62.36 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.451 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.645 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 6.7 Cg_exo -73.61 93.42 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.742 2.295 . . . . 0.0 111.971 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.534 ' CE1' ' HA ' ' A' ' 2' ' ' PRO . 27.0 p90 -92.92 178.29 5.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.202 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -57.5 130.73 47.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.85 0.357 . . . . 0.0 110.427 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 134' ' ' ARG . 46.1 mtp180 -77.8 46.11 0.55 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.997 0.427 . . . . 0.0 111.586 -175.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.68 26.87 40.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.331 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 63.1 tp -122.82 91.78 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 110.522 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -165.05 112.51 1.0 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.885 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -85.2 107.02 17.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -50.85 -34.64 28.76 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.194 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -122.12 128.63 51.53 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -131.84 175.62 9.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.86 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -66.73 -74.46 0.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.709 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.7 m80 . . . . . 0 C--O 1.248 1.02 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.885 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.588 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 1.6 mpt? . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 110.616 -0.142 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.588 ' HD2' ' H1 ' ' A' ' 1' ' ' MET . 83.6 Cg_endo -77.24 178.83 7.14 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.896 1.731 . . . . 0.0 110.529 170.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 17' ' ' VAL . 21.1 t -67.35 98.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.041 177.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' OE2' ' HD2' ' A' ' 2' ' ' PRO . 12.3 pt-20 -135.63 137.29 41.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.844 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.5 tp -93.16 117.36 29.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -89.52 169.42 11.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.053 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.84 -54.76 42.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.433 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.02 76.69 6.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.975 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -82.83 168.36 17.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 p -128.4 177.42 6.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.095 177.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -61.8 -53.12 60.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -173.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -32.35 62.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -62.02 -50.72 70.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.972 177.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD21 ' HA ' ' A' ' 45' ' ' ARG . 54.3 tp -61.37 -44.41 97.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.956 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.27 -35.22 80.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.638 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -64.3 -37.65 88.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.899 0.38 . . . . 0.0 110.291 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.494 HG13 ' CG2' ' A' ' 130' ' ' VAL . 63.3 t -61.24 -52.88 56.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.27 174.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.464 HD13 ' HG2' ' A' ' 41' ' ' GLU . 76.1 mt -60.05 -44.28 94.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.92 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -59.97 -35.9 75.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.166 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.24 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.185 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.43 -43.82 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.568 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -74.39 -59.93 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.665 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 66.57 11.59 8.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.934 0.873 . . . . 0.0 109.352 -170.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -89.96 97.03 10.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.859 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.19 -32.78 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.922 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' ' 26' ' ' LEU . 4.9 mp -81.45 90.5 6.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.17 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.59 -24.13 29.13 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.217 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 57.8 61.43 2.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.478 0.656 . . . . 0.0 110.084 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.72 95.86 0.16 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.117 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -178.53 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.695 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -139.66 152.49 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.76 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -165.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.34 176.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 76.58 -42.36 0.43 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.702 0.801 . . . . 0.0 110.599 -175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -67.39 -42.83 82.71 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 170.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -95.99 113.58 25.21 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.396 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -138.22 10.95 2.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.794 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD21 ' CB ' ' A' ' 61' ' ' SER . 66.7 mt -122.3 10.72 9.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -177.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 p -57.69 -27.11 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.711 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.602 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.5 m -60.39 -48.56 81.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.187 175.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HA ' HD13 ' A' ' 43' ' ' LEU . . . -67.5 -37.74 83.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' HG2' HD13 ' A' ' 18' ' ' ILE . 1.1 tm-20 -59.69 -45.02 93.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.965 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -65.6 -30.4 71.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.847 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.0 mt -66.72 -44.75 80.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.517 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -76.07 -34.38 59.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.567 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.519 ' HA ' HD21 ' A' ' 14' ' ' LEU . 39.1 ttp180 -66.28 -35.72 81.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.323 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -76.25 -31.89 58.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.949 174.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.98 30.81 16.38 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.437 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 19.6 ptpt -96.76 -5.09 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.135 0.493 . . . . 0.0 110.88 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 pt -131.7 165.54 31.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.9 p -95.47 172.38 8.11 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.452 ' O ' HG21 ' A' ' 55' ' ' VAL . 96.5 t -68.11 -30.83 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.67 ' HG3' HG22 ' A' ' 122' ' ' THR . 12.1 ttm180 -54.07 -51.37 64.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.143 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -66.69 -40.7 88.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.48 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.64 -50.14 74.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.059 -178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 51' ' ' VAL . 63.8 t -60.57 -41.31 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.82 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.519 ' HB2' HG22 ' A' ' 116' ' ' ILE . 2.7 ttt180 -59.69 -49.72 76.64 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.216 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.84 82.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.015 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.72 -49.63 72.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.255 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.87 -29.86 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -93.11 8.91 38.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.48 ' CB ' HD21 ' A' ' 37' ' ' LEU . 74.1 m -115.61 85.2 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -170.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 69.48 -64.2 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 156.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.1 mt -42.4 113.09 0.41 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -164.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 61.69 23.18 13.55 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.461 172.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.712 ' HG2' ' HB3' ' A' ' 69' ' ' LEU . 78.2 tttt 63.65 79.49 0.26 Allowed 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 123.733 0.645 . . . . 0.0 109.869 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 57.21 43.05 24.46 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.56 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.7 tttp 73.91 -48.53 0.67 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.211 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -172.19 83.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 110.879 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.712 ' HB3' ' HG2' ' A' ' 65' ' ' LYS . 45.6 tp -91.74 129.47 37.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.993 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.567 ' CD2' ' HG ' ' A' ' 69' ' ' LEU . 90.3 m-85 68.7 -175.69 0.2 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.775 0.672 . . . . 0.0 111.238 -176.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.75 -24.37 5.78 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.367 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -166.61 -60.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.886 0.374 . . . . 0.0 110.66 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.429 ' HD2' ' OG1' ' A' ' 75' ' ' THR . 0.2 OUTLIER -149.9 144.71 26.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.128 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.12 -25.87 66.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.216 0.531 . . . . 0.0 110.483 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.429 ' OG1' ' HD2' ' A' ' 73' ' ' PHE . 21.5 p -62.72 -34.76 77.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.71 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -65.93 -32.88 74.63 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.96 0.409 . . . . 0.0 110.534 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.4 -43.4 97.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.632 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.428 HD11 HG11 ' A' ' 96' ' ' VAL . 59.8 mt -64.38 -35.5 74.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.217 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.25 -50.24 74.44 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.27 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.24 -45.7 90.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.497 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.452 ' OD1' HD13 ' A' ' 85' ' ' LEU . 54.5 t-20 -57.18 -59.83 4.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.414 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.482 ' HD1' ' O ' ' A' ' 88' ' ' ARG . 3.2 t80 -57.14 -48.18 79.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.184 -176.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 88' ' ' ARG . 36.9 ttmt -71.39 -30.83 66.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.071 -171.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -91.49 -29.21 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.672 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 HD11 HG23 ' A' ' 112' ' ' ILE . 39.5 mt -90.35 -28.4 18.74 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.825 -176.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.4 mt -110.96 -19.69 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.48 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.02 15.1 81.62 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 120.478 -0.867 . . . . 0.0 111.398 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.514 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 8.2 ttt180 -128.09 150.87 49.77 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -177.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB3' ' HE2' ' A' ' 83' ' ' LYS . . . -101.45 148.74 35.63 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.749 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.79 117.91 3.06 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.834 2.356 . . . . 0.0 111.701 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -105.24 -34.49 7.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.958 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -127.39 151.31 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.13 -35.68 81.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.521 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.3 t -63.38 -30.25 71.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.778 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.44 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 46.3 mt-10 -61.74 -46.61 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.301 0.572 . . . . 0.0 109.546 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.428 HG11 HD11 ' A' ' 78' ' ' ILE . 58.7 t -65.15 -50.37 74.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.812 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.5 -44.14 92.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -61.24 -41.3 96.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.941 0.401 . . . . 0.0 110.972 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.44 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 69.1 m-70 -76.11 -28.98 57.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.519 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 91.9 mt -60.58 -40.38 91.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.247 0.546 . . . . 0.0 109.753 172.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.33 -48.84 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.424 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 111' ' ' ASP . 44.5 tp -59.35 -44.98 92.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.977 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -58.14 -55.75 30.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.152 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -76.16 -18.57 59.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -171.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -93.9 -45.46 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -105.09 -35.85 7.48 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.402 -176.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.44 164.42 9.94 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.077 -1.059 . . . . 0.0 113.109 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -58.05 -48.82 78.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.94 -24.59 58.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.319 -174.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.36 82.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.118 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.455 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 31.3 t70 -69.0 -54.11 16.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.067 175.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.471 HG23 HD11 ' A' ' 85' ' ' LEU . 78.2 mt -52.26 -32.87 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.52 0.676 . . . . 0.0 110.776 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.26 -38.87 92.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.501 -177.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.2 p -63.22 -27.71 69.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.654 0.264 . . . . 0.0 111.699 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -68.5 -48.17 65.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.294 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.519 HG22 ' HB2' ' A' ' 56' ' ' ARG . 51.1 mm -74.61 -25.34 19.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.613 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -75.54 -19.48 59.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.502 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.9 p -61.81 108.1 1.43 Allowed Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 121.155 0.502 . . . . 0.0 111.197 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.74 -55.23 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.218 1.945 . . . . 0.0 112.685 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.3 -54.65 42.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.77 -176.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -65.38 -51.75 58.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.137 -175.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.67 HG22 ' HG3' ' A' ' 52' ' ' ARG . 88.4 m -61.45 -49.9 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.34 -28.39 67.11 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.272 -174.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.9 t -84.69 -37.06 21.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.625 0.25 . . . . 0.0 110.945 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -75.13 -38.47 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.454 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.771 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 153.0 120.88 0.84 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -91.38 -26.48 18.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.625 0.726 . . . . 0.0 109.232 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -111.45 6.83 20.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.783 173.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.771 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 60.2 t -103.27 140.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.645 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.494 ' CG2' HG13 ' A' ' 17' ' ' VAL . 94.4 t -81.91 130.58 60.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.457 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.87 93.88 0.08 OUTLIER 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.916 2.411 . . . . 0.0 112.376 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -101.37 154.33 18.89 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.551 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.4 112.71 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -72.43 -72.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.315 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 70.29 -92.46 0.41 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.198 -0.525 . . . . 0.0 113.006 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.2 tp -115.42 128.89 56.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.768 0.318 . . . . 0.0 110.332 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -71.44 104.8 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.868 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -114.2 100.37 8.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -145.59 169.78 17.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -173.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.75 130.6 54.44 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -44.53 119.56 1.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.945 0.778 . . . . 0.0 111.713 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -96.73 178.39 5.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.08 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.776 177.386 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -80.16 176.04 9.71 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.654 2.236 . . . . 0.0 111.818 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.44 121.52 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -139.93 141.67 36.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 -173.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.596 HD11 ' CD1' ' A' ' 9' ' ' TRP . 64.8 tp -98.84 113.7 25.94 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -123.08 -168.67 1.8 Allowed 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.523 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.437 ' C ' ' H ' ' A' ' 9' ' ' TRP . . . -67.13 -6.8 19.13 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.59 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -85.25 33.48 0.55 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.596 ' CD1' HD11 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -49.37 112.07 0.58 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.345 -178.377 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 43.4 t -144.76 173.01 12.21 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.425 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -57.13 -50.29 73.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.44 -50.59 70.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.988 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.458 ' O ' HG22 ' A' ' 17' ' ' VAL . 3.6 t70 -56.07 -59.81 4.38 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.804 -176.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 HD21 ' HG3' ' A' ' 45' ' ' ARG . 40.5 tp -60.41 -49.31 78.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.831 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -63.07 -40.41 97.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.737 -174.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.1 m -59.23 -40.42 85.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.952 0.406 . . . . 0.0 110.427 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.539 HG21 ' HB2' ' A' ' 5' ' ' LEU . 96.4 t -64.97 -52.11 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.738 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.99 -44.62 98.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.048 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.483 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 20.4 mtp180 -65.64 -35.85 81.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.65 -29.44 70.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.118 0.485 . . . . 0.0 110.799 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 17' ' ' VAL . 87.1 t -73.44 -37.99 52.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.914 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -102.2 -87.84 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.207 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.482 ' HB3' ' HB2' ' A' ' 26' ' ' LEU . 85.4 mtt180 -135.81 107.56 7.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.483 ' HA ' ' HB3' ' A' ' 19' ' ' ARG . 33.1 tt0 -65.71 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.521 -172.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 t -109.04 48.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.753 0.787 . . . . 0.0 109.696 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.482 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 3.1 mm? -122.5 117.12 25.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.799 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.4 172.47 30.36 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.408 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -138.5 142.3 39.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.19 -65.14 0.73 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.06 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -92.68 70.2 4.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.882 0.372 . . . . 0.0 110.415 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.18 -49.02 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.657 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 66.9 mtm 63.44 -75.97 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.285 0.634 . . . . 0.0 111.619 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.95 -40.84 0.44 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.501 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.0 p 49.42 70.7 0.45 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.648 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.73 103.96 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.896 177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.733 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -105.68 90.08 3.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.578 -176.638 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 HD12 HG22 ' A' ' 58' ' ' VAL . 91.0 mt 53.07 53.5 11.88 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.408 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.23 -25.89 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.19 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.1 p -64.23 -48.74 74.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.236 0.541 . . . . 0.0 110.083 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.69 -40.34 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.707 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.84 -33.8 76.87 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.506 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.1 m -62.44 -44.32 96.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 0.0 110.273 174.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' HB3' HG21 ' A' ' 49' ' ' ILE . 95.9 mt -57.16 -33.25 67.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 tp -84.12 -49.02 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.982 0.42 . . . . 0.0 111.405 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HG3' HD21 ' A' ' 14' ' ' LEU . 48.9 ttm-85 -70.65 -22.99 62.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.679 -173.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -94.62 -0.04 54.77 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.61 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.93 54.12 4.63 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 114.197 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -116.44 -48.72 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.199 0.499 . . . . 0.0 112.048 175.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 43' ' ' LEU . 49.1 pt -103.0 172.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.233 0.539 . . . . 0.0 112.221 -172.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.645 ' HB ' ' OD1' ' A' ' 127' ' ' ASP . 30.4 p -93.9 179.43 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.815 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.559 ' HB ' ' HA ' ' A' ' 128' ' ' TRP . 80.2 t -77.55 -38.75 26.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.864 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.522 ' HD3' HG23 ' A' ' 122' ' ' THR . 15.3 ptt180 -62.72 -30.91 71.77 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.151 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.24 -41.96 80.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.241 0.543 . . . . 0.0 109.792 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -61.92 -40.33 95.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.749 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.7 -44.27 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.506 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.61 ' HD2' ' OD1' ' A' ' 113' ' ' ASP . 16.1 ttp180 -58.28 -42.8 87.34 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.356 0.41 . . . . 0.0 111.131 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.52 -50.63 73.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.954 0.407 . . . . 0.0 110.813 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.412 HG22 HD12 ' A' ' 37' ' ' LEU . 12.1 t -73.96 -17.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.931 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.59 -11.05 49.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.185 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -114.57 10.7 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.16 0.505 . . . . 0.0 110.812 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.8 p -160.26 171.66 18.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.35 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.525 ' C ' ' H ' ' A' ' 64' ' ' TYR . 35.3 mm-40 65.24 176.74 0.2 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.585 0.553 . . . . 0.0 111.316 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.801 ' HB3' ' HE1' ' A' ' 68' ' ' PHE . 5.0 tt 72.18 -19.43 0.28 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.493 0.717 . . . . 0.0 111.036 177.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 62' ' ' GLU . 37.8 m-85 81.34 -177.15 0.06 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.349 1.06 . . . . 0.0 111.693 174.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HE2' ' HB2' ' A' ' 69' ' ' LEU . 12.2 mmmm 71.89 -13.05 0.61 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.547 0.739 . . . . 0.0 111.662 -176.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' H ' ' C ' ' A' ' 64' ' ' TYR . 48.4 mt-10 66.94 -71.82 0.09 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.668 0.787 . . . . 0.0 111.619 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.588 ' HD3' ' HE1' ' A' ' 103' ' ' TYR . 96.1 mttt -86.87 12.65 10.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.801 ' HE1' ' HB3' ' A' ' 63' ' ' LEU . 95.3 m-85 56.42 44.58 24.18 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.229 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.498 ' HB2' ' HE2' ' A' ' 65' ' ' LYS . 2.7 mm? -61.11 131.03 49.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.256 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.756 ' H ' HG21 ' A' ' 77' ' ' VAL . 91.3 t80 -85.31 -31.09 23.22 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.165 0.507 . . . . 0.0 109.656 172.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 155.41 -147.39 16.22 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.802 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.68 -42.81 89.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.483 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.458 ' O ' HG23 ' A' ' 77' ' ' VAL . 82.9 m-85 -80.21 99.36 7.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.944 -177.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -65.67 -25.91 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.126 0.489 . . . . 0.0 110.849 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.401 ' O ' ' HB ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -60.41 -44.18 95.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.065 176.617 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -73.11 -21.21 60.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.756 HG21 ' H ' ' A' ' 70' ' ' TYR . 33.0 t -67.05 -29.82 47.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.445 HG21 ' HA ' ' A' ' 96' ' ' VAL . 51.1 mm -66.24 -54.04 30.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.831 175.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.71 -41.08 63.61 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.274 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' ' 70' ' ' TYR . 4.1 tt -52.48 -59.43 4.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.129 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.869 ' HA ' ' HB3' ' A' ' 84' ' ' HIS . 56.6 m-80 -81.17 -20.91 40.23 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.524 ' CZ ' ' HA ' ' A' ' 90' ' ' PRO . 1.9 t80 -63.88 -41.61 97.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.416 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . 36.3 ttmt -83.11 -14.77 52.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.225 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.869 ' HB3' ' HA ' ' A' ' 81' ' ' ASN . 11.5 t-160 -84.36 -44.09 14.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.819 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.9 mt -104.28 -16.6 15.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.526 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 94.1 mt -117.81 -6.26 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 111.157 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.79 32.16 73.74 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.479 0.552 . . . . 0.0 114.479 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.744 HH21 ' HB2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -164.21 168.22 19.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.335 0.568 . . . . 0.0 111.184 177.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.91 156.96 82.2 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.27 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 32.2 Cg_exo -59.02 117.43 4.16 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.932 2.421 . . . . 0.0 111.939 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.744 ' HB2' HH21 ' A' ' 88' ' ' ARG . 15.1 t80 -86.53 -29.25 22.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.284 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 18.8 t70 -117.94 138.93 51.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.095 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -76.35 -29.16 57.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.172 -176.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 t -70.52 -27.51 64.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.416 ' HG2' ' HB3' ' A' ' 92' ' ' ASP . 33.3 mm-40 -56.25 -45.29 80.11 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.834 0.349 . . . . 0.0 110.065 172.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.445 ' HA ' HG21 ' A' ' 78' ' ' ILE . 49.0 t -59.26 -49.15 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.036 177.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.2 mt -58.77 -50.15 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.207 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -57.61 -45.35 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.474 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -73.88 -27.28 60.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.285 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 49.4 mt -68.26 -47.55 67.44 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 171.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.73 -44.88 93.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.793 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.0 tp -64.45 -49.13 72.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.542 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.588 ' HE1' ' HD3' ' A' ' 67' ' ' LYS . 24.4 t80 -56.74 -45.14 82.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.629 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.71 -52.61 56.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.749 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -80.23 -58.88 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -94.81 -9.68 33.74 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.791 -171.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.4 164.78 29.59 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.723 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.464 ' CE2' ' HD2' ' A' ' 68' ' ' PHE . 54.6 t80 -76.37 -28.68 56.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.019 0.438 . . . . 0.0 110.362 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -58.03 -44.78 87.53 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.968 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.32 -35.54 73.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.632 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.53 -45.41 91.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.155 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 40.3 mm -57.21 -43.76 82.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.61 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 78.3 m-20 -59.46 -32.4 70.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -62.08 -43.08 99.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.673 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -61.68 -48.08 82.41 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.257 0.551 . . . . 0.0 110.646 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.56 HG13 ' HB2' ' A' ' 56' ' ' ARG . 42.1 mm -71.64 -25.19 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.391 -174.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -79.62 -30.59 41.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.228 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 55.0 m -55.02 107.35 0.85 Allowed Pre-proline 0 CA--C 1.533 0.304 0 O-C-N 123.455 0.472 . . . . 0.0 112.067 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.33 -43.25 11.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.058 2.506 . . . . 0.0 113.024 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -51.98 -56.28 15.22 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 111.15 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -75.15 -38.02 61.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.437 -173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.522 HG23 ' HD3' ' A' ' 52' ' ' ARG . 88.3 m -66.43 -42.37 87.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.836 0.35 . . . . 0.0 111.194 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.89 -29.25 60.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.653 0.263 . . . . 0.0 111.392 -176.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.6 p -78.94 -37.74 38.93 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.262 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -84.71 -39.75 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.044 -0.263 . . . . 0.0 110.958 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.4 126.03 3.43 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.192 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.645 ' OD1' ' HB ' ' A' ' 50' ' ' THR . 15.6 t0 -64.05 -45.04 90.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.556 0.693 . . . . 0.0 110.353 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.559 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 79.8 m95 -94.19 17.59 12.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.89 -171.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.43 134.73 42.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.802 0.335 . . . . 0.0 110.852 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 77.5 t -77.33 125.67 86.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.937 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.647 ' HB3' ' HB2' ' A' ' 136' ' ' LEU . 73.2 Cg_exo -43.69 125.13 4.8 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 124.136 3.224 . . . . 0.0 114.843 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.491 ' HD1' ' O ' ' A' ' 133' ' ' TYR . 3.3 p90 -122.93 166.93 14.25 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 169.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.491 ' O ' ' HD1' ' A' ' 132' ' ' TYR . 41.7 t80 -67.12 137.02 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 77.76 17.36 1.37 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.84 0.856 . . . . 0.0 109.946 -172.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -140.18 -66.68 0.04 OUTLIER Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.138 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.647 ' HB2' ' HB3' ' A' ' 131' ' ' PRO . 90.7 mt -144.33 -43.05 0.25 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.045 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 68.33 151.38 0.08 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.579 0.752 . . . . 0.0 111.874 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.449 ' HB2' ' HB2' ' A' ' 131' ' ' PRO . 8.0 t-80 -164.71 21.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -65.82 160.99 21.92 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.322 0.582 . . . . 0.0 111.991 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -94.42 120.72 35.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.015 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -101.46 10.72 40.14 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.989 0.423 . . . . 0.0 110.357 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -113.99 112.97 24.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.005 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.9 p80 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.369 178.502 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.14 134.28 60.92 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.396 2.064 . . . . 0.0 111.59 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.71 117.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.392 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -140.46 158.85 43.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 tp -93.95 103.03 15.14 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -92.02 165.19 13.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.622 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.84 51.58 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.963 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.1 t30 173.72 74.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -121.08 156.62 31.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.702 -174.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -122.61 -178.79 4.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.158 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.98 -38.87 80.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 111.008 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.06 -44.66 95.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.371 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -64.36 -45.34 88.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.293 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.633 ' O ' HG12 ' A' ' 18' ' ' ILE . 36.0 tp -63.87 -44.57 92.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.669 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.21 -36.97 76.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.074 0.464 . . . . 0.0 110.365 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.5 m -60.38 -39.9 88.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.095 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.8 t -68.25 -42.52 84.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.259 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 14' ' ' LEU . 40.5 mm -54.4 -59.03 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.228 0.537 . . . . 0.0 110.519 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -69.39 -23.05 63.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.977 -175.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.61 67.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.944 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.36 -40.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.534 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.466 ' HH ' HD13 ' A' ' 37' ' ' LEU . 32.2 m-85 -76.0 -65.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.044 -178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -110.75 65.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.48 -170.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -85.53 -64.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.313 0.578 . . . . 0.0 109.931 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 p -130.24 143.68 40.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.927 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mp 58.96 40.03 22.93 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.916 0.389 . . . . 0.0 110.548 -175.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.07 44.67 2.4 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.436 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -95.03 98.21 10.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.727 ' HB3' ' HA ' ' A' ' 32' ' ' MET . 5.5 m-20 -51.81 -56.56 13.21 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.092 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 66.23 -76.21 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 O-C-N 124.091 0.869 . . . . 0.0 110.844 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.34 -1.03 7.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.322 0.582 . . . . 0.0 109.803 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.727 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 66.7 mtt 72.97 110.98 0.07 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.049 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.78 87.05 7.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 m -80.67 -26.66 37.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.898 -172.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -86.7 93.49 9.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.233 0.54 . . . . 0.0 111.32 -175.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -82.58 143.04 31.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.775 172.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 HD13 ' HH ' ' A' ' 22' ' ' TYR . 6.9 mp -76.44 87.21 3.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.26 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.45 -32.99 56.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.815 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.542 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 18.1 p -58.33 -57.57 12.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.401 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.35 98.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.459 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -59.49 -53.77 54.34 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.939 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 p -61.69 -38.77 89.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 111.324 -176.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.542 ' HG ' ' O ' ' A' ' 39' ' ' SER . 98.8 mt -63.98 -35.95 82.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.076 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.1 tp -82.92 -34.61 26.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.195 0.521 . . . . 0.0 110.437 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.412 ' HG3' ' CD2' ' A' ' 14' ' ' LEU . 34.9 ttt180 -68.58 -23.23 64.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.588 -175.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -98.57 -8.25 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.069 0.461 . . . . 0.0 110.043 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.17 33.74 28.28 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.915 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.515 ' HD3' HD22 ' A' ' 43' ' ' LEU . 58.1 tttp -87.61 -39.75 14.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.912 0.387 . . . . 0.0 110.471 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.7 pt -111.46 176.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.267 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -177.88 3.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG13 HG22 ' A' ' 55' ' ' VAL . 42.6 t -69.33 -26.83 32.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.76 -51.85 53.2 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.057 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -68.88 -41.02 78.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.653 0.263 . . . . 0.0 110.612 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.96 -47.74 85.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.236 -176.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.473 HG22 HG13 ' A' ' 51' ' ' VAL . 88.1 t -60.89 -47.16 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.481 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.498 ' HG3' HG13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.52 -42.52 92.42 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.101 0.477 . . . . 0.0 110.345 178.714 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -55.17 33.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.081 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.41 -36.63 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.07 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.72 71.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.559 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 49.3 mttp -94.47 -26.95 16.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.433 177.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 37' ' ' LEU . 34.2 m 51.36 -112.03 0.6 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -164.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -173.46 104.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.149 0.5 . . . . 0.0 110.247 168.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 24.8 tp 57.41 25.4 11.29 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.29 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.18 32.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.651 0.738 . . . . 0.0 109.866 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.496 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 57.0 pttt -78.54 9.62 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.531 -175.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.1 -25.35 66.91 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -118.19 -60.79 1.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -172.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -71.18 -33.53 70.06 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -171.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 65' ' ' LYS . 35.1 tp -91.1 -18.79 23.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.098 0.475 . . . . 0.0 110.101 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -84.87 76.84 10.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.332 0.587 . . . . 0.0 109.699 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.61 -169.22 22.87 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 55.67 -154.79 0.3 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.032 0.444 . . . . 0.0 110.625 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -132.46 159.54 39.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.571 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.495 ' O ' HG13 ' A' ' 78' ' ' ILE . 84.7 mm-40 -57.58 -37.42 73.13 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.333 0.396 . . . . 0.0 111.935 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 p -62.18 -39.39 92.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.971 0.415 . . . . 0.0 110.84 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -37.17 86.3 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.576 177.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.407 ' HA ' HD12 ' A' ' 80' ' ' LEU . 54.0 t -68.19 -38.67 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.536 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 74' ' ' GLN . 76.3 mt -60.08 -39.44 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.278 0.561 . . . . 0.0 110.274 176.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -63.02 -40.09 96.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.305 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 77' ' ' VAL . 92.6 mt -66.52 -59.27 3.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.865 -178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.449 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 31.3 p30 -64.32 -38.38 90.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -171.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -80.82 -24.85 38.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.457 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 34.0 ttmt -75.23 -15.11 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 173.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -95.02 -25.28 16.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.928 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.503 HD12 HG23 ' A' ' 112' ' ' ILE . 95.1 mt -94.82 -50.75 5.0 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.914 0.388 . . . . 0.0 111.796 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.1 mt -97.83 -18.09 18.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.16 0.505 . . . . 0.0 110.072 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 83' ' ' LYS . . . 80.37 22.25 63.04 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.371 -175.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.41 ' N ' ' HA ' ' A' ' 83' ' ' LYS . 42.4 ttm180 -152.68 145.75 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.554 0.216 . . . . 0.0 110.48 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.4 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -74.43 160.18 81.84 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.476 175.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.4 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 6.9 Cg_endo -50.02 149.64 11.32 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.148 2.565 . . . . 0.0 112.374 176.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -107.03 -39.52 5.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.763 -171.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.585 ' O ' HG22 ' A' ' 96' ' ' VAL . 28.8 t70 -127.55 143.8 51.14 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.875 -174.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.534 ' O ' HG12 ' A' ' 97' ' ' ILE . 40.6 tt0 -63.01 -37.0 85.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.627 -176.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 m -65.91 -38.87 89.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.759 0.314 . . . . 0.0 110.974 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.508 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 1.6 pp20? -75.43 -29.36 59.68 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.278 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.593 ' HA ' ' HD2' ' A' ' 99' ' ' HIS . 89.6 t -60.13 -44.6 95.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.937 0.399 . . . . 0.0 109.994 172.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 93' ' ' GLU . 51.6 mm -59.23 -36.99 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.344 177.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.418 ' HB3' ' O ' ' A' ' 95' ' ' GLU . 84.6 t80 -58.96 -41.35 87.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.909 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.593 ' HD2' ' HA ' ' A' ' 96' ' ' VAL . 82.8 m-70 -65.25 -42.64 93.08 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.229 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.98 -42.89 99.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.371 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.25 -46.78 85.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.036 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 111' ' ' ASP . 25.7 tp -66.11 -35.27 80.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.516 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.39 -39.95 95.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.807 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -83.4 -17.98 40.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.351 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -82.82 -58.21 2.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.655 0.264 . . . . 0.0 111.15 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -114.02 -37.06 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.418 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 128.93 -179.4 16.68 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.206 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -71.1 -21.54 62.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.152 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.559 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -58.71 -53.99 52.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.634 175.472 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.05 98.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.509 ' HA ' HD21 ' A' ' 102' ' ' LEU . 38.7 t70 -64.29 -34.31 77.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.956 0.407 . . . . 0.0 110.88 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 85' ' ' LEU . 76.8 mt -75.69 -31.2 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.958 0.408 . . . . 0.0 110.642 174.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -69.94 -21.62 63.25 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.471 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.4 p -58.36 -34.76 71.02 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.055 0.455 . . . . 0.0 110.928 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -64.22 -30.46 71.51 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.937 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.498 HG13 ' HG3' ' A' ' 56' ' ' ARG . 45.7 mm -92.2 -22.32 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.376 0.608 . . . . 0.0 110.078 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.489 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 22.7 t70 -75.24 -26.82 59.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.901 -177.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.5 m -84.63 97.41 0.49 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.281 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 17.9 Cg_endo -58.83 -48.45 14.58 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.901 2.401 . . . . 0.0 113.286 -167.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.62 -49.54 76.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.104 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -65.85 -47.29 75.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.456 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.7 m -61.7 -55.2 32.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.438 . . . . 0.0 111.238 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.662 ' HA ' ' HB2' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -64.37 -28.12 69.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.255 -172.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.5 m -65.78 -52.2 52.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.512 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 20.7 p90 -128.86 -12.91 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.514 -0.874 . . . . 0.0 113.22 -172.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -122.93 29.28 5.41 Favored Glycine 0 C--O 1.229 -0.166 0 C-N-CA 119.797 -1.192 . . . . 0.0 113.63 -174.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.662 ' HB2' ' HA ' ' A' ' 123' ' ' ASN . 22.9 t70 -101.34 -50.23 3.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.998 0.428 . . . . 0.0 110.289 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -111.27 -18.22 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.026 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.512 ' HB ' ' O ' ' A' ' 125' ' ' PHE . 25.8 t -104.0 148.38 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.259 -175.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 97.1 t -85.8 122.16 73.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.374 177.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.49 ' HB3' ' HE2' ' A' ' 125' ' ' PHE . 17.4 Cg_exo -66.76 114.72 3.24 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.875 2.384 . . . . 0.0 112.227 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -109.11 160.4 16.1 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.417 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 42.9 p90 -61.71 127.45 31.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.782 0.801 . . . . 0.0 111.827 -174.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -142.05 70.33 1.33 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.322 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.41 -1.45 85.92 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.05 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 62.2 tp -128.73 105.19 8.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.15 169.12 10.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.029 0.442 . . . . 0.0 110.275 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 139' ' ' HIS . 67.0 m170 -103.91 -177.88 3.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 138' ' ' HIS . 35.4 m-70 68.77 55.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.688 0.618 . . . . 0.0 109.63 -174.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -65.43 -24.77 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.836 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -75.42 118.29 18.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -63.41 160.61 15.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.567 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.578 -173.191 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ptp . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.116 0.484 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -93.61 177.51 1.23 Allowed 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.284 2.656 . . . . 0.0 111.488 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.53 99.22 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -139.24 138.74 37.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.603 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.7 tp -84.2 124.47 31.21 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -79.08 150.57 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.32 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.83 -50.29 73.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.316 0.579 . . . . 0.0 109.58 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.32 81.14 4.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -87.49 156.15 19.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.43 0.633 . . . . 0.0 111.425 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.431 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 2.9 m -116.93 169.13 9.63 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.076 176.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.34 -47.45 75.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.369 . . . . 0.0 110.664 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.76 -34.24 77.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.431 ' HB3' ' H ' ' A' ' 10' ' ' SER . 38.9 t70 -66.45 -51.6 55.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.978 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.67 -42.15 87.82 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.39 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.59 -46.51 83.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.7 m -56.85 -43.64 81.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' HG21 ' A' ' 21' ' ' VAL . 62.9 t -64.38 -58.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.241 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.14 -35.12 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.964 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -68.14 -38.16 81.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.639 0.257 . . . . 0.0 110.7 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.62 76.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.191 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 17' ' ' VAL . 86.3 t -65.66 -42.43 92.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.054 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -79.25 -64.75 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.931 0.396 . . . . 0.0 111.262 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HB2' HD21 ' A' ' 26' ' ' LEU . 8.5 mmm180 -144.96 101.5 3.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.449 -173.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -69.52 110.22 4.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 171.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.0 t 70.36 95.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.183 -172.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD21 ' HB2' ' A' ' 23' ' ' ARG . 2.1 pp -121.17 7.96 10.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.055 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.42 149.68 12.28 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.982 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -126.2 -13.02 6.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.715 0.293 . . . . 0.0 110.742 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -86.88 -23.28 25.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.349 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -136.33 -52.91 0.73 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.673 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t 69.34 114.38 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 O-C-N 123.598 0.561 . . . . 0.0 111.532 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mmt -92.38 130.76 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.21 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.37 -69.95 0.54 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.547 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.6 t 60.97 90.29 0.07 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.294 0.569 . . . . 0.0 110.216 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -74.88 105.33 5.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.262 -177.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -123.19 -77.16 0.59 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.042 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -100.55 46.57 0.95 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.205 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.21 -28.25 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.104 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.64 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 4.4 p -63.65 -51.56 64.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.561 176.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.38 95.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.713 -176.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -26.93 65.29 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.989 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.8 m -76.74 -41.0 46.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.28 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.64 ' HG ' ' O ' ' A' ' 39' ' ' SER . 86.1 mt -62.11 -39.13 91.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.693 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.28 -41.86 93.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.223 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.49 -41.91 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -79.14 -3.48 45.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.24 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.4 27.04 73.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.332 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.557 ' HD2' HD22 ' A' ' 43' ' ' LEU . 23.6 ttmm -87.83 -29.95 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.166 0.507 . . . . 0.0 110.212 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.9 pt -124.12 158.36 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.532 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.614 ' HB ' ' OD2' ' A' ' 127' ' ' ASP . 15.0 p -91.19 179.19 5.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.646 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.588 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 81.1 t -72.69 -33.2 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.666 ' HG3' HD12 ' A' ' 116' ' ' ILE . 3.4 tpp180 -64.86 -35.65 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' CD ' HH21 ' A' ' 56' ' ' ARG . 5.2 mm-40 -66.24 -40.67 90.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.809 177.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.482 ' O ' HG22 ' A' ' 58' ' ' VAL . 76.0 t80 -59.92 -44.32 94.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.054 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 51' ' ' VAL . 90.8 t -62.57 -43.08 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.625 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.62 ' HD3' HG13 ' A' ' 116' ' ' ILE . 10.0 ttp180 -60.45 -42.73 96.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.775 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.98 98.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.382 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 54' ' ' PHE . 83.8 t -68.99 -44.28 81.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.972 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB1' HD11 ' A' ' 112' ' ' ILE . . . -67.12 -43.69 81.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -174.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.566 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . 18.2 ptpt -92.71 8.36 39.58 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.6 p -84.49 -81.03 0.19 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.97 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.91 101.4 3.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.5 0.667 . . . . 0.0 111.579 -177.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.9 mt -110.63 -29.54 7.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.435 172.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 60.93 -161.2 0.29 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.991 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -93.34 79.02 4.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.986 0.422 . . . . 0.0 110.587 -178.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 8.6 tp10 -82.94 36.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.602 0.715 . . . . 0.0 109.734 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.657 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 7.4 mtpm? 68.6 -9.96 0.5 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.281 1.033 . . . . 0.0 113.126 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' CD1' ' HB3' ' A' ' 66' ' ' GLU . 26.5 p90 -85.02 -1.24 56.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.845 0.355 . . . . 0.0 111.335 -176.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.1 tp -113.73 -68.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.575 -175.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.657 ' CE1' ' HA ' ' A' ' 67' ' ' LYS . 32.0 p90 -63.83 -33.28 75.33 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.632 0.253 . . . . 0.0 111.534 -174.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.5 54.74 0.54 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.673 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.406 HD22 ' HG2' ' A' ' 76' ' ' ARG . 49.1 t30 -165.06 131.85 2.91 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 -177.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -56.86 139.29 51.86 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.591 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -59.55 -29.87 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.957 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 p -60.59 -37.83 82.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.498 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 14.3 ttm180 -83.84 -23.72 31.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.691 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.56 -45.45 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.455 HD12 ' HB2' ' A' ' 99' ' ' HIS . 58.4 mt -63.61 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.25 174.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.27 -43.5 78.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.674 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 96.2 mt -65.39 -43.01 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.654 ' HB3' ' HE2' ' A' ' 115' ' ' TYR . 97.4 m-20 -59.05 -54.62 45.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.882 0.372 . . . . 0.0 110.659 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.85 -42.73 85.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.365 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 88' ' ' ARG . 43.6 tttm -77.95 -32.24 51.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.941 -171.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.66 -34.1 12.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.8 mt -91.16 -34.47 15.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.64 0.257 . . . . 0.0 111.677 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.1 mt -108.73 -6.66 15.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.689 0.281 . . . . 0.0 110.94 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.575 ' O ' ' HA ' ' A' ' 133' ' ' TYR . . . 60.06 50.1 71.33 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.661 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.51 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 13.6 ptp180 -167.19 174.79 7.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.748 0.309 . . . . 0.0 110.762 -176.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.36 159.05 30.57 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.77 132.56 46.98 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.397 2.065 . . . . 0.0 111.554 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -68.56 -48.03 65.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.108 0.48 . . . . 0.0 110.816 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 95' ' ' GLU . 10.5 t70 -132.68 154.72 49.87 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -75.69 -25.27 56.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.821 0.343 . . . . 0.0 110.119 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.7 m -63.61 -31.14 72.22 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 13.1 mm-40 -58.2 -50.46 73.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.987 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.558 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 61.9 t -56.21 -44.28 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.384 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 100' ' ' LEU . 48.2 mm -58.42 -46.51 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -62.52 -42.79 99.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.455 ' HB2' HD12 ' A' ' 78' ' ' ILE . 83.5 m-70 -66.62 -27.7 67.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.12 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 96.1 mt -61.25 -48.79 79.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.189 0.518 . . . . 0.0 109.646 173.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.56 -40.25 92.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.496 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.511 HD22 ' OG ' ' A' ' 114' ' ' SER . 40.7 tp -59.22 -43.97 92.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.5 -41.79 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.754 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -70.89 -35.82 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.412 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.33 -57.98 3.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -100.21 -36.52 9.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.883 0.373 . . . . 0.0 111.946 -169.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.29 175.21 14.72 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.307 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -73.99 -34.97 64.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.142 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.566 ' HB2' ' HB2' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -74.71 -26.17 59.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.053 0.454 . . . . 0.0 110.004 -177.296 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.3 -34.73 36.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.594 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -58.38 -42.06 86.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.364 0.602 . . . . 0.0 109.501 175.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.454 HD11 ' HB1' ' A' ' 59' ' ' ALA . 86.9 mt -66.37 -40.27 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.871 175.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.612 ' OD2' ' HD2' ' A' ' 56' ' ' ARG . 10.9 t70 -61.57 -32.35 72.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.284 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.511 ' OG ' HD22 ' A' ' 102' ' ' LEU . 12.1 m -61.31 -30.0 70.22 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.507 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.654 ' HE2' ' HB3' ' A' ' 81' ' ' ASN . 11.2 m-85 -69.12 -32.54 72.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 109.81 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.666 HD12 ' HG3' ' A' ' 52' ' ' ARG . 17.1 mm -82.56 -27.96 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.52 -176.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.435 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 28.3 t70 -74.87 -16.35 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.617 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -77.15 105.42 2.47 Favored Pre-proline 0 C--O 1.24 0.58 0 CA-C-O 121.345 0.593 . . . . 0.0 110.547 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 43.2 Cg_endo -69.01 -55.55 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.82 2.347 . . . . 0.0 113.546 -170.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.45 -40.01 92.93 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.976 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -62.52 -38.69 90.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.426 HG21 ' HE ' ' A' ' 52' ' ' ARG . 96.6 m -72.65 -41.84 65.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.865 0.365 . . . . 0.0 110.941 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.81 -52.64 23.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.056 -175.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.8 t -69.84 -17.32 63.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.597 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.719 ' HZ ' ' H ' ' A' ' 132' ' ' TYR . 47.4 t80 -89.49 -31.72 17.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.028 0.442 . . . . 0.0 110.586 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 100.48 109.18 3.1 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -175.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.614 ' OD2' ' HB ' ' A' ' 50' ' ' THR . 21.0 t70 -59.93 -37.38 79.34 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.47 ' HA ' HG21 ' A' ' 51' ' ' VAL . 48.2 m95 -79.03 -4.91 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.439 -171.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.02 123.28 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.888 0.375 . . . . 0.0 110.538 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.499 HG12 ' HD2' ' A' ' 131' ' ' PRO . 88.0 t -69.95 136.41 87.39 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.499 ' HD2' HG12 ' A' ' 130' ' ' VAL . 84.3 Cg_exo -20.3 95.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 1 C-N-CA 125.631 4.22 . . . . 0.0 114.794 -174.642 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.719 ' H ' ' HZ ' ' A' ' 125' ' ' PHE . 26.2 t80 -93.18 130.32 38.9 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.428 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.575 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 60.7 m-85 -78.7 98.89 6.39 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.419 0.628 . . . . 0.0 111.671 -176.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -128.94 85.82 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.62 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.36 -133.14 2.45 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.944 -175.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 62.8 tp -94.93 111.83 23.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.786 0.326 . . . . 0.0 111.353 -176.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.73 -77.43 0.32 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.073 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 13.3 t60 54.0 73.57 0.38 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.645 0.59 . . . . 0.0 109.99 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -67.61 179.84 1.26 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.287 -172.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 41.4 m80 77.25 -49.51 0.53 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.189 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -108.02 -39.38 5.53 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.142 -0.223 . . . . 0.0 111.562 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -115.01 142.76 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.829 0.347 . . . . 0.0 111.309 -175.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--O 1.247 0.962 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.259 170.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.528 ' SD ' ' HD2' ' A' ' 2' ' ' PRO . 16.0 tpt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.528 ' HD2' ' SD ' ' A' ' 1' ' ' MET . 14.8 Cg_endo -57.76 125.08 17.59 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.797 2.331 . . . . 0.0 112.185 177.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.508 HG13 HG22 ' A' ' 17' ' ' VAL . 38.7 t -81.2 123.53 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.667 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -100.05 158.38 15.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.116 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 tp -114.31 100.67 8.51 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.448 HH11 ' HD2' ' A' ' 6' ' ' ARG . 6.2 ptp85 -84.95 157.54 20.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.972 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.35 -33.28 75.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -104.34 87.46 2.74 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 172.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -103.54 164.29 11.76 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.366 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -102.38 155.11 18.46 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 170.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 32.8 tt0 -58.27 -45.07 88.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.539 0.209 . . . . 0.0 110.886 -175.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -59.94 -46.83 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.164 0.507 . . . . 0.0 110.599 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.92 -38.27 90.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.298 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 45' ' ' ARG . 40.3 tp -60.93 -47.36 86.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.89 176.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 43.4 mt-10 -66.1 -28.17 68.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.444 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.7 m -62.25 -38.88 90.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.045 0.45 . . . . 0.0 109.817 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.508 HG22 HG13 ' A' ' 3' ' ' VAL . 58.9 t -65.64 -51.32 64.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.307 176.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.99 -46.79 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.074 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 58.9 ttp180 -68.66 -23.77 64.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.223 -177.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.41 66.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.252 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.03 -48.32 25.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.556 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 1.7 p90 -157.39 -170.18 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.694 ' HG2' HH11 ' A' ' 23' ' ' ARG . 3.9 tpp85 72.4 94.17 0.08 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.461 0.648 . . . . 0.0 111.032 176.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -125.74 166.75 16.22 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.94 -34.19 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -89.95 137.23 32.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.926 174.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.09 -61.84 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.415 ' C ' ' H ' ' A' ' 30' ' ' TYR . 8.7 p30 -156.56 178.95 9.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.55 20.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.415 ' H ' ' C ' ' A' ' 28' ' ' ASN . 52.0 m-85 62.51 27.52 16.3 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 123.019 0.528 . . . . 0.0 110.981 176.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -83.64 -8.85 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.664 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -76.73 129.9 36.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.202 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.57 115.21 27.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.453 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t 69.63 -174.46 0.19 Allowed 'General case' 0 C--O 1.235 0.304 0 O-C-N 124.041 0.838 . . . . 0.0 110.05 -176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.644 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 44.7 mt-10 -128.6 152.51 48.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.053 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' HG3' ' HG ' ' A' ' 37' ' ' LEU . 10.2 ptp180 -88.0 -18.24 29.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.775 0.321 . . . . 0.0 111.159 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD12 HG22 ' A' ' 58' ' ' VAL . 80.5 mt -113.93 13.51 18.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.142 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.644 ' HB ' ' HB2' ' A' ' 35' ' ' GLU . 7.7 p -62.49 -40.14 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.295 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.471 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 50.4 m -68.22 -35.63 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.913 0.387 . . . . 0.0 110.403 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.67 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.219 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.1 -45.14 94.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.485 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m -59.87 -40.08 87.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.606 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 39' ' ' SER . 85.9 mt -63.23 -34.81 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.641 0.257 . . . . 0.0 110.957 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.2 tp -71.86 -38.83 70.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.049 0.452 . . . . 0.0 109.808 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.514 ' HA ' HD21 ' A' ' 14' ' ' LEU . 3.8 tmt_? -64.97 -34.55 78.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.979 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -78.09 -4.41 47.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.601 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.53 32.78 79.63 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 121.266 -0.492 . . . . 0.0 112.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD2' HD22 ' A' ' 43' ' ' LEU . 24.0 ttmm -93.11 -44.17 8.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.61 0.243 . . . . 0.0 111.019 -176.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.7 pt -98.19 176.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.728 0.299 . . . . 0.0 111.295 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.1 p -98.72 171.93 7.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.315 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.93 -41.32 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.455 ' HE ' HG21 ' A' ' 122' ' ' THR . 1.0 OUTLIER -54.76 -44.27 73.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.525 175.466 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.8 -44.68 95.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.779 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 61.2 t80 -61.57 -45.42 94.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.357 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.39 -42.29 87.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.524 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.507 ' HG3' HD11 ' A' ' 116' ' ' ILE . 35.4 ttp85 -56.08 -50.93 69.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.886 0.374 . . . . 0.0 110.872 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.31 92.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.357 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.488 HG22 HD12 ' A' ' 37' ' ' LEU . 42.1 t -73.03 -37.71 54.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.231 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.46 -23.17 64.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.463 ' HA ' HD11 ' A' ' 112' ' ' ILE . 77.4 mttt -93.53 15.6 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.5 p -96.1 149.15 21.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.31 82.13 6.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.133 0.492 . . . . 0.0 110.9 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.442 ' O ' ' HB2' ' A' ' 64' ' ' TYR . 38.2 tp -82.67 111.42 18.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.815 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.442 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 82.4 m-85 72.39 -60.9 0.51 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.883 0.739 . . . . 0.0 110.953 -176.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 1.059 ' HG3' ' HB3' ' A' ' 69' ' ' LEU . 25.8 tptt -148.41 148.43 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.575 ' O ' ' HB2' ' A' ' 69' ' ' LEU . 1.4 mp0 -47.18 100.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.755 0.66 . . . . 0.0 112.053 -176.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.596 ' HZ3' HG12 ' A' ' 112' ' ' ILE . 22.0 tptm 67.92 32.24 5.26 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 62.49 36.14 14.21 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.184 0.993 . . . . 0.0 110.172 -177.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 1.059 ' HB3' ' HG3' ' A' ' 65' ' ' LYS . 64.5 tp -58.87 151.94 20.46 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.548 -1.66 . . . . 0.0 112.244 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.505 ' HE2' ' HD2' ' A' ' 73' ' ' PHE . 41.3 t80 -141.75 -39.52 0.38 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.23 175.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.66 156.63 32.72 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.385 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.6 t30 69.85 -72.07 0.11 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.791 0.436 . . . . 0.0 110.452 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.505 ' HD2' ' HE2' ' A' ' 70' ' ' TYR . 84.1 m-85 -86.86 61.96 7.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.44 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 7.0 tp60 -65.8 -25.6 67.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.017 -176.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.407 ' HA ' HD11 ' A' ' 78' ' ' ILE . 37.1 p -57.89 -29.51 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 27.4 ttm180 -66.99 -37.54 84.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.626 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.57 -32.5 58.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.415 0.626 . . . . 0.0 109.705 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.445 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 64.2 mt -66.66 -42.52 89.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.243 175.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -62.16 -37.57 85.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.593 177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.9 mt -62.39 -38.67 90.54 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.419 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 8.4 m-80 -55.67 -57.09 13.41 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.385 0.612 . . . . 0.0 110.529 174.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 8.0 m-85 -65.1 -34.76 79.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.959 -173.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 133' ' ' TYR . 87.3 tttt -75.11 -51.06 14.39 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.63 -177.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -91.89 -24.26 19.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -169.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.8 mt -101.25 -47.1 4.83 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.475 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.9 -26.09 24.1 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.193 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.588 ' HA2' ' HA ' ' A' ' 133' ' ' TYR . . . 76.93 27.01 61.2 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.421 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.518 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 35.6 tpt85 -158.32 133.27 8.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.586 0.193 . . . . 0.0 110.653 -176.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.24 152.86 87.4 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.713 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.41 150.31 42.51 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.255 2.637 . . . . 0.0 113.315 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.456 ' OH ' ' HG2' ' A' ' 88' ' ' ARG . 95.7 m-85 -99.09 -59.9 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 -177.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -130.45 -165.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.15 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -87.23 -32.69 19.63 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -172.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.2 p -62.67 -34.35 76.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 111.558 -171.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.412 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . 9.3 pt-20 -66.31 -38.17 87.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.604 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.69 -48.71 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.833 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.79 -41.99 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.577 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -54.52 -50.88 66.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.34 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.408 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 41.5 m-70 -68.57 -30.43 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.219 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.51 -51.92 56.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.131 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.4 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.32 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.46 -41.79 99.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.744 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -70.56 -32.67 70.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.29 -45.51 69.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.707 0.289 . . . . 0.0 110.787 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -83.02 -57.74 3.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -174.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -102.44 -33.33 9.57 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.739 -173.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.09 -172.46 15.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.392 174.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.544 ' O ' HG13 ' A' ' 112' ' ' ILE . 50.1 p90 -70.07 -19.96 63.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.583 -0.309 . . . . 0.0 111.567 -175.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.07 -48.28 76.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.029 0.442 . . . . 0.0 110.041 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.0 64.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.309 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.8 -33.51 68.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.311 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.596 HG12 ' HZ3' ' A' ' 67' ' ' LYS . 62.9 mt -74.56 -42.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.473 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.52 ' HA ' HD12 ' A' ' 116' ' ' ILE . 1.1 m-20 -63.44 -18.55 63.86 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.348 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -50.06 -39.38 41.93 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.02 0.438 . . . . 0.0 111.403 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -77.17 -30.46 54.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.362 0.601 . . . . 0.0 110.714 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 113' ' ' ASP . 14.6 mt -83.87 -15.95 11.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.017 -172.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -93.95 -3.39 51.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.01 0.434 . . . . 0.0 111.084 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -107.95 89.99 6.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.863 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.17 -46.43 8.01 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.816 2.344 . . . . 0.0 112.536 -175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -58.21 -47.56 83.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.55 -44.35 96.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.455 HG21 ' HE ' ' A' ' 52' ' ' ARG . 24.7 m -64.13 -43.83 94.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.637 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.432 ' HA ' ' OD1' ' A' ' 127' ' ' ASP . 2.6 t-20 -64.16 -38.73 92.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -176.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.0 m -75.39 -40.43 57.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 111.022 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.437 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 64.2 t80 -74.99 -38.56 61.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.477 -174.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.53 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 144.7 78.41 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.496 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 123' ' ' ASN . 5.1 p-10 -68.87 -17.27 63.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -127.23 27.56 5.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.117 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.53 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 58.0 t -131.24 147.67 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.116 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 67.7 t -71.19 126.25 91.94 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 120.596 0.236 . . . . 0.0 110.575 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.437 ' HA ' ' CE2' ' A' ' 125' ' ' PHE . 50.5 Cg_exo -55.25 126.93 24.2 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.34 2.694 . . . . 0.0 113.095 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -131.95 140.91 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.765 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.588 ' HA ' ' HA2' ' A' ' 87' ' ' GLY . 4.2 p90 -83.27 108.61 16.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.086 0.469 . . . . 0.0 112.017 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.604 ' HG2' HD12 ' A' ' 136' ' ' LEU . 44.1 ttp85 68.58 -71.51 0.11 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.92 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.58 -91.42 1.62 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.104 -0.57 . . . . 0.0 113.06 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.604 HD12 ' HG2' ' A' ' 134' ' ' ARG . 11.0 mp 61.43 -92.1 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.934 0.494 . . . . 0.0 110.73 -173.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 66.74 -72.72 0.08 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.263 0.625 . . . . 0.0 112.063 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -67.09 161.19 25.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.942 0.401 . . . . 0.0 111.661 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.81 154.82 20.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.591 175.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -140.53 35.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.905 0.383 . . . . 0.0 111.435 -173.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.431 ' HB3' ' H ' ' A' ' 142' ' ' HIS . 38.0 m80 60.0 -143.23 0.55 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.879 176.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.431 ' H ' ' HB3' ' A' ' 141' ' ' HIS . 77.8 m-70 70.73 45.66 0.56 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.812 0.695 . . . . 0.0 110.606 -175.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 68.9 t60 . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.29 177.386 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.56 139.08 86.92 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.65 2.233 . . . . 0.0 112.298 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 t -74.84 106.37 4.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -112.66 149.76 32.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.906 -175.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.6 tp -104.68 100.14 9.8 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 168.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -90.83 170.61 9.95 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.272 -174.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.56 78.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.955 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -108.55 76.08 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.13 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -93.47 165.2 12.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.977 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.3 m -123.41 167.91 13.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.13 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 15.2 mm-40 -58.51 -53.34 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.561 0.219 . . . . 0.0 111.124 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.56 -31.12 71.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.412 0.625 . . . . 0.0 110.751 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.484 ' O ' HG22 ' A' ' 17' ' ' VAL . 30.5 t70 -72.36 -38.55 68.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.517 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.3 tp -64.12 -41.63 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.262 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 18.0 mm-40 -55.35 -42.9 74.5 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.354 0.597 . . . . 0.0 109.718 173.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 m -63.18 -43.78 97.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.892 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 13' ' ' ASP . 86.2 t -62.63 -52.25 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.443 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 pt -64.83 -36.21 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.589 -175.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.611 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 69.3 mtp180 -76.13 -27.29 56.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.736 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.47 70.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.116 0.484 . . . . 0.0 110.051 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -75.45 -41.66 42.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.166 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CD1' HG12 ' A' ' 58' ' ' VAL . 25.1 p90 -154.67 123.38 6.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.24 0.543 . . . . 0.0 111.451 178.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 26.0 mtm180 -112.2 24.47 12.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 174.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.38 128.57 37.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.023 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.8 t -88.38 -39.63 12.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 -174.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.853 ' HG ' ' H ' ' A' ' 27' ' ' GLY . 20.8 tp 65.54 -168.36 0.21 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.311 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.853 ' H ' ' HG ' ' A' ' 26' ' ' LEU . . . -98.7 -143.75 15.43 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.281 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.421 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 6.0 t-20 -116.67 19.67 14.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.471 0.653 . . . . 0.0 109.319 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' HG2' ' A' ' 32' ' ' MET . 10.7 m-20 -78.13 73.42 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.075 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.421 ' HD1' ' O ' ' A' ' 28' ' ' ASN . 13.3 p90 -80.67 -8.29 59.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.76 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m -101.53 9.7 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.262 -175.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.414 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 26.7 ptt? -94.74 -41.51 9.22 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.085 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 54.98 29.43 12.24 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 m -60.49 -33.8 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.426 -177.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 61' ' ' SER . 7.2 tp10 -144.83 131.49 19.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.645 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -115.08 96.81 5.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD13 HG21 ' A' ' 58' ' ' VAL . 66.9 mt -86.9 -2.8 58.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.826 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.69 -28.9 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.14 174.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 13.1 m -68.5 -34.64 76.24 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.988 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.9 -36.92 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.642 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.93 -49.07 79.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.65 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.3 p -66.26 -39.06 89.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.217 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 39' ' ' SER . 67.9 mt -61.17 -40.25 93.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.649 0.261 . . . . 0.0 111.085 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.9 tp -74.46 -45.1 48.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.007 0.432 . . . . 0.0 110.55 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 36.2 ttt85 -63.44 -34.56 78.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.177 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.521 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 7.8 t-20 -80.81 -12.7 59.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 110.301 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.2 28.14 56.58 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.733 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.521 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 41.1 mtpt -89.11 -26.41 21.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.945 0.402 . . . . 0.0 110.365 -178.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 pp -129.89 165.61 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.3 p -96.23 173.83 7.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' ' 55' ' ' VAL . 48.4 t -61.42 -28.81 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.072 0.463 . . . . 0.0 109.956 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.687 ' HG2' HG22 ' A' ' 122' ' ' THR . 1.9 tmm_? -57.19 -48.51 78.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.357 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.09 -39.76 86.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.64 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.68 -45.68 93.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.796 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 51' ' ' VAL . 84.0 t -61.15 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.517 ' HD2' HG23 ' A' ' 116' ' ' ILE . 20.5 ttt180 -60.31 -45.06 94.72 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.736 0.303 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.13 -55.0 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.899 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.451 HG21 HD13 ' A' ' 37' ' ' LEU . 35.0 t -69.81 -28.96 38.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.092 -177.436 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.94 75.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.116 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -101.98 13.92 33.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.11 0.481 . . . . 0.0 111.342 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.438 ' OG ' HD22 ' A' ' 37' ' ' LEU . 73.8 m -99.23 -47.42 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.192 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -121.67 -172.56 2.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.177 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mp 66.53 23.99 10.35 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.642 0.589 . . . . 0.0 111.063 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -90.07 -20.74 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.867 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -172.46 139.6 1.0 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.419 0.152 . . . . 0.0 110.723 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.759 ' HG2' ' HD3' ' A' ' 67' ' ' LYS . 32.7 tt0 -171.01 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 172.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.759 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 3.7 mppt? -129.26 19.32 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.183 0.516 . . . . 0.0 109.799 170.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -128.26 175.66 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.379 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.8 tp 67.27 69.79 0.38 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.975 0.797 . . . . 0.0 111.496 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.5 p90 179.99 171.79 1.09 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.065 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.85 19.4 67.47 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.777 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 65.43 15.86 10.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.4 0.619 . . . . 0.0 110.925 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -82.77 44.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.216 0.531 . . . . 0.0 110.555 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.401 ' O ' HG12 ' A' ' 78' ' ' ILE . 11.5 mm100 -66.47 -25.97 66.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.763 -177.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -61.3 -32.97 72.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.825 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.54 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 10.2 mmt180 -74.1 -27.65 60.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.342 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.4 -37.85 76.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 175.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 74' ' ' GLN . 43.2 mm -60.69 -44.09 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.707 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.9 -39.64 92.69 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.438 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 92.5 mt -59.81 -50.7 72.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.54 -44.6 90.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.534 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 2.3 m-85 -57.65 -48.61 79.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.041 0.448 . . . . 0.0 111.428 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -70.21 -34.5 72.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.108 -175.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -86.14 -33.77 20.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -175.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.7 mt -99.76 -39.05 8.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -173.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.4 mt -110.36 -12.5 14.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.62 -175.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 68.05 28.06 73.5 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.639 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.534 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 13.2 ptm180 -140.42 153.01 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.759 0.314 . . . . 0.0 110.435 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.83 155.82 38.82 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.682 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.73 121.29 7.77 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.914 2.409 . . . . 0.0 112.222 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -83.36 -42.84 16.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.879 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -133.23 157.82 44.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.423 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.0 -33.47 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.342 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -57.83 -40.55 80.28 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.762 -177.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.46 ' HB3' ' OH ' ' A' ' 82' ' ' TYR . 32.1 mt-10 -60.07 -42.51 94.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.209 0.528 . . . . 0.0 110.5 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.5 t -68.75 -52.7 32.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.695 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.14 -40.54 83.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.457 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.47 -54.51 46.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.837 0.351 . . . . 0.0 111.107 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -67.36 -35.1 78.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.905 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.87 -52.46 65.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.037 0.446 . . . . 0.0 110.429 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.1 -43.42 95.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.748 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.5 -50.33 71.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.023 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.18 -49.72 73.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.444 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.75 -34.1 76.16 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -83.36 -58.2 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.993 -177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -91.95 -36.27 13.53 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.517 -0.473 . . . . 0.0 112.16 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.37 176.9 14.6 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 119.955 -1.117 . . . . 0.0 113.598 174.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -64.17 -38.95 92.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.149 -0.526 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.77 -38.48 81.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.394 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.78 74.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.379 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.08 -50.25 72.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.376 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 43.2 mm -56.22 -41.22 69.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.78 -36.4 69.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.187 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.2 m -57.69 -37.47 73.51 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.454 ' HE1' ' CE1' ' A' ' 82' ' ' TYR . 50.6 m-85 -78.82 -26.75 44.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.192 0.52 . . . . 0.0 110.746 -175.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.517 HG23 ' HD2' ' A' ' 56' ' ' ARG . 37.1 mm -93.02 -20.28 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.552 -176.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -85.39 5.64 30.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.328 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 12.7 p -106.01 89.03 3.39 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 172.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -56.23 -51.02 10.33 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.219 2.613 . . . . 0.0 113.692 -171.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.675 ' HA ' ' OD1' ' A' ' 123' ' ' ASN . 36.0 tt0 -70.12 -37.82 75.41 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.837 -173.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -62.15 -28.08 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.737 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.687 HG22 ' HG2' ' A' ' 52' ' ' ARG . 25.5 m -83.3 -56.08 3.97 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.147 177.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.86 ' HA ' ' HB3' ' A' ' 127' ' ' ASP . 1.8 p-10 -71.02 -26.28 63.04 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -170.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.4 t -85.95 -4.28 59.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.667 0.27 . . . . 0.0 111.153 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -116.36 -39.42 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -176.08 81.06 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.68 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.86 ' HB3' ' HA ' ' A' ' 123' ' ' ASN . 22.9 p-10 -80.92 -42.14 21.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.259 0.552 . . . . 0.0 110.218 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -115.1 16.44 17.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.794 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.7 t -122.63 136.96 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.842 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.14 128.2 92.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.3 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -44.73 113.35 0.46 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.844 3.029 . . . . 0.0 112.996 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -108.53 170.89 7.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.026 -179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.408 ' O ' ' HG2' ' A' ' 134' ' ' ARG . 4.1 t80 -83.07 114.98 21.67 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.831 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 133' ' ' TYR . 9.2 ptp85 55.49 -173.6 0.05 Allowed 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.425 1.078 . . . . 0.0 112.054 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -79.51 53.76 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.827 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 137' ' ' GLU . 7.7 mp 60.91 -93.45 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.367 0.667 . . . . 0.0 110.929 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 136' ' ' LEU . 2.0 mm-40 -165.68 -59.62 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.647 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -117.09 103.36 10.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.627 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -110.38 126.78 54.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -82.35 8.06 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.804 -169.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.71 100.02 3.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -125.92 144.3 50.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.638 -166.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.858 172.536 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.7 mpt? . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.675 0.274 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.1 Cg_exo -74.4 116.27 4.57 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.877 2.385 . . . . 0.0 111.666 176.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.0 t -82.6 99.35 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 8.9 pt-20 -115.68 145.84 42.38 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 -173.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 tp -85.73 100.06 11.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 173.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -76.37 150.49 36.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.387 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.52 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.4 . . . . 0.0 111.228 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -102.71 87.3 2.94 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -112.82 163.66 14.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.271 0.557 . . . . 0.0 111.379 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 t -133.9 -179.29 5.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.346 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.32 -46.17 76.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.719 0.295 . . . . 0.0 111.544 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.41 -44.77 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.133 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.5 -48.81 78.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.312 0.577 . . . . 0.0 109.901 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.8 tp -62.8 -41.15 99.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.009 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.4 -41.59 98.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.997 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.6 m -59.84 -41.72 92.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.334 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.9 t -59.03 -45.95 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.335 175.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 14' ' ' LEU . 87.1 mt -59.61 -49.58 83.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.288 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -65.55 -31.85 73.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.969 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.44 -40.58 93.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.471 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.4 -47.46 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.199 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -154.89 145.86 22.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -111.93 89.34 3.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.121 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -91.36 -78.72 0.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.866 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.1 t 69.74 -56.3 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.562 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.7 tp -58.7 115.63 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.093 0.473 . . . . 0.0 109.886 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.01 -29.76 1.23 Allowed Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 m120 65.97 -175.54 0.18 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.052 0.541 . . . . 0.0 111.603 172.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -108.96 -33.14 7.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -85.4 -91.27 0.09 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.96 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.71 HG23 ' H ' ' A' ' 32' ' ' MET . 5.0 m 32.83 -101.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.14 0.976 . . . . 0.0 113.336 -176.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.788 ' HA ' ' HE3' ' A' ' 32' ' ' MET . 2.5 tpt -135.04 -45.6 0.72 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 176.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.07 138.8 19.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.584 173.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.6 m -69.01 -43.22 75.22 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 56.91 29.69 16.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.435 0.636 . . . . 0.0 110.673 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -91.35 41.69 1.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.573 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.9 mt 59.19 56.96 3.64 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.049 -177.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.26 -40.36 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.762 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.442 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 19.5 m -66.26 -49.46 67.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.664 0.269 . . . . 0.0 110.525 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.18 94.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.52 ' OE2' ' HD2' ' A' ' 45' ' ' ARG . 7.2 tm-20 -61.79 -48.84 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -62.81 -40.22 96.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 39' ' ' SER . 77.9 mt -62.91 -43.0 99.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.514 0.197 . . . . 0.0 111.461 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.7 tp -73.82 -37.59 64.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.003 0.43 . . . . 0.0 110.21 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.52 ' HD2' ' OE2' ' A' ' 41' ' ' GLU . 37.1 ttt180 -63.23 -36.07 82.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.353 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -81.03 -13.34 58.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.595 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.85 22.08 75.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.299 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -81.08 -30.5 34.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.793 0.33 . . . . 0.0 110.567 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.753 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 49.9 pt -118.41 167.54 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.722 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 p -93.04 178.11 5.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.956 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.417 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 67.8 t -67.74 -29.9 46.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.714 ' HG3' HG22 ' A' ' 122' ' ' THR . 34.1 ttp180 -56.3 -48.95 75.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.927 173.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.753 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 7.7 mm-40 -72.16 -26.29 62.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.074 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -67.33 -52.68 37.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.1 -40.29 76.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.978 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.511 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 22.1 ttt180 -47.9 -54.52 12.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.312 174.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.82 69.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.83 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 90.5 t -66.75 -44.18 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.125 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.516 ' HB1' HD11 ' A' ' 112' ' ' ILE . . . -76.72 -40.12 49.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.616 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -83.28 17.12 2.18 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.783 0.325 . . . . 0.0 111.723 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.7 p -75.04 -167.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.066 0.46 . . . . 0.0 110.058 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -84.72 -7.18 59.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.353 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.7 mt 64.72 169.17 0.18 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.611 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -80.67 -35.34 33.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.946 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.789 ' HG3' ' HB3' ' A' ' 69' ' ' LEU . 89.0 tttt 70.69 -44.52 0.58 Allowed 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.847 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -37.4 -66.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.101 0.961 . . . . 0.0 112.717 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -110.55 24.23 13.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.999 0.428 . . . . 0.0 110.587 -176.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -126.59 -59.16 1.3 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.789 ' HB3' ' HG3' ' A' ' 65' ' ' LYS . 32.9 tp -89.19 -8.9 52.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.858 0.361 . . . . 0.0 111.489 -170.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -147.13 146.75 30.02 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.17 6.52 55.61 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.837 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -157.65 178.66 10.02 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -63.14 129.83 42.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.604 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.881 HE21 ' HA ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -62.35 -26.07 68.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.038 0.447 . . . . 0.0 110.348 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 p -67.03 -25.05 66.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.039 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 3.3 tpt180 -73.39 -26.93 61.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.087 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.45 -38.78 82.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.275 0.56 . . . . 0.0 109.644 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.1 mt -65.13 -40.72 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.026 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.27 -37.35 80.2 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.194 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 98.1 mt -57.91 -52.92 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -64.38 -48.51 75.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 110.341 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -55.87 25.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.805 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.418 ' HG3' ' HE1' ' A' ' 133' ' ' TYR . 87.3 tttt -71.82 -37.89 70.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.17 -172.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -88.68 -21.99 23.63 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -172.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.1 mt -99.77 -35.27 9.85 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.542 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -95.99 -7.03 37.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.917 0.389 . . . . 0.0 110.716 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.96 18.17 74.22 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.58 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -154.64 141.22 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.49 156.5 90.21 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.06 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.29 129.38 34.3 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.096 2.531 . . . . 0.0 112.502 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -81.99 -46.31 14.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.949 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -128.58 168.4 15.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.802 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -83.09 -23.05 33.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -40.6 85.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 178.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.55 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 8.5 mm-40 -57.59 -49.48 76.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.409 172.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.81 -49.32 70.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.648 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.465 ' HA ' HD13 ' A' ' 100' ' ' LEU . 73.6 mt -63.12 -40.71 90.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.21 -46.38 88.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.225 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.55 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 68.2 m-70 -70.62 -32.58 69.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.722 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 97' ' ' ILE . 30.3 mt -58.84 -53.58 56.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.019 0.437 . . . . 0.0 111.01 176.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.57 -38.29 90.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.473 -177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.472 HD21 ' HA ' ' A' ' 111' ' ' ASP . 50.9 tp -61.99 -44.28 97.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.04 175.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.58 -44.23 94.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.21 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.65 -35.75 81.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.51 -41.91 6.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -172.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -102.77 -36.12 8.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.804 0.335 . . . . 0.0 111.312 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.53 174.4 17.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.691 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -70.99 -24.2 62.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.302 . . . . 0.0 110.308 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 15.0 t70 -60.11 -40.29 89.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.85 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.68 -31.97 41.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.965 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.472 ' HA ' HD21 ' A' ' 102' ' ' LEU . 30.2 t70 -59.63 -52.27 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.315 0.579 . . . . 0.0 109.901 176.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.516 HD11 ' HB1' ' A' ' 59' ' ' ALA . 74.0 mt -68.99 -28.4 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.408 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 23.6 t70 -62.77 -25.72 68.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.957 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.2 m -56.81 -29.62 62.92 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.017 0.437 . . . . 0.0 110.933 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -78.72 -51.75 9.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.343 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.38 -33.14 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.087 0.47 . . . . 0.0 110.966 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -75.59 -5.93 47.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.72 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.1 m -114.18 80.04 5.42 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.96 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.96 -29.86 40.26 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.66 2.24 . . . . 0.0 112.579 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.3 -57.96 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.245 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -68.72 -25.9 64.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.714 HG22 ' HG3' ' A' ' 52' ' ' ARG . 84.9 m -69.0 -54.03 17.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.208 176.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.971 ' HA ' ' HB2' ' A' ' 127' ' ' ASP . 26.7 p30 -66.11 -21.2 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.075 -176.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.1 m -81.84 -24.59 35.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.199 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -121.1 -40.07 2.64 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -173.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.82 68.41 0.3 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.489 -0.863 . . . . 0.0 113.172 -175.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.971 ' HB2' ' HA ' ' A' ' 123' ' ' ASN . 36.7 t70 -103.64 -42.78 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 174.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -117.88 3.92 12.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.606 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.443 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 40.9 t -120.38 143.74 31.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.597 -177.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.6 t -81.96 126.96 73.79 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -46.55 103.4 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.222 2.615 . . . . 0.0 112.998 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -97.91 162.52 13.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.184 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.418 ' HE1' ' HG3' ' A' ' 83' ' ' LYS . 9.8 t80 -79.2 116.63 19.59 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.044 0.449 . . . . 0.0 110.699 -175.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -132.28 107.84 8.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.254 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -88.32 -165.18 41.02 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.662 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 92.9 mt 68.82 -159.64 0.19 Allowed 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.894 0.477 . . . . 0.0 111.019 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -154.29 174.9 14.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -48.04 133.24 15.04 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.179 0.299 . . . . 0.0 110.995 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -57.58 -50.22 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.107 -174.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -95.48 108.62 20.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.45 ' O ' ' HB2' ' A' ' 142' ' ' HIS . 23.7 p-80 -138.2 99.59 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.238 0.542 . . . . 0.0 111.477 -175.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 141' ' ' HIS . 20.7 t-80 175.74 -48.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.125 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.494 179.058 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.618 0.247 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -93.51 176.92 1.33 Allowed 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 122.728 2.286 . . . . 0.0 111.385 172.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -88.23 99.52 9.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -124.01 158.21 32.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.977 0.418 . . . . 0.0 111.082 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.572 ' HB2' HG21 ' A' ' 17' ' ' VAL . 29.5 tp -127.67 95.74 4.32 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 171.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' C ' ' H ' ' A' ' 8' ' ' ASN . 38.2 mtp180 -142.69 98.96 3.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.907 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.457 ' C ' ' H ' ' A' ' 9' ' ' TRP . . . 68.02 -33.71 0.23 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 124.013 0.821 . . . . 0.0 112.966 177.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' A' ' 6' ' ' ARG . 8.3 t30 -79.18 25.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.322 0.582 . . . . 0.0 110.777 -176.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.561 ' HZ2' ' HA ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -50.63 124.12 10.23 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.08 0.952 . . . . 0.0 112.738 -178.386 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.7 p -151.22 178.9 8.78 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -62.47 -47.28 84.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.225 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -64.77 -46.4 82.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.443 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.477 ' O ' HG22 ' A' ' 17' ' ' VAL . 2.5 m-20 -59.76 -56.01 27.16 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.624 ' O ' HG12 ' A' ' 18' ' ' ILE . 42.0 tp -58.08 -50.55 73.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.204 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.65 -36.49 83.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.434 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.7 m -65.41 -39.8 92.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.801 0.334 . . . . 0.0 110.151 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.572 HG21 ' HB2' ' A' ' 5' ' ' LEU . 70.4 t -61.07 -46.56 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.51 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.624 HG12 ' O ' ' A' ' 14' ' ' LEU . 11.6 mm -56.7 -51.7 63.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.376 0.608 . . . . 0.0 109.764 176.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 19' ' ' ARG . 44.6 ttm105 -61.9 -34.99 77.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.072 -175.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.05 78.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.776 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 17' ' ' VAL . 48.4 t -73.23 -41.29 58.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.302 177.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -170.06 152.68 4.37 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.276 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.516 ' HG3' ' H ' ' A' ' 24' ' ' GLN . 3.0 tpm_? -177.26 -155.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.516 ' H ' ' HG3' ' A' ' 23' ' ' ARG . 5.8 mm100 -75.98 -42.62 47.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.215 -176.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.524 HG23 ' H ' ' A' ' 26' ' ' LEU . 34.0 m 53.5 -68.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.312 1.445 . . . . 0.0 113.471 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.524 ' H ' HG23 ' A' ' 25' ' ' VAL . 83.9 mt -125.29 3.08 7.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.966 -0.459 . . . . 0.0 110.34 178.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.97 84.23 0.7 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.669 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -83.96 7.89 16.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.941 0.4 . . . . 0.0 110.781 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -112.77 -171.82 1.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -112.9 1.34 15.44 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.912 0.387 . . . . 0.0 111.0 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -89.52 95.22 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.631 0.729 . . . . 0.0 111.041 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.9 mmm -126.47 -55.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.589 176.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.73 -175.71 0.16 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.322 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t 71.23 107.39 0.06 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.167 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -113.29 87.73 2.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.266 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 29.7 mmt180 -128.31 -32.14 2.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.349 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD13 HG21 ' A' ' 58' ' ' VAL . 77.6 mt -90.9 -3.65 57.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.258 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.16 -39.5 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.8 m -62.19 -41.13 98.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.345 176.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.6 91.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.734 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.01 -45.21 91.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 110.288 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -61.72 -49.18 77.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.553 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 39' ' ' SER . 95.1 mt -62.55 -37.37 85.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.45 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.2 tp -71.81 -39.59 69.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.659 0.266 . . . . 0.0 110.524 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.561 ' HA ' ' HZ2' ' A' ' 9' ' ' TRP . 45.9 ttm105 -64.61 -35.08 79.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.189 0.518 . . . . 0.0 110.138 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -17.01 59.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.722 177.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.32 34.95 63.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.944 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -93.23 -31.46 14.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.891 0.377 . . . . 0.0 110.764 -178.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.7 pt -118.03 161.05 17.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.631 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -85.5 168.43 14.54 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.096 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.54 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 87.8 t -69.32 -31.8 51.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.45 -176.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HG3' ' HG3' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -56.02 -36.5 68.02 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.923 0.392 . . . . 0.0 110.2 172.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' HG3' ' HG3' ' A' ' 52' ' ' ARG . 46.0 mt-10 -83.37 -27.3 29.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.71 -177.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.478 ' O ' HG23 ' A' ' 58' ' ' VAL . 87.5 t80 -64.44 -51.43 63.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 173.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.38 -32.33 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.032 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.599 ' HG3' HD11 ' A' ' 116' ' ' ILE . 40.5 ttt180 -55.8 -49.99 71.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.498 178.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.41 98.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.911 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.492 HG21 HD13 ' A' ' 37' ' ' LEU . 48.1 t -62.99 -39.26 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.851 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.51 -25.67 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.594 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' HZ1' ' CG ' ' A' ' 109' ' ' ASP . 87.1 mttt -96.61 17.06 17.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.969 0.414 . . . . 0.0 111.083 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 m -97.49 -167.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.876 173.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -105.37 -101.56 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.735 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.1 tp 65.72 -71.69 0.08 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.142 0.577 . . . . 0.0 111.425 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 51.5 m-85 -104.07 102.04 11.8 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.67 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 64.2 mttp 69.39 134.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.475 0.484 . . . . 0.0 109.895 -172.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.23 108.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.576 0.226 . . . . 0.0 110.782 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 mttp 62.3 39.35 12.45 Favored 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 124.006 0.816 . . . . 0.0 109.793 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.428 ' O ' ' HB3' ' A' ' 69' ' ' LEU . 5.7 m-30 62.27 34.33 16.0 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.318 -176.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.793 ' HB3' HG22 ' A' ' 77' ' ' VAL . 2.7 tm? 79.3 109.16 0.07 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.319 174.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -66.61 -26.01 66.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.255 -1.339 . . . . 0.0 112.656 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 157.39 108.14 0.26 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 119.909 -1.139 . . . . 0.0 113.675 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.472 ' N ' HD12 ' A' ' 69' ' ' LEU . 60.5 t30 176.8 97.05 0.01 OUTLIER 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 60.18 77.2 0.33 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.051 -172.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.512 ' O ' HG13 ' A' ' 78' ' ' ILE . 52.4 tp60 -61.43 -26.16 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.593 -173.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.515 ' HA ' HD13 ' A' ' 78' ' ' ILE . 18.8 p -53.96 -38.34 64.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -68.12 -37.18 80.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 111.011 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.793 HG22 ' HB3' ' A' ' 69' ' ' LEU . 76.7 t -75.64 -31.35 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.319 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 75' ' ' THR . 81.0 mt -55.9 -47.21 80.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.164 0.506 . . . . 0.0 109.892 173.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.599 ' HB3' ' NZ ' ' A' ' 83' ' ' LYS . 14.8 mt-10 -61.01 -44.36 97.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.041 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.6 -50.26 74.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.317 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -61.89 -44.68 96.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.643 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.49 -42.42 87.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.831 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.599 ' NZ ' ' HB3' ' A' ' 79' ' ' GLU . 61.6 mttp -71.88 -25.23 61.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -95.36 -20.12 19.39 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.839 -178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.481 HD11 HG23 ' A' ' 112' ' ' ILE . 96.5 mt -100.75 -39.19 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.2 mt -122.03 -18.27 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.916 0.389 . . . . 0.0 111.161 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.5 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 77.87 14.61 82.17 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.117 -177.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 5.3 ptp180 -108.95 167.73 9.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.241 0.543 . . . . 0.0 111.035 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.73 153.67 42.87 Favored Pre-proline 0 C--N 1.317 -0.821 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 169.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.54 106.07 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.096 1.864 . . . . 0.0 111.894 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.421 ' CE2' ' HB2' ' A' ' 88' ' ' ARG . 87.2 m-85 -82.47 -36.59 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.195 0.522 . . . . 0.0 109.996 -178.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -117.5 146.52 43.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.681 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 93' ' ' GLU . 1.0 OUTLIER -60.94 -27.86 68.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.403 177.124 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 m -55.67 -38.24 69.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.614 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.15 -42.07 89.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.138 0.494 . . . . 0.0 110.455 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.0 t -64.56 -52.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.406 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.44 -43.23 90.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.128 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -56.08 -46.86 78.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.478 ' HD1' ' CG ' ' A' ' 111' ' ' ASP . 16.8 m-70 -72.34 -35.99 68.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.566 -177.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.7 mt -58.89 -51.34 70.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 110.887 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -67.72 -38.79 84.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.726 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 111' ' ' ASP . 28.1 tp -57.69 -46.87 83.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.655 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.91 -50.61 68.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.89 -16.59 63.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -174.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -99.17 -57.8 2.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.07 -35.13 10.13 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.526 -175.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.2 174.81 13.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.395 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -69.94 -25.25 63.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.787 0.327 . . . . 0.0 110.53 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.403 ' CG ' ' HZ1' ' A' ' 60' ' ' LYS . 13.8 t70 -60.3 -40.64 91.2 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.36 71.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.165 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.509 ' HA ' HD21 ' A' ' 102' ' ' LEU . 12.3 t70 -52.85 -46.2 67.71 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.333 0.587 . . . . 0.0 110.101 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.481 HG23 HD11 ' A' ' 85' ' ' LEU . 59.6 mt -77.45 -41.47 29.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.383 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.92 -21.58 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.858 -171.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.9 p -47.89 -61.75 1.8 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.623 ' HE1' ' HB3' ' A' ' 121' ' ' TYR . 24.9 t80 -65.91 -40.46 91.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 111.298 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.599 HD11 ' HG3' ' A' ' 56' ' ' ARG . 67.1 mt -56.89 -37.13 52.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.531 -174.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -90.65 -27.78 18.81 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.6 p -56.24 110.0 2.04 Favored Pre-proline 0 N--CA 1.468 0.45 0 CA-C-O 121.225 0.536 . . . . 0.0 111.269 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.65 -37.93 26.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.997 2.464 . . . . 0.0 113.029 -172.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 121' ' ' TYR . 7.4 pt-20 -60.9 -48.2 82.91 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.245 -0.182 . . . . 0.0 111.013 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.623 ' HB3' ' HE1' ' A' ' 115' ' ' TYR . 3.9 m-85 -71.3 -32.94 69.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.549 0.214 . . . . 0.0 110.742 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.8 m -56.46 -42.62 78.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.116 0.484 . . . . 0.0 110.733 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -81.8 -28.58 33.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.396 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 43.1 m -79.22 -51.26 9.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.369 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -79.44 -38.8 33.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.929 0.395 . . . . 0.0 110.089 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 114.65 109.0 2.76 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.268 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.54 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 9.9 t70 -54.05 -50.59 66.4 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.49 0.662 . . . . 0.0 110.264 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.471 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 62.5 m95 -87.49 27.74 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.196 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.37 136.62 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.1 t -86.08 124.84 69.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.807 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.71 144.33 65.33 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.762 2.308 . . . . 0.0 112.594 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.5 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 20.4 p90 -127.66 145.36 50.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.892 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.434 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 48.5 p90 -78.95 148.93 32.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.747 0.308 . . . . 0.0 111.203 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -48.65 138.98 10.05 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.443 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.47 -117.43 0.84 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.1 mp 71.83 -46.92 0.65 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 139' ' ' HIS . 44.1 mt-10 -48.83 149.18 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.678 -175.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -76.02 27.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.693 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' A' ' 137' ' ' GLU . 38.9 t-80 -63.31 -29.94 71.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.292 0.568 . . . . 0.0 109.993 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -134.59 120.93 20.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 169.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -75.76 149.51 37.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.408 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -89.79 -165.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.721 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 23.8 p80 . . . . . 0 C--O 1.244 0.782 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.761 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 64.2 mtt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 119.869 -0.11 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.761 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 2.6 Cg_exo -76.86 148.68 28.55 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.948 1.765 . . . . 0.0 111.711 177.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.8 t -93.91 127.02 46.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -139.03 153.04 48.05 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.8 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -98.21 120.31 38.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -80.19 154.46 27.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.54 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.21 135.53 39.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 58.9 80.54 0.18 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -169.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -98.29 178.89 4.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.935 -170.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -132.66 167.0 20.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.717 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 17.9 tp10 -53.75 -45.82 70.69 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.172 0.295 . . . . 0.0 111.343 -175.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.36 -48.75 76.19 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.249 0.547 . . . . 0.0 111.203 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' O ' HG21 ' A' ' 17' ' ' VAL . 24.6 t70 -60.93 -49.33 77.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.306 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.549 ' O ' HG13 ' A' ' 18' ' ' ILE . 57.1 tp -67.78 -42.46 81.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.443 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -53.77 -44.83 70.37 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.212 0.53 . . . . 0.0 110.184 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -61.31 -42.46 98.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.676 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 21' ' ' VAL . 91.8 t -61.77 -46.28 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.0 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 14' ' ' LEU . 63.7 mt -59.13 -49.7 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.046 -178.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 79.3 mtp180 -63.12 -28.5 70.11 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.276 -177.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.29 -49.13 37.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 17' ' ' VAL . 48.0 t -61.48 -48.03 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -145.36 155.1 42.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.091 0.472 . . . . 0.0 111.335 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -154.88 -69.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.91 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 179.06 -7.62 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.422 0.451 . . . . 0.0 111.035 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.696 HG21 ' H ' ' A' ' 26' ' ' LEU . 3.8 m 40.82 -96.85 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.742 0.817 . . . . 0.0 113.005 -172.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.696 ' H ' HG21 ' A' ' 25' ' ' VAL . 93.8 mt -143.02 126.4 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.487 ' HA3' ' HB3' ' A' ' 30' ' ' TYR . . . -178.25 163.78 32.07 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.264 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -105.9 -64.5 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -86.0 -16.98 36.54 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 175.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.487 ' HB3' ' HA3' ' A' ' 27' ' ' GLY . 57.3 t80 -77.35 78.24 3.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.664 176.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 p -127.8 -14.8 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.614 176.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.2 mmt -78.3 172.18 13.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.494 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.609 ' HA ' ' HB2' ' A' ' 36' ' ' ARG . . . 73.66 1.23 3.88 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.808 0.693 . . . . 0.0 111.319 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.39 -26.15 67.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.072 0.463 . . . . 0.0 111.038 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -124.51 26.22 7.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.95 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.609 ' HB2' ' HA ' ' A' ' 33' ' ' ALA . 53.9 ttm-85 -63.76 -33.78 76.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.259 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.5 ' HB3' ' HB1' ' A' ' 40' ' ' ALA . 95.7 mt -92.5 49.69 1.52 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.988 -173.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.87 -37.61 72.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.211 0.529 . . . . 0.0 109.974 175.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.655 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.0 m -58.76 -49.9 75.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.263 177.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 37' ' ' LEU . . . -63.96 -40.63 96.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -52.99 -51.97 59.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.231 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -65.31 -40.02 93.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.022 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.4 mt -61.23 -44.03 97.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.997 0.427 . . . . 0.0 110.689 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.5 tp -67.49 -42.71 82.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.693 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 45' ' ' ARG . 55.6 mtt-85 -68.06 -28.58 67.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.798 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -82.41 -11.9 58.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.256 0.551 . . . . 0.0 110.047 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.31 34.24 33.21 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.016 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -88.76 -43.58 11.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.679 0.276 . . . . 0.0 111.019 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 36.2 pt -116.74 156.32 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.131 -176.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.4 p -85.34 173.73 10.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.238 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.52 ' O ' HG22 ' A' ' 55' ' ' VAL . 75.2 t -64.79 -36.14 76.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.811 ' HD3' HG21 ' A' ' 122' ' ' THR . 12.2 ttp180 -53.86 -50.72 65.62 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.593 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 32.9 mt-10 -67.83 -41.88 82.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.75 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 58' ' ' VAL . 82.7 t80 -58.31 -46.5 86.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.539 HG11 ' HG2' ' A' ' 131' ' ' PRO . 93.3 t -66.57 -33.53 64.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.221 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.475 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 54.7 ttt180 -62.73 -39.04 92.85 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.225 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.23 77.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.683 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 54' ' ' PHE . 48.9 t -71.56 -39.01 69.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.473 177.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HB2' HD22 ' A' ' 85' ' ' LEU . . . -62.73 -30.24 71.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.419 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 17.9 ptpt -105.79 15.84 26.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.348 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.2 p -76.76 -30.73 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 0.0 110.963 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' HG3' ' HD2' ' A' ' 64' ' ' TYR . 33.2 tt0 -84.66 99.41 10.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.298 0.57 . . . . 0.0 109.978 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.3 pp -92.29 16.16 12.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.835 -176.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.427 ' HD2' ' HG3' ' A' ' 62' ' ' GLU . 62.8 m-85 -91.58 76.85 5.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.863 0.363 . . . . 0.0 110.11 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -54.51 -60.04 3.88 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.248 -174.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -66.36 6.15 0.47 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -92.21 -33.13 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 110.178 178.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -137.13 -32.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.731 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.8 tp -94.03 146.69 23.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.6 -174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 75.9 t80 71.72 -49.03 0.68 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.972 0.795 . . . . 0.0 112.54 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.31 -63.79 4.87 Favored Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 114.604 0.601 . . . . 0.0 114.604 -172.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -144.23 124.69 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.305 0.552 . . . . 0.0 111.557 -171.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 58.71 94.36 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.883 0.739 . . . . 0.0 112.497 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -78.0 -26.55 48.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.417 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 m -61.05 -33.42 73.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.886 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 33.6 ttt85 -71.53 -29.41 64.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.143 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.72 -37.29 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.845 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.53 -41.69 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.93 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.3 -40.07 85.02 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.401 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.2 mt -59.82 -54.15 49.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -65.24 -42.24 93.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.622 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 2.8 m-85 -59.36 -49.77 76.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -74.99 -15.21 60.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.48 -174.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -90.86 -43.76 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.685 0.279 . . . . 0.0 111.449 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.495 HD12 HG21 ' A' ' 112' ' ' ILE . 86.8 mt -96.99 -30.07 13.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -171.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 HD23 ' HE1' ' A' ' 121' ' ' TYR . 72.7 mt -113.69 -17.0 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.766 0.317 . . . . 0.0 110.703 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.17 20.0 74.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.276 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.622 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 7.7 tpt180 -126.37 142.66 51.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.416 ' HB3' ' HD2' ' A' ' 90' ' ' PRO . . . -81.13 159.13 68.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.416 ' HD2' ' HB3' ' A' ' 89' ' ' ALA . 8.7 Cg_endo -50.57 107.21 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.702 2.268 . . . . 0.0 111.887 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.92 -50.05 52.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.122 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -122.5 159.35 27.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.841 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.38 -22.02 63.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.603 0.24 . . . . 0.0 110.669 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.5 t -61.67 -37.72 85.12 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.14 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -59.99 -40.25 88.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.306 0.574 . . . . 0.0 110.066 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.98 -57.08 13.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.443 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.35 -44.41 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.164 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -58.68 -44.13 90.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.345 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -79.51 -30.61 41.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.47 -44.61 95.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 109.68 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.12 -50.5 73.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.612 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.58 -47.09 83.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.265 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.91 -47.98 83.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.578 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -70.36 -33.53 71.55 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -175.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -82.22 -57.95 3.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.589 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -95.04 -37.24 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -170.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.29 176.91 14.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.194 -1.003 . . . . 0.0 113.319 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -71.29 -39.05 71.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.712 -0.244 . . . . 0.0 111.306 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.29 -29.88 68.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 113' ' ' ASP . . . -74.22 -29.84 61.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.82 -56.11 17.89 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.495 HG21 HD12 ' A' ' 85' ' ' LEU . 75.4 mt -54.59 -34.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.508 176.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 110' ' ' ALA . 26.5 t70 -57.81 -39.92 78.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.9 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.2 p -61.97 -24.63 67.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -86.17 -33.94 20.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.155 0.502 . . . . 0.0 110.42 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.514 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 49.5 mm -93.36 -36.29 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.06 -172.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . 0.478 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 26.5 t70 -76.06 -19.07 58.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.745 -173.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 p -79.32 103.94 1.91 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-O 121.022 0.439 . . . . 0.0 111.143 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.478 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 38.4 Cg_endo -67.74 -40.39 9.92 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.455 2.104 . . . . 0.0 111.988 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.33 -39.13 93.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.209 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.429 ' HE1' HD23 ' A' ' 86' ' ' LEU . 6.6 t80 -75.94 -38.66 57.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.431 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.811 HG21 ' HD3' ' A' ' 52' ' ' ARG . 30.6 m -72.9 -45.78 56.33 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.198 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.23 -36.5 82.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.609 0.242 . . . . 0.0 111.285 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.7 p -71.53 -18.67 62.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.628 0.251 . . . . 0.0 111.176 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 73.0 t80 -94.26 -39.37 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.39 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.75 106.61 1.14 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.676 -0.569 . . . . 0.0 111.676 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.77 -32.89 74.68 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.899 0.38 . . . . 0.0 111.34 -176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.27 18.15 22.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.017 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.3 t -108.78 138.71 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.016 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 79.9 t -76.03 127.63 84.81 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.271 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.539 ' HG2' HG11 ' A' ' 55' ' ' VAL . 52.9 Cg_exo -53.8 107.17 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.019 2.479 . . . . 0.0 112.521 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -105.34 158.52 16.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.172 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -64.36 139.28 58.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.196 0.522 . . . . 0.0 110.53 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -75.19 -7.45 53.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.187 -173.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -84.31 52.46 4.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.226 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.49 -42.27 95.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.048 0.451 . . . . 0.0 110.708 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.75 149.62 22.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.471 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 37.96 70.05 0.21 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.277 0.986 . . . . 0.0 112.251 -176.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -65.13 117.76 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.675 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -76.68 97.52 4.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.582 0.706 . . . . 0.0 111.805 -175.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -137.6 29.95 2.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -142.56 106.06 4.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.388 -175.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.33 -179.331 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' HB3' ' HD2' ' A' ' 2' ' ' PRO . 24.9 mmt . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 1' ' ' MET . 41.7 Cg_endo -67.81 155.08 71.27 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.166 1.91 . . . . 0.0 111.48 176.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.564 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 45.3 t -79.24 105.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -99.44 116.9 32.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.601 -176.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.505 HD12 HG22 ' A' ' 17' ' ' VAL . 50.6 tp -86.83 100.21 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -76.92 139.0 40.06 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.25 177.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.16 -33.12 57.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.221 0.534 . . . . 0.0 110.988 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -86.86 92.09 8.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 168.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -126.89 162.27 26.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.366 0.603 . . . . 0.0 111.511 -174.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.2 t -113.65 167.49 10.57 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.8 -20.18 65.58 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.048 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.88 -45.01 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.194 0.521 . . . . 0.0 109.807 172.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.9 m-20 -68.48 -42.22 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.738 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.29 -49.15 78.73 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.362 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.68 -38.54 85.29 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.884 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.1 m -60.1 -42.58 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.984 0.421 . . . . 0.0 110.677 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.505 HG22 HD12 ' A' ' 5' ' ' LEU . 77.2 t -64.13 -56.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.171 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.6 pt -65.3 -38.52 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -71.79 -24.68 61.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.79 -32.58 59.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.005 0.431 . . . . 0.0 110.377 176.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 17' ' ' VAL . 57.8 t -79.14 -56.11 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.595 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -66.43 -75.98 0.09 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.434 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 65.48 -69.44 0.1 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.003 -174.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 62.81 -81.87 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.304 0.642 . . . . 0.0 111.308 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t 67.26 -61.16 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 123.517 0.727 . . . . 0.0 111.477 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -64.74 147.7 52.6 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.16 69.36 1.38 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -167.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 7.4 t30 -116.74 168.56 10.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.143 -169.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 5.7 m-20 77.84 -39.24 0.28 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.625 0.77 . . . . 0.0 111.23 176.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -100.94 152.76 20.17 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.14 132.25 34.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.816 0.341 . . . . 0.0 110.479 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.4 140.15 41.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.062 176.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.55 -167.03 1.77 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.9 p 52.59 73.8 0.32 Allowed 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.706 0.802 . . . . 0.0 111.176 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -67.62 128.98 38.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.68 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -121.99 -46.56 2.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.853 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.491 HD13 HG23 ' A' ' 58' ' ' VAL . 89.4 mt -92.75 1.82 57.07 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.59 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 87.4 t -67.85 -28.32 41.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.244 0.545 . . . . 0.0 109.963 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 p -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.286 172.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.7 -50.69 70.14 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.163 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HG2' ' HA ' ' A' ' 38' ' ' VAL . 10.2 pt-20 -64.08 -30.68 71.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.225 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m -68.84 -42.49 77.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.222 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.17 -39.9 95.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.23 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.13 -41.79 98.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.274 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.8 ttm-85 -63.28 -30.57 71.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.004 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -85.29 -11.86 53.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.53 21.63 71.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.472 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -79.95 -38.2 32.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.63 153.99 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.14 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.7 p -84.4 165.35 18.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.708 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.459 ' HB ' ' HA ' ' A' ' 128' ' ' TRP . 57.9 t -60.93 -29.68 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.918 0.39 . . . . 0.0 110.181 177.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.532 ' HG2' HG23 ' A' ' 116' ' ' ILE . 17.1 ttp180 -53.63 -47.86 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.51 176.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.12 -42.95 88.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.369 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' O ' HG22 ' A' ' 58' ' ' VAL . 88.7 t80 -60.61 -51.75 68.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.402 -177.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.0 t -58.7 -42.66 85.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.886 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HD3' HG22 ' A' ' 116' ' ' ILE . 42.1 ttp180 -59.97 -49.19 78.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.81 86.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.503 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 HD13 ' A' ' 37' ' ' LEU . 60.8 t -67.61 -42.99 87.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.911 0.386 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.35 96.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.76 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 20.0 ptmt -93.91 16.13 15.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.795 0.331 . . . . 0.0 111.258 -177.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.5 t -85.83 168.56 14.15 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 120.855 0.359 . . . . 0.0 110.34 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.87 79.36 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.533 . . . . 0.0 111.613 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.87 -47.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.237 0.542 . . . . 0.0 110.449 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.523 ' HA ' ' HD2' ' A' ' 68' ' ' PHE . 43.8 p90 -67.13 -19.24 65.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.972 -176.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -55.52 -30.81 61.36 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.98 -18.92 55.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -173.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -155.4 -56.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.912 -173.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.523 ' HD2' ' HA ' ' A' ' 64' ' ' TYR . 17.5 m-85 -74.4 75.91 1.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.068 -172.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 tp 177.31 -30.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.542 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -94.54 152.45 18.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.251 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.41 -108.09 1.74 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.441 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -161.53 175.81 11.72 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 63.76 94.92 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.934 0.771 . . . . 0.0 111.733 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -66.16 -25.44 66.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.626 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 p -57.27 -39.81 76.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.874 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 40.4 ttm180 -56.73 -47.37 80.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.844 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.19 -46.69 95.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.478 HG22 ' HD1' ' A' ' 99' ' ' HIS . 50.1 mt -65.15 -39.29 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 31.5 mt-10 -64.66 -25.01 67.77 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.012 177.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 90.7 mt -79.92 -41.99 25.0 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 120.705 0.288 . . . . 0.0 110.614 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -56.1 -50.7 70.31 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 10.2 m-30 -73.42 -19.79 60.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.824 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.865 ' HD3' ' HB2' ' A' ' 88' ' ' ARG . 22.7 tptp -58.96 -32.58 69.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 171.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -89.08 -25.83 21.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.198 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' A' ' 131' ' ' PRO . 95.0 mt -101.24 -53.47 3.01 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -171.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.5 mt -114.04 9.29 17.29 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA3' ' H ' ' A' ' 134' ' ' ARG . . . 81.87 41.12 9.88 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.21 -0.995 . . . . 0.0 111.774 -177.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.865 ' HB2' ' HD3' ' A' ' 83' ' ' LYS . 16.2 ttt180 79.53 -82.73 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.142 1.377 . . . . 0.0 112.385 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -81.71 126.65 75.15 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.961 -165.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -61.63 177.79 0.84 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 123.125 2.55 . . . . 0.0 111.857 174.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.473 ' HE2' HD13 ' A' ' 136' ' ' LEU . 32.2 t80 -97.61 -51.05 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.218 -174.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.616 ' O ' HG22 ' A' ' 96' ' ' VAL . 29.7 t70 -117.89 149.01 41.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.798 0.332 . . . . 0.0 111.011 -173.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.544 ' O ' HG12 ' A' ' 97' ' ' ILE . 30.6 tt0 -69.77 -41.51 75.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.426 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.6 t -66.1 -36.17 82.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 92' ' ' ASP . 1.5 tm-20 -56.36 -49.42 74.48 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.078 172.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.691 ' HA ' ' CE1' ' A' ' 99' ' ' HIS . 54.3 t -52.65 -51.85 31.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 176.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 93' ' ' GLU . 33.0 mm -57.14 -39.49 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.874 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -55.59 -52.76 62.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.218 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.691 ' CE1' ' HA ' ' A' ' 96' ' ' VAL . 8.0 p80 -82.43 -16.42 49.03 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.708 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.51 HD13 ' HA ' ' A' ' 97' ' ' ILE . 19.2 mt -58.36 -48.98 78.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.927 0.394 . . . . 0.0 110.025 170.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.98 -46.24 85.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.062 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.509 ' HB3' ' HA ' ' A' ' 99' ' ' HIS . 59.0 tp -55.34 -47.07 76.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.358 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -60.53 -48.71 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.866 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.64 -37.98 59.23 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.972 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -83.47 -53.5 5.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -90.72 -36.41 14.33 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.401 -174.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.63 166.26 11.45 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.168 -1.015 . . . . 0.0 113.092 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -61.74 -33.0 73.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 111.314 178.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -67.1 -36.18 81.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.398 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.46 76.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.704 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.486 ' OD1' ' HB2' ' A' ' 99' ' ' HIS . 14.9 t70 -58.73 -42.65 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.36 0.6 . . . . 0.0 110.095 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 85.0 mt -71.83 -35.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.333 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.437 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 97.8 m-20 -68.53 -26.73 65.57 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.0 p -56.48 -59.12 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.714 0.292 . . . . 0.0 111.651 -174.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -61.94 -37.12 83.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.532 HG23 ' HG2' ' A' ' 52' ' ' ARG . 44.0 mm -73.89 -47.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.834 -174.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.65 -24.45 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.795 0.331 . . . . 0.0 111.141 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 m -79.71 115.32 52.81 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.498 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.78 -55.95 2.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.309 2.673 . . . . 0.0 113.484 -172.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.61 -32.0 73.46 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -65.1 -44.79 87.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.013 0.435 . . . . 0.0 110.244 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.48 HG21 ' HG3' ' A' ' 52' ' ' ARG . 87.1 m -70.07 -36.4 74.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.308 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.15 -34.31 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.865 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.3 p -70.95 -10.52 59.84 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -113.39 -38.72 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.797 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.99 128.82 3.0 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.93 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.77 -24.97 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.311 0.577 . . . . 0.0 110.812 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.459 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 80.8 m95 -122.25 19.14 10.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.15 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.53 132.42 61.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.796 -174.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.564 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 96.1 t -73.83 127.87 87.65 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.225 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.522 ' HB3' ' O ' ' A' ' 85' ' ' LEU . 93.0 Cg_exo -47.43 140.63 15.51 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.846 3.031 . . . . 0.0 113.894 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.63 ' CE1' ' HA2' ' A' ' 135' ' ' GLY . 26.9 p90 -110.2 174.6 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.918 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.478 ' HE2' ' HE2' ' A' ' 83' ' ' LYS . 5.0 t80 -83.95 141.03 31.54 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.404 ' H ' ' HA3' ' A' ' 87' ' ' GLY . 8.3 tpm_? 60.82 74.02 0.46 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.589 0.709 . . . . 0.0 111.055 -177.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.63 ' HA2' ' CE1' ' A' ' 132' ' ' TYR . . . -69.83 119.02 8.66 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.584 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.473 HD13 ' HE2' ' A' ' 91' ' ' TYR . 53.8 tp -110.8 106.22 15.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.698 0.285 . . . . 0.0 110.702 -177.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.6 131.82 40.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -88.13 117.53 27.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.628 0.728 . . . . 0.0 111.471 -171.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -116.01 164.16 14.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -99.8 -66.98 0.87 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -171.33 120.64 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -64.05 135.43 56.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.259 0.552 . . . . 0.0 111.021 -173.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 . . . . . 0 C--O 1.244 0.815 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.099 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.657 0.265 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -88.16 176.43 3.74 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.027 2.485 . . . . 0.0 111.834 174.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -82.65 112.13 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' HB3' HG21 ' A' ' 129' ' ' VAL . 10.9 pt-20 -139.61 153.34 47.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.751 -178.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.524 ' HB2' HG12 ' A' ' 17' ' ' VAL . 62.2 tp -87.03 143.62 27.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.154 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -99.74 151.92 20.69 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.96 -39.17 87.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.87 81.2 4.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.628 170.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -99.21 155.79 17.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.423 0.63 . . . . 0.0 111.489 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.43 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 m -107.99 168.92 8.94 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.102 174.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.29 -55.72 31.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.788 0.327 . . . . 0.0 110.785 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.87 -37.63 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.499 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 10' ' ' SER . 32.8 t70 -62.03 -48.65 79.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.7 tp -59.24 -42.73 91.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.361 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.61 -37.18 82.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.274 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -62.87 -40.77 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.34 . . . . 0.0 110.621 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' A' ' 5' ' ' LEU . 59.0 t -67.5 -47.51 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.45 -44.92 93.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.682 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -61.4 -33.88 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.4 87.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.378 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.63 -56.01 11.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.132 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.46 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -160.35 143.98 13.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.158 0.504 . . . . 0.0 111.103 179.531 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.8 tpt85 -151.36 -37.55 0.13 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.489 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.475 ' HG3' ' H ' ' A' ' 25' ' ' VAL . 7.1 tp-100 -160.51 -134.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -178.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.475 ' H ' ' HG3' ' A' ' 24' ' ' GLN . 15.9 t 67.26 48.01 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 122.017 0.913 . . . . 0.0 109.966 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.5 mt -109.05 -47.97 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.627 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.3 -164.8 36.9 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -177.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -111.21 -32.22 6.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.028 0.414 . . . . 0.0 111.287 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.611 ' HA ' ' HE1' ' A' ' 32' ' ' MET . 9.9 t70 -166.78 102.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 111.403 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -171.59 80.87 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.079 175.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t 48.69 83.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.158 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.611 ' HE1' ' HA ' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -65.2 103.38 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.441 . . . . 0.0 110.57 178.158 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.57 155.91 34.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.673 -176.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -79.17 175.52 10.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.836 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.609 ' HG3' ' HB ' ' A' ' 38' ' ' VAL . 7.6 tp10 -74.6 98.17 3.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.279 0.561 . . . . 0.0 110.228 -176.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 36' ' ' ARG . 16.2 ttt180 -94.54 -31.78 13.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.429 -176.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.4 mt -93.68 20.72 7.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.944 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.609 ' HB ' ' HG3' ' A' ' 35' ' ' GLU . 10.5 p -57.6 -31.95 40.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.244 0.545 . . . . 0.0 110.611 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.516 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 17.8 m -63.31 -38.07 89.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.589 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.56 56.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -67.42 -28.66 68.09 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.623 -178.554 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -70.09 -43.61 70.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.486 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 39' ' ' SER . 92.7 mt -62.81 -40.26 96.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.802 0.334 . . . . 0.0 110.567 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.59 -37.32 79.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -65.22 -26.63 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.018 -178.456 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -98.98 3.75 47.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.74 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.27 21.8 72.36 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.986 -0.552 . . . . 0.0 113.187 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -79.41 -39.69 31.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.983 0.392 . . . . 0.0 110.293 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.421 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 49.6 pt -108.69 149.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.285 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.3 p -86.67 172.09 10.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.477 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.85 -35.85 67.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' HG3' HG21 ' A' ' 116' ' ' ILE . 2.9 ttp180 -48.55 -49.96 34.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.807 172.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 24.6 mt-10 -80.99 -33.55 33.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.205 -175.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 75.4 t80 -62.58 -53.22 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.526 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.22 -40.23 85.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.995 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 38.1 ttt180 -55.58 -56.62 18.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.222 179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.97 27.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.575 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.2 -42.77 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.15 -29.17 61.67 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -173.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . 19.0 ptmt -107.37 7.34 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.166 -0.614 . . . . 0.0 112.11 -173.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 p -98.66 -92.18 0.26 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -103.01 26.22 8.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.386 -164.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.2 mt -78.32 96.78 5.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.095 0.474 . . . . 0.0 110.095 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -74.9 155.75 37.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.355 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.519 ' HB3' HD23 ' A' ' 69' ' ' LEU . 23.1 pttp -83.92 143.99 29.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.28 -178.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 175.02 -66.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.978 -1.01 . . . . 0.0 108.889 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -75.68 -23.21 56.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.356 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.493 ' HB2' HG13 ' A' ' 77' ' ' VAL . 36.2 p90 -142.8 162.2 36.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.851 174.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 65' ' ' LYS . 46.9 tp 66.08 89.59 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.057 0.848 . . . . 0.0 110.873 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -166.76 -71.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.748 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.98 28.0 0.35 Allowed Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 1.1 m-20 -96.43 19.0 12.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.343 -0.429 . . . . 0.0 110.039 -174.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.463 ' HB2' ' O ' ' A' ' 72' ' ' ASN . 92.6 m-85 73.06 131.27 0.04 OUTLIER 'General case' 0 C--O 1.235 0.301 0 O-C-N 124.13 0.894 . . . . 0.0 109.886 -170.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -62.66 -33.94 76.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.189 -175.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 p -56.23 -51.47 68.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 10.9 mmm180 -53.84 -44.29 70.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.187 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' A' ' 68' ' ' PHE . 41.2 t -63.09 -45.14 99.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.558 HG21 ' HB3' ' A' ' 99' ' ' HIS . 84.4 mt -64.71 -53.99 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.987 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -31.45 70.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.46 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 33.0 mt -59.43 -48.45 81.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.177 0.513 . . . . 0.0 110.5 174.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.83 -48.78 77.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.34 -39.57 87.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.502 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.08 -35.39 78.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.897 0.38 . . . . 0.0 110.763 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -84.39 -18.52 35.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.435 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.8 mt -100.87 -27.4 13.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.0 mt -100.81 -22.9 14.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.523 0.201 . . . . 0.0 111.333 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.487 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 67.94 27.07 73.75 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -173.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -154.08 -168.07 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.82 -174.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.17 158.07 75.26 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.16 140.95 60.1 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.762 2.308 . . . . 0.0 112.038 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -89.28 -37.52 14.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.438 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.613 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 30.9 t70 -125.67 158.57 34.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.162 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.61 -28.09 41.0 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.451 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.2 m -68.83 -24.73 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.575 0.226 . . . . 0.0 111.334 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 13.8 pt-20 -73.5 -27.48 61.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.81 -45.62 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.239 0.542 . . . . 0.0 109.696 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.33 -38.19 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.807 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.22 -40.07 96.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.714 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.558 ' HB3' HG21 ' A' ' 78' ' ' ILE . 60.3 m170 -57.92 -50.49 73.17 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.18 0.514 . . . . 0.0 109.93 176.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.3 mt -55.72 -46.3 77.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.699 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.25 -44.58 75.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.871 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' ' 111' ' ' ASP . 56.9 tp -59.32 -42.21 90.89 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.485 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -57.0 -43.95 82.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.08 176.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.61 -33.34 64.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.558 -177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -79.1 -58.79 3.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 111.362 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -100.11 -36.55 9.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.937 -170.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 135.33 175.39 13.82 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.042 -1.075 . . . . 0.0 113.337 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -69.37 -42.13 75.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 110.623 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.575 ' HB2' ' HB2' ' A' ' 60' ' ' LYS . 4.1 p30 -69.45 -24.34 63.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.902 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.33 59.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.04 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.487 ' HA ' HD21 ' A' ' 102' ' ' LEU . 21.3 t70 -64.35 -51.57 62.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.837 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.0 mt -54.45 -31.74 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.166 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.475 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 14.1 t70 -72.63 -20.66 61.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.006 -173.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.4 p -52.48 -42.61 64.4 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -171.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.35 -43.28 96.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 111.471 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.451 HG21 ' HG3' ' A' ' 52' ' ' ARG . 50.9 mt -89.33 -11.63 10.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.709 0.766 . . . . 0.0 110.052 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.46 -30.59 59.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.222 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.2 m -90.81 105.81 13.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.391 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.68 -45.86 27.02 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.863 2.375 . . . . 0.0 112.927 -174.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.34 -41.8 90.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.37 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.89 -53.75 51.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.099 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 29.2 m -62.59 -47.7 82.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 110.982 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -63.9 -47.7 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.273 -175.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.4 m -77.66 -18.92 56.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -172.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.403 ' HE2' ' HA ' ' A' ' 131' ' ' PRO . 54.2 t80 -92.22 -39.28 11.63 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.152 177.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.26 100.89 0.23 Allowed Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.889 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.83 -31.44 70.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.096 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -99.68 3.26 45.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.454 HG21 ' HB3' ' A' ' 4' ' ' GLU . 49.4 t -101.43 139.71 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.033 0.445 . . . . 0.0 111.812 -171.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.77 127.92 58.3 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.365 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.403 ' HA ' ' HE2' ' A' ' 125' ' ' PHE . 8.4 Cg_endo -50.15 128.99 24.02 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.676 2.917 . . . . 0.0 114.013 -176.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.487 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 18.4 p90 -130.28 166.91 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.045 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.73 124.94 26.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.382 0.61 . . . . 0.0 110.85 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -86.78 141.69 28.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.836 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 101.95 37.5 3.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.742 171.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -70.8 -30.75 67.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.275 0.559 . . . . 0.0 110.392 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.13 -19.49 39.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.408 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -95.4 9.41 40.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.103 -172.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -127.93 140.99 51.67 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -139.97 110.62 6.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.102 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 57.92 31.6 20.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.994 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.3 m80 66.52 10.74 7.59 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.188 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 77.6 t60 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.885 -0.579 . . . . 0.0 109.467 177.371 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.746 ' H1 ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.746 ' HD2' ' H1 ' ' A' ' 1' ' ' MET . 50.8 Cg_endo -72.12 179.36 5.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 CA-C-N 120.467 1.203 . . . . 0.0 109.191 161.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.9 t -72.14 97.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.926 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.9 151.23 51.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.058 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.555 HD12 HG21 ' A' ' 17' ' ' VAL . 34.6 tp -106.14 116.81 32.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.383 . . . . 0.0 110.144 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -80.82 160.17 24.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.096 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.28 -54.9 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.755 0.312 . . . . 0.0 111.007 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -96.28 88.39 4.77 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.522 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 44.6 p-90 -98.36 159.08 15.18 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.291 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -103.46 176.12 5.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 44.8 mm-40 -59.64 -38.84 82.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.649 0.261 . . . . 0.0 110.651 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.46 -38.4 77.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.914 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.522 ' HB2' ' HB2' ' A' ' 9' ' ' TRP . 5.8 m-20 -64.31 -54.01 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.846 176.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' HG12 ' A' ' 18' ' ' ILE . 52.5 tp -56.3 -46.81 79.63 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.856 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 53.6 mm-40 -52.99 -57.2 11.14 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.36 177.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.6 m -57.56 -40.02 78.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.722 -176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG21 HD12 ' A' ' 5' ' ' LEU . 50.2 t -59.93 -62.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-O 120.91 0.386 . . . . 0.0 111.35 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 14' ' ' LEU . 16.6 pt -69.23 -27.39 34.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.317 -175.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 42.4 ttt85 -72.22 -31.12 65.56 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.315 0.384 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.18 -37.18 78.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.92 176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.28 -61.43 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.293 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.511 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -162.15 -154.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -176.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -110.88 139.26 46.35 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.924 -0.485 . . . . 0.0 109.809 172.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.849 ' HG2' ' H ' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -71.5 -74.49 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.26 -171.807 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.849 ' H ' ' HG2' ' A' ' 24' ' ' GLN . 15.4 t -122.96 160.65 25.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -175.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.1 mt -72.32 85.29 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.96 -87.45 1.26 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.445 -175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -172.23 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 t70 64.21 -165.02 0.24 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.817 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -125.56 -33.52 2.77 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.6 t -134.92 96.98 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.619 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.29 136.08 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.97 23.93 13.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.44 -175.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.646 ' HA ' HG11 ' A' ' 38' ' ' VAL . 35.4 t 62.35 74.37 0.44 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.881 -177.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -69.58 -89.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.911 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -145.29 128.56 16.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD21 ' HB3' ' A' ' 61' ' ' SER . 97.6 mt 68.75 7.68 6.28 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 171.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.646 HG11 ' HA ' ' A' ' 34' ' ' SER . 14.8 p -65.87 -26.71 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 109.687 176.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.2 t -69.06 -40.26 78.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.09 175.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.57 86.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.904 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.23 -48.78 80.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.91 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 p -66.98 -40.73 87.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.577 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.87 -35.0 79.2 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.139 -0.224 . . . . 0.0 110.917 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.0 tp -71.02 -38.32 72.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.126 0.488 . . . . 0.0 109.921 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.449 ' O ' ' HZ2' ' A' ' 9' ' ' TRP . 41.5 ttp180 -61.94 -46.64 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.647 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.89 -29.37 68.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.13 0.49 . . . . 0.0 110.703 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.59 24.23 28.84 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.008 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -83.23 -28.6 29.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.088 0.47 . . . . 0.0 109.964 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 48.0 pt -121.73 153.47 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.596 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 59.6 p -92.93 -179.18 5.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.542 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.474 HG13 ' HA ' ' A' ' 130' ' ' VAL . 61.5 t -65.14 -33.92 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.044 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.421 ' HD2' HG22 ' A' ' 122' ' ' THR . 27.7 ttt180 -55.12 -48.23 73.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.353 174.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.527 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 6.2 mm-40 -72.0 -37.71 69.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.746 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 82.8 t80 -57.75 -54.32 48.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.272 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.78 -38.58 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.938 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.51 ' HD3' HG22 ' A' ' 116' ' ' ILE . 30.8 ttp85 -57.63 -46.19 84.47 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.76 -43.33 69.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.085 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 HG21 HD11 ' A' ' 37' ' ' LEU . 69.2 t -62.94 -50.63 78.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.99 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.55 -34.94 70.43 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 37.0 ttmt -90.55 12.45 18.7 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.887 0.375 . . . . 0.0 111.595 -177.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.529 ' HB3' HD21 ' A' ' 37' ' ' LEU . 81.2 p -74.48 -13.4 60.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.001 -0.437 . . . . 0.0 111.136 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 57.52 79.27 0.2 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.5 -176.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.77 156.21 20.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.377 173.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.405 ' HD2' ' HG2' ' A' ' 66' ' ' GLU . 64.9 t80 -52.9 131.99 36.51 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HA ' ' HE1' ' A' ' 68' ' ' PHE . 28.1 mmtp -75.71 77.54 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.127 -172.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.405 ' HG2' ' HD2' ' A' ' 64' ' ' TYR . 35.3 mt-10 -87.97 -161.44 0.72 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.828 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -72.94 80.05 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.843 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.403 ' HE1' ' HA ' ' A' ' 65' ' ' LYS . 28.9 p90 -152.06 -34.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.568 173.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.703 HD12 HG13 ' A' ' 77' ' ' VAL . 54.2 tp -96.13 -1.55 48.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.659 0.742 . . . . 0.0 109.93 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -137.29 137.2 38.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.603 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.17 -131.55 2.38 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.925 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -80.3 -52.12 8.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.612 0.244 . . . . 0.0 111.542 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -131.22 142.32 50.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -83.13 -26.09 31.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.682 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.408 HG23 HD11 ' A' ' 100' ' ' LEU . 22.0 p -60.16 -41.48 92.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.068 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -72.35 -22.83 61.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.731 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.703 HG13 HD12 ' A' ' 69' ' ' LEU . 62.6 t -66.31 -49.14 78.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.515 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 73.5 mt -61.91 -40.58 87.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.805 175.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.01 -39.2 81.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.02 -54.95 40.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.045 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -67.24 -42.91 83.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.361 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.2 t80 -56.31 -48.99 75.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.825 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.524 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 77.8 tttt -69.04 -32.39 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.21 -175.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -82.75 -36.37 25.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.078 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.525 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 97.7 mt -83.46 -53.91 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -176.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.7 mt -82.81 -11.16 58.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.163 -0.336 . . . . 0.0 111.155 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.714 ' CA ' ' HA ' ' A' ' 133' ' ' TYR . . . 70.59 15.12 72.97 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.254 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.483 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 44.4 mtm105 -127.86 138.53 52.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.581 -0.309 . . . . 0.0 110.331 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.524 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . . . -80.81 129.13 69.25 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -40.86 108.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.554 2.836 . . . . 0.0 112.496 -178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -84.91 -34.03 22.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.064 -173.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -117.71 141.12 48.76 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.247 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -64.29 -23.4 67.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.587 0.232 . . . . 0.0 110.687 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 m -60.88 -35.3 76.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.529 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.28 -43.74 98.38 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.342 0.592 . . . . 0.0 109.744 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.7 t -70.46 -51.14 40.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.789 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 70.4 mt -59.74 -39.44 79.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.178 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.02 -51.26 68.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.616 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.448 ' HD1' ' CG ' ' A' ' 111' ' ' ASP . 36.9 m-70 -69.64 -37.65 76.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.311 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.408 HD11 HG23 ' A' ' 75' ' ' THR . 82.7 mt -56.09 -49.19 74.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.977 0.418 . . . . 0.0 110.551 175.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.67 -48.32 81.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.293 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' ' 111' ' ' ASP . 58.9 tp -62.86 -42.39 99.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.112 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -58.07 -41.65 83.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.01 0.433 . . . . 0.0 110.747 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.93 -33.85 72.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.16 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -76.6 -58.5 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.817 -176.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -105.9 -37.06 6.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.88 -171.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.46 -173.44 15.99 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.309 -0.948 . . . . 0.0 113.028 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.5 -45.58 86.66 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.718 0.407 . . . . 0.0 111.968 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -64.41 -32.34 73.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 111.161 -173.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.46 -33.08 42.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.231 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.477 ' HA ' HD21 ' A' ' 102' ' ' LEU . 18.6 t70 -63.59 -47.58 80.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.283 0.563 . . . . 0.0 109.575 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 115' ' ' TYR . 32.1 mm -57.57 -37.84 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.635 173.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.82 -40.63 97.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.384 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.7 p -63.39 -29.63 70.89 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 110.931 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.525 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 24.5 t80 -62.88 -34.62 77.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.769 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.51 HG22 ' HD3' ' A' ' 56' ' ' ARG . 40.0 mm -92.79 -24.07 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.286 0.565 . . . . 0.0 110.574 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.44 -19.43 59.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.761 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.53 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 5.1 p -78.8 111.01 16.33 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 121.175 0.512 . . . . 0.0 110.915 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.19 -52.34 2.13 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.038 2.492 . . . . 0.0 113.541 -172.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.62 -34.71 78.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.781 -175.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.53 ' CD1' ' HB2' ' A' ' 118' ' ' SER . 81.9 m-85 -68.0 -34.24 76.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.939 177.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.421 HG22 ' HD2' ' A' ' 52' ' ' ARG . 66.0 m -65.63 -44.19 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.098 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.58 -25.17 64.37 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.336 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 m -62.84 -19.31 63.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.387 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -121.67 -40.31 2.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 103.3 -167.63 17.0 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.676 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.596 ' O ' ' HB ' ' A' ' 50' ' ' THR . 1.6 m-20 -103.38 -11.28 17.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -121.26 10.29 10.59 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.791 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 94.0 t -114.22 135.22 54.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 176.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.521 ' O ' ' HD1' ' A' ' 132' ' ' TYR . 68.6 t -83.59 128.2 64.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.426 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.95 117.24 3.19 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.045 2.496 . . . . 0.0 111.851 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.521 ' HD1' ' O ' ' A' ' 130' ' ' VAL . 40.9 p90 -130.51 158.4 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.432 -174.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.714 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 40.9 p90 -69.31 148.4 49.78 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -42.57 132.62 3.6 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.782 0.676 . . . . 0.0 111.792 -174.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -78.51 57.48 4.15 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.502 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.2 mp 61.42 -93.36 0.04 OUTLIER 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.08 0.552 . . . . 0.0 110.619 -174.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -178.91 171.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.371 0.419 . . . . 0.0 110.347 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 50.1 70.96 0.44 Allowed 'General case' 0 C--O 1.235 0.331 0 O-C-N 124.195 0.934 . . . . 0.0 112.412 168.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -71.65 -27.92 63.4 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -68.36 132.52 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 172.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -74.68 -74.24 0.21 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -169.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -128.9 144.6 51.22 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.789 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 . . . . . 0 C--O 1.247 0.955 0 O-C-N 123.868 0.73 . . . . 0.0 110.916 178.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.52 170.33 10.44 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.07 2.513 . . . . 0.0 111.63 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.34 106.61 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.555 ' HB3' HG22 ' A' ' 129' ' ' VAL . 1.2 pm0 -111.15 155.25 23.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.291 0.567 . . . . 0.0 111.307 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.1 tp -91.54 127.83 37.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -85.36 153.15 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.024 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.36 92.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.632 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -97.79 85.17 3.49 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 172.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -104.36 164.82 11.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.312 -176.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.47 ' HB3' ' OD1' ' A' ' 13' ' ' ASP . 23.2 t -125.82 177.22 6.42 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.09 -41.14 91.05 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -173.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -72.58 -37.31 68.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -173.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 10' ' ' SER . 0.9 OUTLIER -74.39 -34.08 63.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.456 176.759 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.71 -44.41 96.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.233 0.54 . . . . 0.0 109.604 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.98 -38.92 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.104 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -66.2 -42.44 88.82 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.408 ' O ' HG21 ' A' ' 21' ' ' VAL . 96.2 t -59.81 -52.36 61.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.41 177.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.9 -43.42 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.793 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 23' ' ' ARG . 37.2 ttm105 -62.12 -39.34 92.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.309 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HA ' ' OE1' ' A' ' 24' ' ' GLN . . . -65.84 -29.49 69.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.248 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 17' ' ' VAL . 54.7 t -80.12 -35.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.344 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.702 ' HH ' HG22 ' A' ' 58' ' ' VAL . 96.5 m-85 -100.54 -91.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -175.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 4.6 mmp_? -130.56 131.42 45.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.739 0.304 . . . . 0.0 111.342 -170.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' OE1' ' HA ' ' A' ' 20' ' ' ALA . 13.9 mm100 -90.52 63.4 5.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.311 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.2 t 72.08 -55.12 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.455 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -69.75 134.46 48.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.045 0.45 . . . . 0.0 110.563 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.64 86.11 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -100.31 -15.08 18.15 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.685 0.278 . . . . 0.0 111.44 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -131.31 162.74 29.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.401 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 70.75 -2.02 2.41 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.589 0.755 . . . . 0.0 111.734 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -88.87 102.5 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.658 0.742 . . . . 0.0 110.876 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.2 ttp -128.23 129.48 46.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.252 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 68.7 113.56 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.996 0.81 . . . . 0.0 110.197 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 p -74.03 70.3 1.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.338 -174.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -157.43 135.82 11.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.46 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -101.85 75.6 1.56 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp 44.24 74.98 0.11 Allowed 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.012 0.82 . . . . 0.0 111.326 -175.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.646 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 11.0 p -61.44 -27.49 42.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.136 -175.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.662 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.3 t -66.14 -45.58 80.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.952 0.406 . . . . 0.0 109.984 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.88 64.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.543 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.646 ' HG2' ' HA ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -62.49 -40.45 96.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.24 -177.281 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.526 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 19.1 p -69.65 -35.71 75.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 39' ' ' SER . 91.6 mt -61.88 -50.62 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 175.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.81 -37.08 83.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.044 0.449 . . . . 0.0 110.351 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.744 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.39 -0.75 57.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 111.362 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.3 26.08 60.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.562 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.17 -41.38 70.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 109.942 176.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.738 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 37.6 pt -125.0 171.0 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.378 -177.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.436 HG23 ' CZ2' ' A' ' 128' ' ' TRP . 68.4 p -104.37 -175.7 2.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.383 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.506 HG23 ' CE3' ' A' ' 128' ' ' TRP . 79.8 t -63.51 -33.14 59.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.595 0.235 . . . . 0.0 110.529 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 56' ' ' ARG . 74.1 mtt180 -51.49 -56.06 15.42 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.97 174.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.738 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 4.7 mm-40 -67.38 -30.17 69.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.251 -175.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.565 ' O ' HG21 ' A' ' 58' ' ' VAL . 52.5 t80 -65.6 -54.79 22.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.009 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.32 -34.08 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.107 0.48 . . . . 0.0 109.899 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.52 ' HG3' HG13 ' A' ' 116' ' ' ILE . 66.0 ttt180 -54.6 -47.63 73.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.624 177.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.62 74.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.448 -178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.702 HG22 ' HH ' ' A' ' 22' ' ' TYR . 21.4 t -67.91 -18.66 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.146 0.498 . . . . 0.0 111.565 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.74 -48.88 8.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.467 ' HA ' HD11 ' A' ' 112' ' ' ILE . 18.2 ptmt -90.11 -20.83 22.68 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.929 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m 56.47 -171.15 0.08 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 64' ' ' TYR . 11.3 mm-40 -94.57 169.6 10.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.148 174.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.2 tp 72.55 -13.87 0.61 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.75 0.42 . . . . 0.0 112.074 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' A' ' 62' ' ' GLU . 98.2 m-85 71.83 -62.59 0.45 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.461 0.704 . . . . 0.0 111.018 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.514 ' HG2' HD22 ' A' ' 69' ' ' LEU . 63.2 mttp -96.96 65.69 2.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -79.03 59.88 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.547 0.689 . . . . 0.0 110.327 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 69.45 -32.87 0.24 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.787 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -65.71 -31.62 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.021 0.438 . . . . 0.0 110.563 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD22 ' HG2' ' A' ' 65' ' ' LYS . 47.5 tp -97.12 75.54 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -100.71 -8.1 23.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.117 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.82 -131.9 10.71 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.04 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 m120 64.01 -80.08 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.076 0.551 . . . . 0.0 111.109 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -114.22 101.89 9.61 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.496 ' O ' HG12 ' A' ' 78' ' ' ILE . 57.5 tp60 -62.85 -33.91 76.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.921 -173.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -38.57 89.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.899 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 30.8 mtp180 -70.52 -33.48 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.947 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.486 ' HA ' HD12 ' A' ' 80' ' ' LEU . 59.1 t -62.61 -33.04 57.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.373 0.606 . . . . 0.0 109.739 176.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.544 HD13 ' CD2' ' A' ' 99' ' ' HIS . 34.6 mm -63.09 -50.67 78.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.664 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.96 -38.79 83.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.128 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 77' ' ' VAL . 95.3 mt -55.82 -48.17 75.89 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.979 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -65.84 -39.31 90.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.697 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.489 ' HD2' ' HD2' ' A' ' 88' ' ' ARG . 22.3 m-85 -63.27 -39.08 93.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.777 0.323 . . . . 0.0 111.373 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -80.45 -15.25 57.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.585 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -87.19 -41.11 13.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.827 178.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.507 HD13 HG23 ' A' ' 112' ' ' ILE . 18.7 mt -93.72 -53.94 3.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -173.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.9 mt -99.64 -1.87 36.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.702 0.287 . . . . 0.0 111.043 -172.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 133' ' ' TYR . . . 58.56 33.7 73.03 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -174.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.489 ' HD2' ' HD2' ' A' ' 82' ' ' TYR . 18.3 mtt180 -87.68 149.48 24.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 112.094 -173.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.434 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . . . -110.61 114.66 54.63 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 161.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 6.0 Cg_exo -36.9 111.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.167 3.245 . . . . 0.0 113.422 -170.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -78.23 -47.64 17.54 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.451 -173.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.646 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 38.5 t70 -144.86 160.35 41.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.145 177.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.34 -21.28 65.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.666 -177.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.9 p -58.65 -42.39 88.26 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 8.9 pt-20 -64.88 -39.77 94.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.073 0.463 . . . . 0.0 109.848 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.423 HG12 HG23 ' A' ' 78' ' ' ILE . 74.8 t -62.67 -47.32 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.367 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.463 ' HA ' HD13 ' A' ' 100' ' ' LEU . 80.8 mt -59.99 -44.91 95.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.956 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -64.96 -32.85 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.988 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.544 ' CD2' HD13 ' A' ' 78' ' ' ILE . 8.4 t60 -76.24 -33.8 59.2 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 97' ' ' ILE . 86.8 mt -58.52 -44.01 89.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.958 0.409 . . . . 0.0 110.107 173.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.74 -45.36 94.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.104 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.48 HD21 ' HA ' ' A' ' 111' ' ' ASP . 29.1 tp -61.23 -41.47 96.93 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.8 0.333 . . . . 0.0 110.305 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 108' ' ' PHE . 73.6 t80 -58.04 -44.86 87.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.909 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.77 -39.48 56.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.234 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.78 -52.82 10.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.108 -173.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -112.82 -36.67 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.014 -175.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.42 163.08 11.33 Favored Glycine 0 C--O 1.228 -0.232 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.696 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.545 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 45.6 p90 -64.97 -24.83 67.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.894 0.378 . . . . 0.0 111.399 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 6.3 p-10 -72.04 -32.05 66.74 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.17 -34.25 49.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.954 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 108' ' ' PHE . 71.5 m-20 -47.67 -62.52 1.41 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.697 0.761 . . . . 0.0 109.885 171.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.507 HG23 HD13 ' A' ' 85' ' ' LEU . 96.8 mt -61.09 -38.97 80.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.572 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 2.9 t70 -71.98 -33.6 68.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.601 -173.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.4 p -59.49 -35.99 75.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.796 0.332 . . . . 0.0 111.725 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -73.39 -16.68 61.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.636 -174.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.52 HG13 ' HG3' ' A' ' 56' ' ' ARG . 48.6 mm -71.94 -26.4 25.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.268 0.556 . . . . 0.0 110.204 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -107.35 -11.33 15.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.211 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.3 p -55.52 132.68 71.04 Favored Pre-proline 0 C--O 1.238 0.466 0 CA-C-O 121.085 0.469 . . . . 0.0 111.433 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.09 -38.9 94.11 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.974 2.45 . . . . 0.0 112.484 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.17 -36.98 85.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.714 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.478 ' HE1' ' HG3' ' A' ' 131' ' ' PRO . 79.4 t80 -60.35 -55.7 30.4 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 177.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.0 m -63.25 -43.97 96.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.019 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -65.36 -47.08 77.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.089 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.4 m -84.54 -45.0 13.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.2 -40.07 8.96 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.387 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 107.21 -161.67 13.66 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.076 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -103.88 -51.13 3.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.719 0.295 . . . . 0.0 111.772 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.506 ' CE3' HG23 ' A' ' 51' ' ' VAL . 80.8 m95 -95.96 10.1 38.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.572 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 4' ' ' GLU . 61.4 t -96.07 129.48 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.169 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 86.9 t -71.91 125.2 91.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.013 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.478 ' HG3' ' HE1' ' A' ' 121' ' ' TYR . 17.1 Cg_exo -65.22 102.37 0.45 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.681 2.254 . . . . 0.0 111.194 177.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -89.4 133.11 34.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.715 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.526 ' HA ' ' HA3' ' A' ' 87' ' ' GLY . 35.7 t80 -55.77 122.77 12.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 173.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.541 ' HG3' HH11 ' A' ' 134' ' ' ARG . 21.4 mmm-85 -62.81 -22.47 66.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.233 -172.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.425 ' O ' ' HB2' ' A' ' 136' ' ' LEU . . . 67.55 52.0 33.04 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -174.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 135' ' ' GLY . 95.9 mt 71.29 149.63 0.09 Allowed 'General case' 0 C--O 1.234 0.259 0 O-C-N 124.366 0.686 . . . . 0.0 110.563 -172.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -71.64 107.61 4.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.684 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -79.24 129.53 34.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.652 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -63.38 136.42 57.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -48.1 108.54 0.17 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -174.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -179.09 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.653 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.1 129.72 36.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.642 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.386 -175.392 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 16.7 tpt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 2.5 Cg_endo -81.71 155.32 18.13 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.067 2.511 . . . . 0.0 111.888 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -84.69 119.11 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' HG3' HG23 ' A' ' 129' ' ' VAL . 35.5 tt0 -125.86 137.13 53.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.912 0.387 . . . . 0.0 110.712 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.537 ' O ' ' HB3' ' A' ' 128' ' ' TRP . 28.5 tp -108.56 99.04 8.47 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.438 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 16.3 ptt180 -105.01 166.68 10.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.47 -177.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.88 46.0 0.16 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.265 0.555 . . . . 0.0 112.333 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -153.75 26.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.438 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 69.2 p-90 -82.22 144.57 30.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.751 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 m -94.82 160.3 14.66 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 169.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -60.09 -35.91 76.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.036 0.38 . . . . 0.0 110.348 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.92 -40.51 84.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.454 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 17' ' ' VAL . 6.5 m-20 -72.06 -30.61 65.31 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.658 ' HG ' ' HG2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -61.04 -43.69 98.5 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 174.09 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.01 -33.78 76.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.545 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.4 m -62.18 -44.0 97.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.497 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.444 HG21 HD11 ' A' ' 5' ' ' LEU . 90.4 t -62.03 -53.15 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.331 -178.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 pt -63.68 -39.3 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.438 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -20.0 61.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.477 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.48 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 175.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.96 -42.48 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.569 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -82.29 -0.85 47.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.198 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 66.88 163.92 0.19 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.345 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -98.14 77.6 2.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.037 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 50.7 t -74.56 -53.17 17.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.881 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -177.98 -52.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.45 -47.41 0.23 Allowed Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -132.95 -178.54 5.0 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 172.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 28.7 t70 -120.25 17.88 12.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.989 0.423 . . . . 0.0 110.288 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.421 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 89.7 m-85 71.56 -55.07 0.67 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.546 -177.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.54 154.49 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 67.8 mtt -65.4 99.5 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.07 -16.85 13.71 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.872 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.3 m 73.41 -46.28 0.63 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.123 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 58.25 73.9 0.45 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 36' ' ' ARG . 46.6 mtt180 -93.8 -133.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.017 -173.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD22 ' OG ' ' A' ' 61' ' ' SER . 80.9 mt 64.37 27.03 13.66 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.319 0.581 . . . . 0.0 110.831 -176.665 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.23 -25.94 38.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.801 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.406 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 6.4 m -64.39 -42.9 95.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.162 176.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.74 64.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.3 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.38 -46.32 88.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.869 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -70.08 -43.78 70.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 39' ' ' SER . 82.7 mt -62.96 -28.66 70.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.538 0.209 . . . . 0.0 111.09 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.62 -46.75 65.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.137 177.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.658 ' HG2' ' HG ' ' A' ' 14' ' ' LEU . 63.6 mtt180 -65.31 -33.66 76.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 110.749 177.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.498 ' OD1' ' HE3' ' A' ' 48' ' ' LYS . 2.0 t-20 -82.51 -7.35 59.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.829 -177.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.07 32.98 77.72 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 113.156 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HE3' ' OD1' ' A' ' 46' ' ' ASN . 93.7 mttt -96.96 -16.18 20.75 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.608 -0.348 . . . . 0.0 111.271 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 pp -131.81 155.35 41.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.467 ' OG1' ' HG2' ' A' ' 53' ' ' GLU . 76.4 p -89.14 172.72 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 ' O ' HG21 ' A' ' 55' ' ' VAL . 86.2 t -65.02 -34.01 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.669 0.271 . . . . 0.0 110.825 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.717 ' HD2' ' CE2' ' A' ' 121' ' ' TYR . 61.9 mtm-85 -68.7 -32.01 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.313 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.467 ' HG2' ' OG1' ' A' ' 50' ' ' THR . 60.1 mm-40 -66.79 -37.8 85.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 110.042 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.445 ' O ' HG21 ' A' ' 58' ' ' VAL . 52.9 t80 -62.2 -45.34 93.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.564 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 51' ' ' VAL . 59.3 t -63.12 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.893 177.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.517 ' HB2' HG12 ' A' ' 116' ' ' ILE . 9.3 ttm180 -55.21 -46.81 75.93 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.213 0.53 . . . . 0.0 110.047 178.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.96 83.66 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.749 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 54' ' ' PHE . 63.8 t -59.74 -42.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.167 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.493 ' HB3' HD23 ' A' ' 85' ' ' LEU . . . -64.37 -28.77 69.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.771 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -101.8 16.11 26.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.49 . . . . 0.0 110.721 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.496 ' OG ' HD22 ' A' ' 37' ' ' LEU . 63.1 m -109.13 -164.68 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.188 -0.32 . . . . 0.0 111.856 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 67.53 -173.69 0.19 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.524 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.24 126.55 30.33 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 61.2 m-85 -63.35 146.19 54.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 64' ' ' TYR . 97.5 mttt 66.89 -139.82 0.14 Allowed 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 68.09 -72.99 0.09 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.12 0.568 . . . . 0.0 111.262 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -105.71 -24.22 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -101.76 -170.7 1.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.746 ' HB3' HG21 ' A' ' 77' ' ' VAL . 2.0 tm? -167.79 135.99 2.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.209 0.528 . . . . 0.0 111.169 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.64 ' N ' HD21 ' A' ' 69' ' ' LEU . 36.6 p90 -131.84 131.09 42.52 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.804 169.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.53 44.28 4.64 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.163 -0.542 . . . . 0.0 112.499 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.678 ' HB3' HD12 ' A' ' 69' ' ' LEU . 7.0 t-20 -171.47 -151.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -68.67 105.85 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.285 0.564 . . . . 0.0 110.355 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -83.94 -24.28 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.622 -173.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 p -43.88 -60.5 1.8 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -173.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.519 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 44.4 mtm105 -60.59 -35.43 76.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.496 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.746 HG21 ' HB3' ' A' ' 69' ' ' LEU . 42.5 t -65.07 -43.86 95.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.511 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.85 -37.83 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.34 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.08 -30.65 71.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.7 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 91.1 mt -73.09 -54.0 9.63 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -52.59 -49.57 64.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.941 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.404 ' HH ' ' CD ' ' A' ' 95' ' ' GLU . 1.8 t80 -62.58 -44.85 95.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.924 -177.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -72.79 -19.1 61.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.225 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -94.74 -53.71 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.76 0.314 . . . . 0.0 111.281 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 59' ' ' ALA . 73.7 mt -77.68 -37.39 49.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.175 -170.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.689 ' HG ' ' HD2' ' A' ' 115' ' ' TYR . 84.5 mt -102.52 -10.69 19.12 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.099 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.44 21.55 64.67 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.004 -0.544 . . . . 0.0 113.354 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -132.64 162.84 30.31 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.435 -0.45 . . . . 0.0 110.486 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.5 153.52 37.81 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.422 -173.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -68.56 95.75 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.748 2.299 . . . . 0.0 111.675 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -90.18 -21.07 22.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.274 0.559 . . . . 0.0 110.224 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -127.73 144.92 51.05 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.58 ' O ' HG12 ' A' ' 97' ' ' ILE . 12.1 pt-20 -69.98 -25.74 63.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.717 0.294 . . . . 0.0 110.434 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -59.15 -31.99 69.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.824 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.404 ' CD ' ' HH ' ' A' ' 82' ' ' TYR . 64.2 mm-40 -59.18 -49.29 78.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.107 0.479 . . . . 0.0 109.938 176.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.44 -45.31 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 93' ' ' GLU . 45.1 mm -56.02 -47.97 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.001 0.429 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -62.26 -42.86 99.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.114 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -72.49 -30.47 64.56 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.107 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.55 -50.03 75.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.009 0.433 . . . . 0.0 110.015 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.43 -50.14 70.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.709 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.23 -47.96 77.44 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.87 0.367 . . . . 0.0 111.091 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -56.16 -48.97 75.28 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.967 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.451 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 6.0 mm-40 -73.57 -17.73 61.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.748 -177.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -66.97 -55.14 15.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 0.0 111.051 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.511 ' HB2' ' HB1' ' A' ' 110' ' ' ALA . 30.7 mt-10 -120.56 -37.93 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -172.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 141.21 -177.17 21.22 Favored Glycine 0 C--O 1.238 0.366 0 C-N-CA 120.077 -1.059 . . . . 0.0 113.458 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -63.49 -33.72 76.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.317 -0.442 . . . . 0.0 110.592 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.95 -44.23 97.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.511 ' HB1' ' HB2' ' A' ' 106' ' ' GLU . . . -59.74 -41.11 90.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.996 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.08 -59.15 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.181 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 42.0 mm -51.66 -49.01 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.5 -22.34 64.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.7 p -72.07 -34.94 69.1 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.097 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.689 ' HD2' ' HG ' ' A' ' 86' ' ' LEU . 83.8 m-85 -57.52 -53.6 56.3 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.886 0.374 . . . . 0.0 111.138 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.517 HG12 ' HB2' ' A' ' 56' ' ' ARG . 2.7 mp -69.21 -31.02 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.799 -172.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.52 -16.27 37.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.77 0.319 . . . . 0.0 111.177 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.5 t -59.19 129.14 86.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.084 0.469 . . . . 0.0 111.504 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . 0.54 ' O ' HG21 ' A' ' 122' ' ' THR . 27.9 Cg_endo -62.56 -39.64 43.38 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.13 2.554 . . . . 0.0 112.727 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.29 -26.72 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.207 0.527 . . . . 0.0 110.309 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.717 ' CE2' ' HD2' ' A' ' 52' ' ' ARG . 23.4 t80 -75.6 -39.89 57.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.652 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.54 HG21 ' O ' ' A' ' 119' ' ' PRO . 2.8 t -74.44 -24.94 59.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.958 0.409 . . . . 0.0 110.311 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -77.53 -33.35 54.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.454 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.2 p -81.18 -41.94 21.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.702 -177.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.416 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 94.2 m-85 -108.35 -38.82 5.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.62 -168.98 18.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.446 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.449 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 16.4 m-20 -95.71 -22.23 17.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.749 0.309 . . . . 0.0 111.084 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.537 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 89.2 m95 -118.41 10.17 12.62 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.496 HG23 ' HG3' ' A' ' 4' ' ' GLU . 97.4 t -112.17 135.36 51.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.822 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.93 124.25 89.42 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.199 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.441 ' HG3' ' OH ' ' A' ' 121' ' ' TYR . 37.9 Cg_endo -65.29 109.15 1.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.804 2.336 . . . . 0.0 112.231 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -105.8 145.3 31.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -62.93 129.06 38.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.274 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -69.09 93.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.721 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -80.71 159.25 42.01 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.402 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.48 109.58 4.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.228 0.537 . . . . 0.0 110.479 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.4 ' C ' ' H ' ' A' ' 139' ' ' HIS . 36.4 tt0 64.45 88.81 0.1 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.785 -175.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -82.44 22.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.572 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.4 ' H ' ' C ' ' A' ' 137' ' ' GLU . 56.4 t60 -91.51 -17.89 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.08 178.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -124.9 129.28 50.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.845 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -72.01 118.01 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.412 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -91.99 -67.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.154 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.752 179.868 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HE3' HH21 ' A' ' 6' ' ' ARG . 16.3 ttt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.78 37.03 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.627 2.218 . . . . 0.0 112.583 -178.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.39 103.23 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.771 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.65 145.97 47.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.756 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.503 ' HB2' HG21 ' A' ' 17' ' ' VAL . 33.6 tp -100.98 116.24 32.37 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.524 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 3.4 mpt_? -80.76 161.92 24.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.322 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.08 81.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 110.302 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -104.09 46.93 0.89 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.751 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -62.35 156.28 22.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.253 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t -106.53 167.41 9.87 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 171.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.13 -33.51 67.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 110.255 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.28 -45.68 90.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.466 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -68.96 -43.44 75.0 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.252 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD13 ' HG ' ' A' ' 44' ' ' LEU . 33.1 tp -57.32 -51.88 67.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.728 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.29 -30.94 71.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.418 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.9 m -63.2 -47.73 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.023 0.439 . . . . 0.0 110.178 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 5' ' ' LEU . 94.7 t -64.75 -47.66 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 70.4 mt -61.39 -48.66 87.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.279 -178.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -61.33 -33.45 73.64 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.202 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.76 84.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.284 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -83.88 -32.79 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.499 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.496 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -77.82 57.84 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.349 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -90.88 31.03 1.11 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.389 0.614 . . . . 0.0 110.073 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.42 ' H ' ' HG3' ' A' ' 24' ' ' GLN . 1.4 pp0? -61.13 160.51 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.829 179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 p -123.84 -9.55 7.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.485 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.719 ' H ' HD12 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -91.46 157.5 17.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.3 -177.368 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.98 -91.06 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.718 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 63.4 105.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.188 0.595 . . . . 0.0 111.691 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 t70 64.06 -170.42 0.19 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.076 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -130.62 -15.15 3.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.75 120.15 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.173 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.82 76.38 0.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.189 0.931 . . . . 0.0 110.175 -177.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.38 95.7 6.0 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 174.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 p -83.87 135.05 34.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -169.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 67.84 22.37 8.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.117 171.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -74.83 119.47 19.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 172.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.746 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.7 pt? -78.82 51.96 1.17 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.389 0.614 . . . . 0.0 112.201 -172.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.1 p -63.99 -25.41 38.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.458 0.647 . . . . 0.0 109.385 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.0 p -64.27 -39.02 93.09 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.357 175.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.39 95.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.322 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.54 -39.3 87.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.55 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.5 t -65.1 -44.93 87.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.418 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 39' ' ' SER . 96.0 mt -63.02 -33.24 75.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.094 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HG ' HD13 ' A' ' 14' ' ' LEU . 38.3 tp -71.51 -41.2 69.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.472 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -66.1 -29.58 69.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.98 0.419 . . . . 0.0 111.21 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -91.05 8.11 37.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.078 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 34.03 87.3 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 113.178 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -92.53 -41.12 10.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.753 0.311 . . . . 0.0 111.061 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 43.0 pt -106.47 155.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.595 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.3 p -90.83 174.17 7.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.125 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.493 HG23 ' CE3' ' A' ' 128' ' ' TRP . 90.9 t -61.47 -32.83 54.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.78 ' HD2' HG23 ' A' ' 122' ' ' THR . 3.9 mmp_? -61.39 -49.36 77.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.243 176.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.536 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 58.9 mm-40 -63.47 -42.36 98.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.05 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -63.31 -50.73 68.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.674 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.12 -42.48 90.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.554 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.879 ' HD3' HG13 ' A' ' 116' ' ' ILE . 17.9 ttp180 -61.41 -42.17 98.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.64 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.49 87.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.169 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG22 HD13 ' A' ' 37' ' ' LEU . 56.9 t -66.65 -45.88 87.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.804 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.34 78.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.628 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.489 ' HD2' ' HG2' ' A' ' 56' ' ' ARG . 7.2 mtpp -76.19 -13.41 60.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.576 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.0 p -110.53 -92.95 0.44 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.196 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 65.0 -58.66 0.26 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.538 0.735 . . . . 0.0 110.415 -173.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.4 tp 77.68 161.96 0.22 Allowed 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 124.074 0.949 . . . . 0.0 111.142 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 69.91 -174.1 0.18 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.408 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.636 ' HG2' ' HB2' ' A' ' 70' ' ' TYR . 14.0 mptt -112.52 -94.79 0.45 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.606 ' HG3' ' HD2' ' A' ' 67' ' ' LYS . 11.3 tp10 57.04 92.66 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.395 0.434 . . . . 0.0 111.657 174.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.606 ' HD2' ' HG3' ' A' ' 66' ' ' GLU . 8.4 mttp 79.54 -42.2 0.26 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.239 176.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -108.74 161.96 14.62 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.986 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.2 tp 74.04 -58.5 0.59 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.32 -0.854 . . . . 0.0 112.004 175.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.636 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 26.4 t80 -103.71 82.68 2.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.793 0.33 . . . . 0.0 110.163 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.54 114.77 0.3 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.791 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 71.76 -90.55 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.598 0.759 . . . . 0.0 112.652 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -136.98 159.59 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -173.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.79 -26.93 40.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -58.48 -29.09 65.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.851 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -56.85 -35.35 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.308 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.0 t -73.84 -36.31 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.302 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.14 -41.99 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.345 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.59 -52.01 67.37 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 tt -52.31 -55.38 21.81 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.69 HD22 HG12 ' A' ' 112' ' ' ILE . 45.8 t-20 -54.28 -61.12 2.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.596 -1.183 . . . . 0.0 111.236 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.79 -28.17 63.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.995 -171.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.45 -26.42 66.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.942 0.401 . . . . 0.0 110.161 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -95.65 -37.55 10.77 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.07 -37.36 26.53 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.9 mt -98.1 -18.59 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.283 0.563 . . . . 0.0 110.151 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.642 ' CA ' ' HA ' ' A' ' 133' ' ' TYR . . . 85.44 13.74 69.96 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.071 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -168.07 135.33 2.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.5 160.18 77.62 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.855 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -46.58 138.24 14.53 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.104 2.536 . . . . 0.0 112.586 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -68.92 -58.85 3.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.841 -171.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 93' ' ' GLU . 35.5 t70 -137.09 -177.4 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.596 0.236 . . . . 0.0 110.925 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.511 ' H ' ' CG ' ' A' ' 92' ' ' ASP . 8.0 tp10 -51.21 -37.2 45.49 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.083 0.953 . . . . 0.0 112.052 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 p -54.07 -45.1 71.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.552 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.23 -40.1 78.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.048 0.451 . . . . 0.0 110.154 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.1 t -61.91 -51.17 75.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.478 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.35 -51.18 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.68 -43.61 85.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.334 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -79.05 -34.48 43.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.22 -42.09 98.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.54 -55.14 35.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.705 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 111' ' ' ASP . 28.0 tp -66.04 -43.47 87.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.922 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.04 -46.64 87.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.325 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -85.23 -29.1 24.93 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.794 -175.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.41 -57.7 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.095 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -93.93 -32.18 13.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.324 -173.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.57 167.25 12.93 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.008 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -64.82 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.72 -49.31 73.37 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.541 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.26 -44.78 82.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.414 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.503 ' HA ' HD22 ' A' ' 102' ' ' LEU . 28.0 t70 -65.01 -42.87 94.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.69 HG12 HD22 ' A' ' 81' ' ' ASN . 74.1 mt -61.46 -34.3 60.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.337 0.589 . . . . 0.0 110.896 176.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.607 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -70.03 -25.48 63.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.605 -176.581 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.8 m -61.38 -28.34 69.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.87 -37.7 86.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.63 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.879 HG13 ' HD3' ' A' ' 56' ' ' ARG . 46.2 mm -77.87 -24.12 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.288 -178.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.74 14.21 1.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.417 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -110.71 80.78 2.24 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.891 0.377 . . . . 0.0 110.0 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.64 -43.29 0.66 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.409 2.073 . . . . 0.0 112.503 -175.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -57.01 -48.1 79.28 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.081 0.467 . . . . 0.0 110.63 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -65.09 -41.17 95.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.312 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.78 HG23 ' HD2' ' A' ' 52' ' ' ARG . 54.3 m -61.02 -47.3 87.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.406 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -57.87 -37.16 73.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.952 0.406 . . . . 0.0 110.579 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 m -84.5 -17.96 37.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.827 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -98.92 -38.4 9.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.846 0.355 . . . . 0.0 111.33 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 147.83 106.82 0.45 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.691 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -65.18 -42.83 93.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.197 0.522 . . . . 0.0 110.301 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.493 ' CE3' HG23 ' A' ' 51' ' ' VAL . 79.2 m95 -114.55 38.02 3.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.55 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 58.0 t -118.21 143.07 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.552 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 63.2 t -78.78 127.33 80.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.157 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.78 130.91 37.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.97 2.447 . . . . 0.0 113.026 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -126.1 163.81 22.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.416 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.642 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 18.8 p90 -72.01 122.46 20.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.36 0.6 . . . . 0.0 111.235 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.16 107.69 11.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.463 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.61 -76.4 0.26 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.159 -0.543 . . . . 0.0 113.104 -174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.96 159.63 44.03 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.675 0.274 . . . . 0.0 110.512 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.773 ' HG2' ' H ' ' A' ' 138' ' ' HIS . 1.3 pm0 -87.24 -84.84 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.281 174.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.773 ' H ' ' HG2' ' A' ' 137' ' ' GLU . 30.3 m80 -155.03 162.82 40.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -153.41 139.05 17.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.062 0.458 . . . . 0.0 110.81 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -116.84 113.26 22.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.332 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -127.25 94.89 4.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.98 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -129.02 163.71 24.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.43 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.615 177.008 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 73.3 mtp . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.674 0.273 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 3.1 Cg_exo -75.77 116.83 4.55 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.743 2.295 . . . . 0.0 111.523 175.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.442 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 43.7 t -76.68 99.12 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -101.26 151.54 21.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.904 0.383 . . . . 0.0 111.417 -174.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.49 HD12 HG22 ' A' ' 17' ' ' VAL . 61.9 tp -115.83 111.64 20.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.593 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -95.25 162.51 13.66 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.199 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.97 -21.85 66.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.986 0.422 . . . . 0.0 111.012 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -113.44 87.05 2.52 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.506 ' CZ2' ' HG3' ' A' ' 45' ' ' ARG . 47.4 p-90 -109.5 152.85 24.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.476 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -86.64 150.99 23.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.079 171.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 38.8 tt0 -53.98 -45.98 71.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.61 -176.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.59 -25.16 62.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.392 . . . . 0.0 111.045 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.22 -46.52 73.57 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.0 -38.38 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.357 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 11.6 mm-40 -55.66 -41.65 73.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.725 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -70.35 -38.23 74.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.49 HG22 HD12 ' A' ' 5' ' ' LEU . 96.3 t -59.86 -53.71 44.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.99 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.483 ' HB ' ' CZ ' ' A' ' 22' ' ' TYR . 30.9 pt -69.31 -30.26 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.083 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -67.29 -26.05 66.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.878 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.24 -31.73 38.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.447 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.2 -51.21 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.645 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.483 ' CZ ' ' HB ' ' A' ' 18' ' ' ILE . 23.8 p90 -133.13 140.73 47.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.07 0.462 . . . . 0.0 110.275 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -78.47 124.28 27.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.533 0.682 . . . . 0.0 112.286 -175.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -143.22 111.09 5.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.674 -1.148 . . . . 0.0 107.937 170.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.6 t -68.54 -50.71 53.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.754 -170.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.37 154.99 47.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.915 0.388 . . . . 0.0 110.702 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.65 91.31 1.72 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 172.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -83.48 176.41 9.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.934 0.397 . . . . 0.0 111.31 -176.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -95.58 12.09 30.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.601 -174.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -78.73 83.41 4.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.397 0.618 . . . . 0.0 111.113 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -76.85 -14.97 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.223 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 88.7 mtp -75.09 -10.37 59.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.337 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.79 32.8 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.157 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.3 p -71.56 -2.61 17.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.387 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -81.87 74.42 8.85 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.943 -0.473 . . . . 0.0 111.153 -177.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -166.38 71.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.97 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.58 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 77.9 mt 67.0 27.55 8.75 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 167.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.75 -36.84 68.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.972 0.415 . . . . 0.0 111.015 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.48 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 49.6 m -63.23 -40.76 98.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.983 0.421 . . . . 0.0 110.282 177.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.1 86.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.492 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.58 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 61.0 mt-10 -57.09 -50.8 71.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 177.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -62.51 -39.95 95.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.013 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 39' ' ' SER . 88.1 mt -66.34 -40.18 89.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.973 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 tp -71.1 -40.96 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.353 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.506 ' HG3' ' CZ2' ' A' ' 9' ' ' TRP . 65.9 ttp85 -57.69 -37.12 72.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.134 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -94.23 10.29 34.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.285 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.36 30.07 64.16 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.127 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -84.65 -28.45 26.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.009 0.433 . . . . 0.0 110.447 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.61 153.26 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.109 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.3 p -76.37 154.97 34.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG23 ' CE3' ' A' ' 128' ' ' TRP . 84.2 t -60.36 -36.23 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.689 ' HD3' HG21 ' A' ' 122' ' ' THR . 18.7 ttp180 -56.26 -47.4 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.164 0.507 . . . . 0.0 110.434 176.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -70.11 -36.23 74.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.661 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' HZ ' ' HE2' ' A' ' 22' ' ' TYR . 91.7 t80 -60.01 -51.96 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 177.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.9 -40.15 82.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.71 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.451 ' HB2' HG22 ' A' ' 116' ' ' ILE . 12.9 ttp180 -57.16 -50.48 72.69 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.299 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.99 -51.07 71.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.766 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.532 HG21 HD11 ' A' ' 37' ' ' LEU . 86.3 t -56.73 -51.75 62.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.821 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.61 -28.6 68.63 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -173.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -100.65 5.7 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -174.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.503 ' OG ' HD21 ' A' ' 37' ' ' LEU . 62.2 p -120.07 16.75 12.47 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -174.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.08 133.76 43.88 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.173 0.511 . . . . 0.0 110.881 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.79 -63.53 1.26 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.867 -170.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -120.22 160.83 22.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.881 0.372 . . . . 0.0 111.088 -173.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.505 ' HG3' HD23 ' A' ' 69' ' ' LEU . 87.4 tttt -92.83 95.3 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.682 176.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -129.06 -159.28 0.94 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.514 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -64.96 91.64 0.09 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.248 0.546 . . . . 0.0 111.844 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.5 p90 175.95 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 174.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.687 HD12 HG12 ' A' ' 77' ' ' VAL . 55.7 tp -103.52 -22.15 13.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.876 -1.057 . . . . 0.0 109.41 174.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -101.32 133.81 45.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.244 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.16 175.38 46.08 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.02 -61.57 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 0.0 109.759 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -86.62 82.95 7.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.98 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -57.71 -22.2 45.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.776 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.434 HG22 HG11 ' A' ' 96' ' ' VAL . 17.9 m -44.65 -37.83 3.92 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.324 172.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -31.37 69.41 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.642 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.687 HG12 HD12 ' A' ' 69' ' ' LEU . 47.0 t -72.39 -40.61 64.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.864 0.364 . . . . 0.0 110.666 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -43.96 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 0.0 109.921 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 47.4 mt-10 -63.39 -36.99 85.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.961 175.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 10.2 tt -55.42 -48.87 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.927 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.73 -39.34 91.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -50.43 74.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.696 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 14.8 mtpp -69.56 -24.41 63.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.319 -176.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -90.58 -40.01 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.5 HD11 HG23 ' A' ' 112' ' ' ILE . 94.9 mt -89.77 -42.82 11.08 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.694 -173.289 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' HG ' ' HD1' ' A' ' 115' ' ' TYR . 53.7 mt -96.1 -21.73 17.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.112 0.482 . . . . 0.0 110.439 177.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.53 18.87 57.91 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.17 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.449 ' HA ' ' CE1' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -156.57 176.91 12.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.319 0.56 . . . . 0.0 110.738 175.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.91 157.18 46.37 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.096 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.21 142.12 56.96 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.448 2.098 . . . . 0.0 111.774 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -78.41 -33.45 48.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.312 0.577 . . . . 0.0 109.683 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -146.91 158.64 43.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.162 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.48 ' O ' HG13 ' A' ' 97' ' ' ILE . 13.4 pt-20 -75.06 -10.81 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.53 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 p -59.82 -39.03 83.69 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.226 0.536 . . . . 0.0 109.98 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.402 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 37.0 mt-10 -64.79 -39.61 93.88 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.488 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.434 HG11 HG22 ' A' ' 75' ' ' THR . 58.2 t -61.24 -44.99 99.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.357 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 93' ' ' GLU . 72.7 mt -56.79 -45.19 82.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.734 177.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -58.96 -43.73 91.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.772 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 47.4 m-70 -72.37 -34.59 68.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.308 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.23 -49.02 79.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.124 0.488 . . . . 0.0 109.953 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.25 -48.38 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.732 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 111' ' ' ASP . 52.3 tp -60.56 -45.33 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.821 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.01 -37.77 86.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.059 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.2 -33.79 29.23 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.937 -177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -81.53 -58.98 2.78 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.396 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -94.06 -32.85 13.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.75 0.31 . . . . 0.0 111.318 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.5 176.59 17.97 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.856 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -63.22 -24.75 68.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 110.787 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.54 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 16.4 t70 -55.51 -48.71 74.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.449 176.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.1 -35.18 59.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.24 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.41 ' HA ' HD21 ' A' ' 102' ' ' LEU . 29.5 t70 -59.69 -57.71 11.76 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.5 HG23 HD11 ' A' ' 85' ' ' LEU . 63.5 mt -62.13 -37.66 79.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.073 0.463 . . . . 0.0 110.812 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 1.3 t70 -67.27 -33.67 75.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.395 -175.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 87.0 p -58.32 -39.81 80.41 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.449 ' HD1' ' HG ' ' A' ' 86' ' ' LEU . 93.7 m-85 -64.25 -37.45 87.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.354 0.597 . . . . 0.0 110.596 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 56' ' ' ARG . 40.1 mt -90.35 -15.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.221 -170.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -75.62 -16.42 60.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.142 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.2 t -92.16 110.98 47.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.922 0.392 . . . . 0.0 111.142 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.0 -25.27 16.45 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.541 2.16 . . . . 0.0 111.68 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.53 -53.19 60.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.97 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -72.93 -33.29 65.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.127 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.689 HG21 ' HD3' ' A' ' 52' ' ' ARG . 95.5 m -58.19 -55.92 28.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.032 0.444 . . . . 0.0 110.524 176.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.478 ' HA ' ' OD1' ' A' ' 127' ' ' ASP . 4.4 t-20 -65.77 -26.4 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.906 -178.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.2 t -79.22 -17.59 54.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.916 -177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.578 ' HE2' ' HB3' ' A' ' 131' ' ' PRO . 1.9 t80 -114.93 -38.38 3.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.34 -176.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.628 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 154.72 103.37 0.22 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.814 178.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.478 ' OD1' ' HA ' ' A' ' 123' ' ' ASN . 4.9 m-20 -65.95 -34.59 78.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 110.603 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.425 ' CE3' HG23 ' A' ' 51' ' ' VAL . 91.9 m95 -120.56 26.27 9.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.978 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.628 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 61.7 t -121.65 137.14 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.478 -176.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.442 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 61.3 t -79.13 120.57 81.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.578 ' HB3' ' HE2' ' A' ' 125' ' ' PHE . 50.8 Cg_exo -54.98 141.77 77.93 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.256 2.638 . . . . 0.0 113.604 -176.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -123.24 172.38 8.66 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.449 ' CE1' ' HA ' ' A' ' 88' ' ' ARG . 2.4 t80 -81.43 129.85 34.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.084 0.468 . . . . 0.0 111.21 -177.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 67.51 70.74 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.688 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.561 ' HA3' ' CE1' ' A' ' 125' ' ' PHE . . . -118.71 77.5 0.3 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.576 177.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 37.0 mt 62.09 95.18 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 112.469 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -27.55 40.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.645 175.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -123.64 116.84 23.76 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 171.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.71 112.76 1.74 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.544 0.688 . . . . 0.0 111.705 -172.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 24.1 m170 62.09 -89.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.406 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -163.37 -171.43 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.652 0.263 . . . . 0.0 110.907 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -130.38 -178.6 4.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.825 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 . . . . . 0 C--O 1.245 0.836 0 CA-C-O 118.547 -0.74 . . . . 0.0 109.942 177.545 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttm . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.96 155.21 69.34 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.646 2.231 . . . . 0.0 111.788 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.24 107.58 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.983 0.421 . . . . 0.0 109.885 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -140.32 147.99 40.7 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.604 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.532 ' HB2' HG21 ' A' ' 17' ' ' VAL . 31.6 tp -106.47 102.54 11.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.8 mtm-85 -73.49 151.8 40.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.559 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.16 -41.0 64.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.867 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -93.58 89.62 6.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.252 0.549 . . . . 0.0 109.706 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.524 ' HH2' ' HG3' ' A' ' 45' ' ' ARG . 64.4 p-90 -115.2 160.36 19.82 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.359 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -109.96 169.22 8.87 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 171.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.87 -36.36 65.04 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.016 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.82 -37.98 86.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.568 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' HG22 ' A' ' 17' ' ' VAL . 20.5 m-20 -63.26 -51.64 65.32 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.169 0.509 . . . . 0.0 109.925 175.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.26 -44.78 84.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.748 -177.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -55.42 -51.68 66.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.965 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.3 m -60.9 -40.32 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 5' ' ' LEU . 96.3 t -65.53 -50.18 73.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.803 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.24 -39.01 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.198 0.523 . . . . 0.0 110.827 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.459 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 2.6 tmm_? -66.2 -30.73 71.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.575 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.94 -37.87 21.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.451 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 17' ' ' VAL . 96.7 t -65.03 -51.51 65.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.877 0.37 . . . . 0.0 110.264 178.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -82.71 72.4 9.78 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 174.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -79.63 99.23 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.697 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -80.33 89.99 5.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.09 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.454 HG13 HD21 ' A' ' 26' ' ' LEU . 25.7 t -75.77 -50.7 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD21 HG13 ' A' ' 25' ' ' VAL . 3.4 mm? -128.52 -172.43 2.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.899 172.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.98 143.4 10.53 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.396 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -81.04 162.73 23.66 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.67 -174.71 5.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -78.37 82.29 4.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.172 0.511 . . . . 0.0 111.003 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m -84.66 1.53 4.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.209 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.3 mmt 68.58 29.7 5.4 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.693 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.44 -51.38 24.21 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m 59.42 23.85 12.42 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.142 -0.936 . . . . 0.0 113.064 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.62 ' HG3' ' H ' ' A' ' 37' ' ' LEU . 17.2 tp10 -98.21 -61.78 1.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 61.69 14.5 6.15 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.297 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.62 ' H ' ' HG3' ' A' ' 35' ' ' GLU . 86.6 mt 63.83 29.7 14.63 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.422 177.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.7 -26.04 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.339 0.59 . . . . 0.0 109.736 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.578 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.1 p -63.6 -41.23 98.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.322 174.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.06 84.35 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.307 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -58.57 -43.64 89.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.032 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.2 t -64.55 -41.01 96.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.957 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 39' ' ' SER . 85.9 mt -58.37 -46.57 86.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.912 0.386 . . . . 0.0 110.267 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.2 tp -66.65 -43.96 83.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.302 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.524 ' HG3' ' HH2' ' A' ' 9' ' ' TRP . 32.6 ttt180 -61.84 -38.13 87.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.906 -176.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.66 8.8 35.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.087 -176.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.41 32.1 68.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.145 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -88.59 -31.73 18.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.876 0.37 . . . . 0.0 110.346 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.783 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 43.0 pt -135.9 166.57 26.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.858 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p -97.63 -176.54 3.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 55' ' ' VAL . 95.6 t -62.1 -28.16 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 110.339 177.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.474 ' CD ' HG21 ' A' ' 122' ' ' THR . 28.4 mtm180 -62.8 -51.0 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.465 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.783 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 3.9 mp0 -66.97 -33.83 76.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.98 0.419 . . . . 0.0 110.333 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' O ' HG21 ' A' ' 58' ' ' VAL . 69.8 t80 -62.53 -53.67 51.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.452 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 51' ' ' VAL . 93.6 t -63.71 -35.39 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.555 HH21 ' HG3' ' A' ' 53' ' ' GLU . 59.0 ttp85 -61.91 -42.2 98.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.399 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -35.2 80.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.815 0.341 . . . . 0.0 110.681 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 54' ' ' PHE . 69.2 t -70.82 -46.28 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.945 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.81 -33.6 66.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.779 -176.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.52 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 53.1 mtpt -100.41 17.15 22.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.387 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 p -66.83 170.46 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.161 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 11.7 pt-20 -79.91 168.0 19.8 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.266 -0.271 . . . . 0.0 111.707 -175.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 99.3 mt 72.28 173.71 0.3 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.934 0.771 . . . . 0.0 111.213 -177.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.6 t80 56.83 68.74 0.82 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.646 0.591 . . . . 0.0 111.031 174.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 69' ' ' LEU . 62.3 mttp -150.8 177.7 9.85 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 72.57 89.66 0.09 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 124.358 1.036 . . . . 0.0 112.005 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.504 ' C ' ' H ' ' A' ' 69' ' ' LEU . 97.6 mttt 63.24 116.84 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.095 0.872 . . . . 0.0 111.424 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.495 ' O ' ' HB2' ' A' ' 69' ' ' LEU . 16.3 t80 66.0 -10.55 0.24 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.403 -171.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.6 ' HG ' HG13 ' A' ' 77' ' ' VAL . 61.8 mt 68.51 39.95 2.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.573 -166.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.538 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER 173.51 -40.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 173.491 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -123.03 -103.29 1.66 Allowed Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.683 -173.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -126.46 174.4 8.66 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 122.92 -0.165 . . . . 0.0 111.271 -175.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 69.92 104.26 0.06 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.391 0.676 . . . . 0.0 112.232 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -64.06 -39.64 94.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.987 176.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.7 m -56.64 -32.24 65.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.117 0.484 . . . . 0.0 111.422 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -68.1 -24.9 65.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.749 -176.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.6 HG13 ' HG ' ' A' ' 69' ' ' LEU . 83.9 t -61.87 -52.45 60.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.16 0.505 . . . . 0.0 109.771 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.424 HD13 ' HB2' ' A' ' 99' ' ' HIS . 48.4 mt -56.76 -45.96 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.821 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.2 -42.79 99.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.161 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.57 -37.75 73.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.23 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.38 -42.81 99.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.663 0.268 . . . . 0.0 110.61 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -63.78 -43.78 95.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.242 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.31 -32.5 73.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 111.423 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -81.29 -29.5 34.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.839 -175.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.9 mt -101.35 -53.66 2.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.1 mt -105.22 -26.61 11.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 111.433 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.658 ' HA3' ' HA ' ' A' ' 133' ' ' TYR . . . 75.24 14.91 81.47 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.572 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -123.07 132.87 54.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.47 155.45 58.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 123.565 0.54 . . . . 0.0 111.395 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.23 143.34 26.23 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.167 2.578 . . . . 0.0 112.115 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.64 ' HB2' ' HG3' ' A' ' 95' ' ' GLU . 83.7 m-85 -68.77 -33.97 74.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.42 -170.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -156.98 167.67 29.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.526 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.6 tp10 -63.41 -41.24 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 175.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -65.76 -34.52 78.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.045 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.64 ' HG3' ' HB2' ' A' ' 91' ' ' TYR . 1.4 tm-20 -58.87 -44.01 90.99 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.125 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.57 -43.19 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.746 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 93' ' ' GLU . 47.9 mm -58.63 -42.33 84.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.467 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -58.8 -42.97 90.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.709 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 54.0 m-70 -71.71 -35.65 70.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.417 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 86.9 mt -58.27 -48.05 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.265 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.0 -35.95 82.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.708 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.15 -42.36 99.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.454 ' O ' ' HA2' ' A' ' 107' ' ' GLY . 23.0 t80 -63.15 -36.68 84.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.193 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 46.2 mt-10 -75.7 -47.57 25.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.854 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -59.1 3.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.978 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.97 -36.13 8.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.747 -172.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 103' ' ' TYR . . . 111.2 177.69 20.4 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.643 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.454 ' O ' HG12 ' A' ' 112' ' ' ILE . 23.3 p90 -60.75 -24.17 65.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.564 -0.318 . . . . 0.0 111.011 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.52 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -53.78 -59.92 3.99 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 175.35 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 113' ' ' ASP . . . -66.0 -28.63 69.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.388 -177.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -63.62 -43.82 95.73 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.669 -0.413 . . . . 0.0 109.892 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.454 HG12 ' O ' ' A' ' 108' ' ' PHE . 36.2 mm -67.76 -45.24 84.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 121.413 0.625 . . . . 0.0 110.045 174.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.437 ' HB2' ' HA ' ' A' ' 110' ' ' ALA . 8.8 m-20 -63.74 -20.24 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.101 -178.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 m -47.7 -42.71 25.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.425 0.155 . . . . 0.0 111.314 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -88.33 -50.86 6.07 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.534 HG22 ' HB2' ' A' ' 56' ' ' ARG . 55.8 mt -74.53 -30.44 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -168.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.29 -13.2 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.838 0.352 . . . . 0.0 110.621 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.6 p -100.15 117.63 62.87 Favored Pre-proline 0 C--O 1.236 0.376 0 CA-C-O 121.235 0.54 . . . . 0.0 110.83 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.86 -39.82 58.65 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.765 2.31 . . . . 0.0 112.515 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.71 -45.25 92.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.9 0.381 . . . . 0.0 111.145 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -71.5 -34.94 70.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.446 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.474 HG21 ' CD ' ' A' ' 52' ' ' ARG . 28.4 m -75.89 -50.93 13.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.996 0.427 . . . . 0.0 110.61 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.32 -19.91 62.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.1 t -47.37 -49.61 24.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.565 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -127.88 -12.11 5.36 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 151.42 144.81 4.0 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 119.512 -1.328 . . . . 0.0 113.81 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.21 -32.74 18.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.502 0.668 . . . . 0.0 110.085 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . 0.446 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 82.0 m95 -103.45 19.1 20.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.157 -173.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 59.2 t -93.91 141.24 15.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.794 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.49 136.19 71.67 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.38 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -39.03 119.8 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 124.316 3.344 . . . . 0.0 113.033 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -87.27 143.83 27.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.303 -174.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . 0.708 ' HD2' ' HB2' ' A' ' 136' ' ' LEU . 34.6 t80 -109.7 122.18 46.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 160.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.64 100.87 3.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.024 0.44 . . . . 0.0 110.201 -175.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 106.44 -121.29 6.59 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.702 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.708 ' HB2' ' HD2' ' A' ' 133' ' ' TYR . 16.3 tp 71.97 -50.42 0.69 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.017 0.927 . . . . 0.0 112.196 176.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.18 114.55 21.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.955 0.407 . . . . 0.0 111.13 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -135.01 72.6 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.956 0.884 . . . . 0.0 110.714 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -131.93 106.53 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.254 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -157.56 83.62 0.9 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 72.63 138.26 0.05 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 124.034 0.834 . . . . 0.0 111.616 175.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -124.77 -6.8 7.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.362 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.503 174.239 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.537 ' HB3' ' HD2' ' A' ' 2' ' ' PRO . 4.3 mpp? . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 1' ' ' MET . 50.8 Cg_exo -53.37 153.04 18.38 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.523 2.149 . . . . 0.0 111.774 175.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.12 109.61 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.185 0.517 . . . . 0.0 111.902 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.42 156.75 30.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.118 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 tp -112.42 100.29 8.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.513 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 84.9 mtt-85 -80.73 158.08 25.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.225 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.63 37.16 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.401 . . . . 0.0 111.979 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 6' ' ' ARG . 7.7 t30 -169.86 77.09 0.09 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.513 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 42.5 p-90 -118.61 169.96 9.36 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.549 -173.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t -114.67 172.45 7.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 170.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.61 -33.71 75.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.598 0.237 . . . . 0.0 111.288 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.35 -43.9 96.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.149 0.499 . . . . 0.0 109.729 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.15 -44.68 83.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.163 177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.81 -46.07 90.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.859 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -58.72 -37.44 76.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.425 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.6 m -61.42 -43.06 99.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.566 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' ' 21' ' ' VAL . 62.9 t -69.81 -49.45 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.012 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.14 -50.22 78.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.296 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -67.08 -31.84 72.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.492 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.62 -33.34 75.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 110.753 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 17' ' ' VAL . 68.1 t -76.93 -53.15 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.083 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.612 ' HH ' ' HB2' ' A' ' 37' ' ' LEU . 1.7 p90 -156.32 -171.0 3.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.043 -175.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 66.13 37.32 5.19 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.637 0.732 . . . . 0.0 109.853 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -78.72 14.52 1.3 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.059 -176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.7 m -81.73 134.16 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.078 0.466 . . . . 0.0 110.745 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -109.94 125.89 53.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.784 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.494 ' HA3' HG12 ' A' ' 31' ' ' VAL . . . -148.99 133.21 4.41 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.302 178.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -92.81 -50.04 5.77 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -127.68 133.34 49.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.535 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 63.77 82.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.677 0.61 . . . . 0.0 110.636 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.494 HG12 ' HA3' ' A' ' 27' ' ' GLY . 34.9 m -95.19 148.01 5.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.963 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.431 ' O ' ' HG3' ' A' ' 32' ' ' MET . 25.4 ptt? -121.79 106.66 11.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.392 0.615 . . . . 0.0 110.402 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.41 96.99 6.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.628 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.7 m -70.42 -37.54 74.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.466 0.651 . . . . 0.0 110.063 175.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -116.23 95.4 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.618 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HB2' HG11 ' A' ' 38' ' ' VAL . 10.9 ptt180 -103.27 -47.94 4.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.743 -177.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.612 ' HB2' ' HH ' ' A' ' 22' ' ' TYR . 94.1 mt 52.19 44.16 29.94 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.212 0.529 . . . . 0.0 110.776 -179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.442 HG11 ' HB2' ' A' ' 36' ' ' ARG . 17.0 m -60.76 -33.75 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.933 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.409 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 14.0 m -67.28 -41.72 84.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.065 0.46 . . . . 0.0 110.295 177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.03 -36.32 77.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.47 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.01 -49.07 79.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.518 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.8 m -58.47 -42.74 88.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.726 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.5 mt -60.62 -38.88 86.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.042 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.5 tp -78.18 -40.25 38.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.827 0.346 . . . . 0.0 110.812 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' HH2' ' A' ' 9' ' ' TRP . 58.6 ttt180 -68.41 -34.19 75.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.471 -175.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -85.2 -24.52 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.526 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.59 49.1 2.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.965 -0.635 . . . . 0.0 113.087 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -98.42 -47.84 5.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.568 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 pt -96.53 172.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 -175.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.3 p -102.6 168.54 9.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.291 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.1 t -64.5 -28.29 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.102 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -55.4 -44.6 76.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.38 176.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.17 -34.7 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.875 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.03 -47.59 85.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.25 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.039 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 33.0 ttm180 -49.16 -52.45 26.37 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.422 178.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.37 86.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.678 -175.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.9 t -73.82 -40.76 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.072 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.41 ' HB3' HD13 ' A' ' 85' ' ' LEU . . . -56.34 -52.6 63.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.332 -174.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 16.3 ptpt -85.23 16.5 3.56 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.8 m -109.18 -91.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.149 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 48.64 32.96 3.79 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 122.842 0.457 . . . . 0.0 111.935 -175.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.9 mt 69.83 6.35 5.69 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.441 0.696 . . . . 0.0 112.299 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 69.04 -68.68 0.18 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.548 0.739 . . . . 0.0 111.561 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -149.52 114.77 5.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.429 0.633 . . . . 0.0 110.598 178.17 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.78 -33.86 0.84 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.766 173.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -135.29 -2.69 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.891 0.377 . . . . 0.0 110.513 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.438 ' HD2' HG13 ' A' ' 77' ' ' VAL . 41.7 p90 -139.29 179.78 6.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.521 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.412 HD21 ' HE3' ' A' ' 65' ' ' LYS . 22.6 tp 74.65 161.02 0.24 Allowed 'General case' 0 N--CA 1.469 0.518 0 O-C-N 124.109 0.881 . . . . 0.0 111.03 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.0 t80 69.91 -63.68 0.38 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.61 0.764 . . . . 0.0 111.516 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.0 -177.49 34.87 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.359 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 64.13 -156.17 0.31 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.5 130.22 37.36 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.971 0.415 . . . . 0.0 110.369 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.834 HE21 ' HA ' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -64.68 -26.57 68.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.678 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.472 HG23 HD23 ' A' ' 100' ' ' LEU . 54.7 p -61.61 -46.33 90.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.508 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.583 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 97.9 mtt180 -68.43 -28.74 67.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.605 -175.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.438 HG13 ' HD2' ' A' ' 68' ' ' PHE . 58.5 t -59.22 -50.29 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 175.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' A' ' 99' ' ' HIS . 70.0 mt -60.68 -42.57 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.296 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 75' ' ' THR . 49.1 mt-10 -58.72 -38.72 78.97 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 90.3 mt -61.35 -56.71 17.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -65.33 -36.16 83.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 110.296 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.487 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 7.7 t80 -55.89 -49.54 73.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.838 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -66.32 -40.19 89.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.089 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -62.79 -41.5 99.29 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 131' ' ' PRO . 93.0 mt -84.34 -50.47 7.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.336 -173.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.0 mt -96.73 -10.5 26.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -169.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.1 30.08 69.65 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.094 -174.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.504 ' HG3' ' HD2' ' A' ' 134' ' ' ARG . 69.0 ttt180 -143.91 141.07 30.06 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -171.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.89 147.92 37.19 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 120.502 0.191 . . . . 0.0 110.594 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.33 129.49 30.06 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.665 2.243 . . . . 0.0 111.754 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -81.21 -42.48 20.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.879 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -117.94 177.56 4.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.548 ' O ' HG12 ' A' ' 97' ' ' ILE . 32.7 tt0 -87.04 -28.48 22.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.52 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.6 t -63.29 -38.14 89.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.663 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -46.88 82.87 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.443 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 41.7 t -64.41 -41.34 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.042 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.548 HG12 ' O ' ' A' ' 93' ' ' GLU . 50.5 mm -58.94 -39.82 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -63.18 -41.68 99.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.225 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.502 ' HB3' HD13 ' A' ' 78' ' ' ILE . 89.7 m-70 -66.84 -38.59 86.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.647 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.472 HD23 HG23 ' A' ' 75' ' ' THR . 88.1 mt -58.12 -48.29 80.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.206 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 20.5 t70 -60.75 -47.62 85.5 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.475 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.24 -45.44 94.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.874 0.369 . . . . 0.0 111.004 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -58.94 -42.12 89.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.627 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -87.89 -18.32 29.45 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.664 -176.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.685 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 1.2 t-20 -85.17 -58.24 2.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.776 0.322 . . . . 0.0 111.253 -177.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -105.82 -33.56 7.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.291 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.77 172.33 12.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.298 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -67.41 -38.48 84.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.232 0.539 . . . . 0.0 109.732 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.474 ' CG ' ' HZ2' ' A' ' 60' ' ' LYS . 14.3 t70 -56.45 -40.37 74.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.564 177.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.95 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.764 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.07 -40.46 82.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.575 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 35.4 mm -64.28 -34.41 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.396 0.617 . . . . 0.0 110.313 175.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.519 ' HA ' HD11 ' A' ' 116' ' ' ILE . 9.7 t70 -70.39 -20.28 62.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.426 -175.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.3 p -54.08 -46.63 72.09 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.616 ' HD1' ' HB3' ' A' ' 121' ' ' TYR . 26.5 t80 -62.35 -29.69 70.64 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.141 0.496 . . . . 0.0 111.164 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' A' ' 113' ' ' ASP . 9.8 mt -85.16 -33.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 -176.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.46 -30.63 29.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.534 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 62.5 p -85.37 120.88 73.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 0.0 111.272 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.86 -25.47 52.82 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.346 2.031 . . . . 0.0 111.343 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.85 -58.13 9.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.793 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.616 ' HB3' ' HD1' ' A' ' 115' ' ' TYR . 45.6 m-85 -63.88 -39.15 93.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.744 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 76.8 m -56.88 -52.27 65.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.301 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -20.72 57.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.838 0.351 . . . . 0.0 110.791 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.8 t -63.62 -49.6 72.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.665 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -97.07 -34.7 11.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 124.93 135.35 4.36 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.408 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 52.8 t0 -69.07 -50.52 47.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -95.21 12.93 27.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.898 -177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.17 136.9 48.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.134 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.8 118.12 70.57 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.431 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -50.95 119.79 5.79 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.938 2.425 . . . . 0.0 112.53 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -87.41 160.74 18.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.094 -175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -78.1 136.98 37.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.052 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.504 ' HD2' ' HG3' ' A' ' 88' ' ' ARG . 1.8 ptm180 -76.63 -10.17 59.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.827 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -124.02 -149.44 7.71 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.962 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.0 tp 56.82 33.47 23.12 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.582 0.706 . . . . 0.0 110.141 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.31 140.78 57.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.356 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.408 ' HD2' ' HB2' ' A' ' 140' ' ' HIS . 74.6 t60 -61.74 119.41 8.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 174.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -57.87 -42.55 84.8 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.129 0.268 . . . . 0.0 111.063 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.408 ' HB2' ' HD2' ' A' ' 138' ' ' HIS . 6.6 t-80 64.27 92.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.418 0.628 . . . . 0.0 112.147 171.225 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -140.83 -38.61 0.43 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.347 171.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -87.1 90.64 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 172.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.0 t60 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.431 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.756 0.232 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 40.6 t -88.08 125.38 41.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -137.7 146.78 44.19 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp -99.89 107.82 19.91 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.408 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 88.9 mtt180 -90.0 159.55 16.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.956 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.65 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.328 0.585 . . . . 0.0 110.473 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -101.16 86.34 3.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.89 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.408 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 68.8 p-90 -118.69 150.2 40.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.439 0.637 . . . . 0.0 112.006 -174.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.7 t -98.22 155.62 17.09 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 170.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.766 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 34.6 mt-10 -57.89 -40.34 80.04 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.866 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -56.05 -36.25 67.84 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.04 0.448 . . . . 0.0 111.675 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 17' ' ' VAL . 33.3 t70 -67.91 -44.69 76.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.728 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' A' ' 45' ' ' ARG . 64.0 tp -66.95 -37.12 83.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.265 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.766 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 5.1 mm-40 -57.99 -36.32 72.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.283 0.563 . . . . 0.0 109.605 176.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -67.23 -43.14 82.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.383 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 13' ' ' ASP . 96.9 t -60.13 -55.4 24.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.436 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.4 pt -63.09 -34.92 69.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.491 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -75.41 -19.97 59.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.73 0.3 . . . . 0.0 111.563 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.83 -35.18 44.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.768 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.82 -42.67 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.448 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.249 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 58' ' ' VAL . 29.9 mt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.2 p -55.02 -33.27 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.966 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -76.04 -45.3 35.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.653 0.263 . . . . 0.0 110.704 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.71 99.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.689 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -58.9 -50.42 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.156 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 p -68.68 -39.54 80.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.369 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.5 mt -68.26 -38.29 81.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.502 0.191 . . . . 0.0 111.199 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.7 tp -71.82 -39.02 70.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.394 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.535 ' HA ' HD21 ' A' ' 14' ' ' LEU . 19.6 ttt85 -69.84 -18.62 63.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.669 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -94.35 -2.68 51.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.666 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.79 42.44 97.09 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.775 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -106.07 -36.53 6.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.826 0.346 . . . . 0.0 111.182 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.8 pt -103.31 152.9 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.6 p -84.85 162.55 19.48 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 55' ' ' VAL . 61.3 t -58.56 -34.65 51.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.189 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HD2' HG23 ' A' ' 122' ' ' THR . 1.0 OUTLIER -55.4 -49.77 71.47 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.415 0.626 . . . . 0.0 110.422 177.471 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.66 -33.67 72.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.82 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -66.37 -37.97 86.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.142 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 51' ' ' VAL . 53.1 t -57.46 -42.52 80.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.675 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 53.6 ttp180 -56.35 -51.84 66.8 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.955 0.407 . . . . 0.0 110.46 177.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.91 -44.21 91.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.593 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' HA ' HD11 ' A' ' 37' ' ' LEU . 59.5 t -73.47 -38.19 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.557 0.218 . . . . 0.0 111.495 -176.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.73 79.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 18.8 ptpt -113.11 17.34 18.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 110.921 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.0 p -55.65 -70.41 0.11 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.642 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -92.91 171.36 9.01 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.92 108.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.038 0.447 . . . . 0.0 110.498 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -69.29 -14.36 62.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.141 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.632 0.73 . . . . 0.0 109.17 175.417 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' HG23 ' A' ' 77' ' ' VAL . 99.3 m-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -56.74 -41.7 77.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.323 0.389 . . . . 0.0 110.982 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -58.97 -43.45 91.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.834 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.55 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 12.5 tpt180 -69.65 -40.58 76.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.159 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 73' ' ' PHE . 96.1 t -59.74 -44.94 94.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.73 -42.71 93.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.732 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.11 -37.54 87.83 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.5 mt -59.92 -50.37 74.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.485 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.98 -43.32 99.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.513 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.479 ' HD2' ' O ' ' A' ' 88' ' ' ARG . 1.3 t80 -57.84 -48.99 78.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.546 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -77.4 -19.92 55.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.264 -0.426 . . . . 0.0 112.103 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -94.98 -30.59 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.424 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.9 mt -101.89 -27.21 13.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.9 mt -112.31 -12.41 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.95 0.405 . . . . 0.0 110.711 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.76 14.82 81.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.372 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.479 ' O ' ' HD2' ' A' ' 82' ' ' TYR . 42.7 ttm180 -145.94 156.16 43.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -93.54 155.17 40.97 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.694 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.05 157.1 14.16 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.982 2.455 . . . . 0.0 112.712 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -98.5 -34.88 10.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.545 -175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -142.51 168.38 19.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.788 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HG2' HG12 ' A' ' 97' ' ' ILE . 32.9 tt0 -58.85 -27.16 64.87 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.805 0.442 . . . . 0.0 110.822 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.5 m -56.67 -41.76 77.83 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -174.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.57 -43.27 99.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.905 0.383 . . . . 0.0 110.417 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.59 -46.13 93.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.081 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.47 HG12 ' HG2' ' A' ' 93' ' ' GLU . 46.5 mm -61.16 -40.41 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.016 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.38 -44.42 95.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -72.39 -30.92 65.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.998 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.03 -44.9 94.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.35 174.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.21 -40.68 98.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.875 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.09 -40.79 96.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.985 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.68 -31.54 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.838 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.4 -33.02 37.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -73.13 -55.29 6.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.911 0.386 . . . . 0.0 111.257 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -120.21 -37.64 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.539 -174.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.98 -162.47 16.77 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.499 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -74.72 -33.0 62.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.965 0.506 . . . . 0.0 110.724 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.418 ' CG ' ' HZ3' ' A' ' 60' ' ' LYS . 8.1 t70 -60.04 -46.27 90.08 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.419 0.628 . . . . 0.0 110.383 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.74 68.08 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.896 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.59 -48.59 71.96 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 76.7 mt -58.93 -49.71 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.722 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.58 ' HA ' HD12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -58.07 -23.08 53.18 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 m -66.1 -34.04 77.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.725 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -76.92 -10.19 59.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 113' ' ' ASP . 31.6 mt -92.66 -57.82 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.345 -174.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -75.61 -8.7 57.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.172 -172.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.4 t -50.09 109.63 1.36 Allowed Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.887 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.22 -53.79 1.04 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.054 2.503 . . . . 0.0 113.664 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -34.67 73.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.684 0.278 . . . . 0.0 110.962 -172.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 125' ' ' PHE . 37.7 m-85 -70.26 -40.95 74.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.75 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.57 HG23 ' HD2' ' A' ' 52' ' ' ARG . 99.4 m -61.82 -51.85 66.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.771 0.32 . . . . 0.0 111.165 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -68.92 -43.98 74.06 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -175.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.4 t -80.53 -47.81 13.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 84.0 t80 -83.91 -39.19 20.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -172.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.594 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 159.23 127.7 0.93 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 119.643 -1.265 . . . . 0.0 113.441 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -51.14 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.06 0.457 . . . . 0.0 110.432 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -102.43 18.92 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.021 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.594 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 59.0 t -102.97 138.99 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.558 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 58.8 t -85.03 125.21 71.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.516 177.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.438 ' HA ' ' CE2' ' A' ' 125' ' ' PHE . 7.1 Cg_endo -49.39 110.86 0.4 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.714 2.943 . . . . 0.0 113.755 -176.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -106.35 167.16 10.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.512 175.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -65.75 100.9 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 0.0 110.467 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.843 178.097 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.533 ' HA ' ' CE1' ' A' ' 132' ' ' TYR . 9.3 Cg_exo . . . . . 0 N--CA 1.458 -0.567 0 N-CA-C 110.658 -0.555 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.8 t -69.48 98.94 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.895 0.378 . . . . 0.0 110.299 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 13.1 pt-20 -117.27 153.2 33.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.261 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 17' ' ' VAL . 12.3 tp -119.89 99.29 6.54 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.505 ' O ' ' HE3' ' A' ' 9' ' ' TRP . 20.7 ptt180 -84.66 162.19 19.81 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.077 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.3 36.46 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -166.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -168.97 77.26 0.11 Allowed 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 172.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.505 ' HE3' ' O ' ' A' ' 6' ' ' ARG . 12.9 p90 -111.14 166.38 11.12 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.764 -169.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -98.23 159.03 15.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.17 -24.73 65.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.106 0.479 . . . . 0.0 110.351 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.49 -38.51 91.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.919 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -67.75 -39.78 84.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.383 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.75 ' HG ' ' HG3' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -59.12 -47.22 86.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.538 176.81 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.43 -39.04 78.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.3 m -59.98 -44.72 94.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.377 176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.516 HG21 HD13 ' A' ' 5' ' ' LEU . 72.2 t -61.42 -47.79 91.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.579 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.456 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 92.2 mt -55.13 -51.93 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.885 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -63.1 -27.21 69.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.482 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.04 -36.45 56.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.648 0.261 . . . . 0.0 111.085 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 17' ' ' VAL . 88.8 t -72.47 -48.42 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.722 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 18' ' ' ILE . 87.4 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.866 0.365 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.01 -25.34 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.929 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.428 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 22.5 m -60.3 -48.28 82.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.913 0.387 . . . . 0.0 110.387 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.5 89.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.231 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.13 -41.15 87.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.924 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -68.79 -42.8 76.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.982 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD22 ' HD2' ' A' ' 48' ' ' LYS . 95.6 mt -61.34 -37.65 84.08 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.4 tp -72.51 -40.14 67.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.584 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.75 ' HG3' ' HG ' ' A' ' 14' ' ' LEU . 25.4 ttp180 -69.67 -33.35 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.339 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -80.27 -23.43 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.045 0.45 . . . . 0.0 110.476 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.68 54.28 1.45 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.532 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HD2' HD22 ' A' ' 43' ' ' LEU . 24.7 ttmm -116.25 -47.56 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.914 0.388 . . . . 0.0 110.609 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 40.5 pt -106.3 161.92 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.415 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -87.04 174.51 8.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.462 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 55' ' ' VAL . 83.9 t -65.89 -36.67 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 1.001 ' HD3' HG21 ' A' ' 122' ' ' THR . 5.3 ttp180 -60.31 -41.87 94.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 176.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 12.1 mm-40 -62.82 -38.32 90.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.019 0.438 . . . . 0.0 110.772 177.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -66.33 -50.7 62.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.304 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 51' ' ' VAL . 84.7 t -58.66 -43.09 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.692 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.501 ' HB2' HG21 ' A' ' 116' ' ' ILE . 20.9 ttt180 -52.29 -53.52 43.13 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.847 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.53 56.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.063 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.61 -35.06 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.609 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.41 79.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -99.9 10.81 40.69 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.489 -0.484 . . . . 0.0 112.206 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 p -98.11 -24.62 15.23 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.967 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.76 170.31 16.7 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.068 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.57 75.21 2.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.196 0.522 . . . . 0.0 110.942 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -62.35 -25.06 67.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.398 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.3 tptm . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.243 -177.525 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 77' ' ' VAL . 94.0 m-85 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 111.356 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -52.09 -39.52 59.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.759 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 HG11 ' A' ' 96' ' ' VAL . 6.0 m -58.33 -40.61 82.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.275 0.56 . . . . 0.0 111.013 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 13.8 mmm-85 -79.42 -23.6 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.055 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 73' ' ' PHE . 84.1 t -63.51 -37.04 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.359 0.599 . . . . 0.0 109.515 173.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.497 HD12 HG13 ' A' ' 96' ' ' VAL . 77.3 mt -64.0 -43.55 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.074 174.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -57.5 -36.51 71.6 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.455 175.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 86.0 mt -63.71 -46.73 84.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.889 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -76.84 -28.21 55.4 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.968 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CE1' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -65.09 -45.78 83.78 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.018 0.437 . . . . 0.0 109.975 178.496 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -78.7 -17.77 55.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -74.73 -30.6 61.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 0.0 109.952 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.661 HD11 HG23 ' A' ' 112' ' ' ILE . 76.8 mt -101.02 -51.18 3.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.161 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.705 ' HA ' ' HB2' ' A' ' 131' ' ' PRO . 38.6 mt -112.02 -3.38 14.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -171.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.97 31.35 76.08 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.824 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -130.13 148.14 51.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.669 0.388 . . . . 0.0 110.252 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.25 153.57 37.98 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.35 119.73 6.84 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.623 2.215 . . . . 0.0 111.788 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -74.96 -41.64 59.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.131 0.491 . . . . 0.0 110.399 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -126.97 -179.83 5.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.329 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 97' ' ' ILE . 40.7 tt0 -87.28 -18.54 29.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.551 -176.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.0 m -66.14 -36.85 84.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.222 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.67 -38.34 81.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.219 0.533 . . . . 0.0 110.117 173.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.511 HG11 HG23 ' A' ' 75' ' ' THR . 99.8 t -66.24 -51.08 63.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.203 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 93' ' ' GLU . 85.6 mt -54.77 -44.53 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.109 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.5 -42.03 86.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.969 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -74.26 -33.92 63.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.538 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 95.3 mt -59.62 -49.63 76.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.0 110.215 175.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.89 -37.5 84.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.639 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 111' ' ' ASP . 21.3 tp -62.08 -44.68 96.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.662 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.99 -44.74 96.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.002 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 45.2 mt-10 -59.14 -47.86 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 111.371 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -89.93 -51.65 5.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.18 -172.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -92.22 -35.95 13.53 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.61 174.63 18.91 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.011 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -78.04 -29.92 49.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.129 0.49 . . . . 0.0 109.916 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 7.5 p-10 -63.05 -38.2 90.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.203 177.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.87 -25.4 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.301 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.54 ' HA ' HD23 ' A' ' 102' ' ' LEU . 25.3 t70 -60.42 -47.6 85.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.712 176.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.661 HG23 HD11 ' A' ' 85' ' ' LEU . 43.9 mt -70.72 -35.23 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.704 174.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 7.4 t70 -66.1 -30.97 71.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.571 -174.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.2 p -55.01 -33.28 62.47 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.701 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.463 ' HD2' HD11 ' A' ' 86' ' ' LEU . 80.3 m-85 -68.2 -55.14 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.136 0.493 . . . . 0.0 110.046 178.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 56' ' ' ARG . 48.3 mm -63.4 -33.9 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.093 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.88 -5.95 50.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.211 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 27.5 t -95.52 104.68 16.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.877 0.37 . . . . 0.0 110.452 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 30.7 Cg_endo -63.63 -48.9 4.91 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.874 2.382 . . . . 0.0 112.812 -175.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.3 -54.6 30.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.508 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -69.27 -22.41 63.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.85 -173.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . 1.001 HG21 ' HD3' ' A' ' 52' ' ' ARG . 68.8 m -80.29 -40.29 27.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.209 172.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -66.43 -35.89 81.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.976 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.8 p -66.39 -29.57 69.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.562 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 131' ' ' PRO . 1.2 t80 -91.87 -38.76 12.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.928 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 146.23 118.46 1.13 Allowed Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.712 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.5 -29.29 30.58 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -111.4 16.06 21.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.233 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.928 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 60.8 t -119.03 139.94 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.781 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.436 ' CG2' HG13 ' A' ' 17' ' ' VAL . 61.3 t -84.46 115.85 62.36 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.451 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.705 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 6.7 Cg_exo -73.61 93.42 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.742 2.295 . . . . 0.0 111.971 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 2' ' ' PRO . 27.0 p90 -92.92 178.29 5.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.202 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -57.5 130.73 47.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.85 0.357 . . . . 0.0 110.427 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 134' ' ' ARG . 46.1 mtp180 . . . . . 0 C--N 1.326 -0.413 0 CA-C-O 120.997 0.427 . . . . 0.0 111.586 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.444 ' HD2' ' OE2' ' A' ' 4' ' ' GLU . 83.6 Cg_endo . . . . . 0 N--CA 1.462 -0.355 0 N-CA-C 110.529 -0.604 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 17' ' ' VAL . 21.1 t -67.35 98.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.041 177.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.444 ' OE2' ' HD2' ' A' ' 2' ' ' PRO . 12.3 pt-20 -135.63 137.29 41.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.844 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.5 tp -93.16 117.36 29.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -89.52 169.42 11.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.053 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.84 -54.76 42.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.433 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.02 76.69 6.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.975 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -82.83 168.36 17.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.428 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 22.3 p -128.4 177.42 6.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.095 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -61.8 -53.12 60.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -173.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -32.35 62.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.428 ' HB3' ' H ' ' A' ' 10' ' ' SER . 36.4 t70 -62.02 -50.72 70.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.972 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 45' ' ' ARG . 54.3 tp -61.37 -44.41 97.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.956 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.27 -35.22 80.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.638 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -64.3 -37.65 88.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.899 0.38 . . . . 0.0 110.291 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.501 HG13 ' CG2' ' A' ' 130' ' ' VAL . 63.3 t -61.24 -52.88 56.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.27 174.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.491 HD13 ' HG2' ' A' ' 41' ' ' GLU . 76.1 mt -60.05 -44.28 94.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.92 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -59.97 -35.9 75.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.166 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.24 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.185 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.43 -43.82 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.568 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.665 -179.796 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD21 ' CB ' ' A' ' 61' ' ' SER . 66.7 mt . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 p -57.69 -27.11 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.711 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.5 m -60.39 -48.56 81.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.187 175.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -67.5 -37.74 83.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' A' ' 18' ' ' ILE . 1.1 tm-20 -59.69 -45.02 93.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.965 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -65.6 -30.4 71.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.847 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.0 mt -66.72 -44.75 80.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.517 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -76.07 -34.38 59.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.567 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.55 ' HA ' HD21 ' A' ' 14' ' ' LEU . 39.1 ttp180 -66.28 -35.72 81.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.323 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -76.25 -31.89 58.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.949 174.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.98 30.81 16.38 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.437 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 19.6 ptpt -96.76 -5.09 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.135 0.493 . . . . 0.0 110.88 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 pt -131.7 165.54 31.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.9 p -95.47 172.38 8.11 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 55' ' ' VAL . 96.5 t -68.11 -30.83 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.693 ' HG3' HG21 ' A' ' 122' ' ' THR . 12.1 ttm180 -54.07 -51.37 64.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.143 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -66.69 -40.7 88.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.48 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.402 ' HZ ' HG23 ' A' ' 18' ' ' ILE . 83.6 t80 -58.64 -50.14 74.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.059 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 51' ' ' VAL . 63.8 t -60.57 -41.31 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.82 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.561 ' HB2' HG21 ' A' ' 116' ' ' ILE . 2.7 ttt180 -59.69 -49.72 76.64 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.216 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.84 82.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.015 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 54' ' ' PHE . 93.7 t -66.72 -49.63 72.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.255 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.87 -29.86 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -93.11 8.91 38.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.489 ' CB ' HD21 ' A' ' 37' ' ' LEU . 74.1 m -115.61 85.2 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -170.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 69.48 -64.2 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 156.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.1 mt -42.4 113.09 0.41 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -164.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 61.69 23.18 13.55 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.461 172.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 78.2 tttt . . . . . 0 CA--C 1.519 -0.218 0 O-C-N 123.733 0.645 . . . . 0.0 109.869 178.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.427 ' HD2' ' OG1' ' A' ' 75' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.12 -25.87 66.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.216 0.531 . . . . 0.0 110.483 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.427 ' OG1' ' HD2' ' A' ' 73' ' ' PHE . 21.5 p -62.72 -34.76 77.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.71 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -65.93 -32.88 74.63 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.96 0.409 . . . . 0.0 110.534 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.4 -43.4 97.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.632 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.449 HD12 HG13 ' A' ' 96' ' ' VAL . 59.8 mt -64.38 -35.5 74.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.217 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.25 -50.24 74.44 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.27 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.24 -45.7 90.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.497 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.448 ' OD1' HD12 ' A' ' 85' ' ' LEU . 54.5 t-20 -57.18 -59.83 4.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.414 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.485 ' HD1' ' O ' ' A' ' 88' ' ' ARG . 3.2 t80 -57.14 -48.18 79.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.184 -176.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 88' ' ' ARG . 36.9 ttmt -71.39 -30.83 66.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.071 -171.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -91.49 -29.21 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.672 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.486 HD11 HG23 ' A' ' 112' ' ' ILE . 39.5 mt -90.35 -28.4 18.74 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.825 -176.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.4 mt -110.96 -19.69 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.48 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.02 15.1 81.62 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 120.478 -0.867 . . . . 0.0 111.398 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 8.2 ttt180 -128.09 150.87 49.77 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -177.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . . . -101.45 148.74 35.63 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.749 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.79 117.91 3.06 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.834 2.356 . . . . 0.0 111.701 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -105.24 -34.49 7.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.958 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -127.39 151.31 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.13 -35.68 81.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.521 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.3 t -63.38 -30.25 71.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.778 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 46.3 mt-10 -61.74 -46.61 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.301 0.572 . . . . 0.0 109.546 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.449 HG13 HD12 ' A' ' 78' ' ' ILE . 58.7 t -65.15 -50.37 74.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.812 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.5 -44.14 92.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -61.24 -41.3 96.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.941 0.401 . . . . 0.0 110.972 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 69.1 m-70 -76.11 -28.98 57.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.519 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 91.9 mt -60.58 -40.38 91.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.247 0.546 . . . . 0.0 109.753 172.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.33 -48.84 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.424 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 111' ' ' ASP . 44.5 tp -59.35 -44.98 92.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.977 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -58.14 -55.75 30.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.152 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -76.16 -18.57 59.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -171.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -93.9 -45.46 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -105.09 -35.85 7.48 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.402 -176.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.44 164.42 9.94 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.077 -1.059 . . . . 0.0 113.109 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -58.05 -48.82 78.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -74.94 -24.59 58.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.319 -174.535 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.36 82.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.118 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.468 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 31.3 t70 -69.0 -54.11 16.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.067 175.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.486 HG23 HD11 ' A' ' 85' ' ' LEU . 78.2 mt -52.26 -32.87 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.52 0.676 . . . . 0.0 110.776 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 18.0 t70 -63.26 -38.87 92.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.501 -177.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.2 p -63.22 -27.71 69.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.654 0.264 . . . . 0.0 111.699 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -68.5 -48.17 65.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.294 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.561 HG21 ' HB2' ' A' ' 56' ' ' ARG . 51.1 mm -74.61 -25.34 19.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.613 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -75.54 -19.48 59.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.502 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.9 p -61.81 108.1 1.43 Allowed Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 121.155 0.502 . . . . 0.0 111.197 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.74 -55.23 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.218 1.945 . . . . 0.0 112.685 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.3 -54.65 42.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.77 -176.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -65.38 -51.75 58.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.137 -175.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.693 HG21 ' HG3' ' A' ' 52' ' ' ARG . 88.4 m -61.45 -49.9 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -28.39 67.11 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.272 -174.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.9 t -84.69 -37.06 21.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.625 0.25 . . . . 0.0 110.945 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -75.13 -38.47 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.454 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.783 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 153.0 120.88 0.84 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -91.38 -26.48 18.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.625 0.726 . . . . 0.0 109.232 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -111.45 6.83 20.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.783 173.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.783 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 60.2 t -103.27 140.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.645 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.501 ' CG2' HG13 ' A' ' 17' ' ' VAL . 94.4 t -81.91 130.58 60.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.457 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.87 93.88 0.08 OUTLIER 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.916 2.411 . . . . 0.0 112.376 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -101.37 154.33 18.89 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.551 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.4 112.71 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.315 -178.589 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo . . . . . 0 N--CA 1.463 -0.322 0 CA-C-O 120.606 0.169 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.44 121.52 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -139.93 141.67 36.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 -173.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 9' ' ' TRP . 64.8 tp -98.84 113.7 25.94 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -123.08 -168.67 1.8 Allowed 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.523 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 9' ' ' TRP . . . -67.13 -6.8 19.13 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.59 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -85.25 33.48 0.55 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.57 ' CD1' HD11 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -49.37 112.07 0.58 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.345 -178.377 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.418 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 43.4 t -144.76 173.01 12.21 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.425 -176.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -57.13 -50.29 73.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.44 -50.59 70.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.988 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.6 t70 -56.07 -59.81 4.38 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.804 -176.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD21 ' HG3' ' A' ' 45' ' ' ARG . 40.5 tp -60.41 -49.31 78.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.831 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -63.07 -40.41 97.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.737 -174.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.1 m -59.23 -40.42 85.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.952 0.406 . . . . 0.0 110.427 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 5' ' ' LEU . 96.4 t -64.97 -52.11 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.738 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.99 -44.62 98.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.048 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -65.64 -35.85 81.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.65 -29.44 70.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.118 0.485 . . . . 0.0 110.799 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 17' ' ' VAL . 87.1 t -73.44 -37.99 52.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.914 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.207 -179.865 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD12 HG22 ' A' ' 58' ' ' VAL . 91.0 mt . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 121.006 0.431 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.23 -25.89 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.19 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.1 p -64.23 -48.74 74.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.236 0.541 . . . . 0.0 110.083 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.69 -40.34 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.707 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.84 -33.8 76.87 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.506 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.1 m -62.44 -44.32 96.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 0.0 110.273 174.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HB3' HG23 ' A' ' 49' ' ' ILE . 95.9 mt -57.16 -33.25 67.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 tp -84.12 -49.02 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.982 0.42 . . . . 0.0 111.405 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' HG3' HD21 ' A' ' 14' ' ' LEU . 48.9 ttm-85 -70.65 -22.99 62.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.679 -173.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -94.62 -0.04 54.77 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.61 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.93 54.12 4.63 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 114.197 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -116.44 -48.72 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.199 0.499 . . . . 0.0 112.048 175.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 43' ' ' LEU . 49.1 pt -103.0 172.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.233 0.539 . . . . 0.0 112.221 -172.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.651 ' HB ' ' OD1' ' A' ' 127' ' ' ASP . 30.4 p -93.9 179.43 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.815 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.569 ' HB ' ' HA ' ' A' ' 128' ' ' TRP . 80.2 t -77.55 -38.75 26.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.864 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HD3' HG21 ' A' ' 122' ' ' THR . 15.3 ptt180 -62.72 -30.91 71.77 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.151 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.24 -41.96 80.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.241 0.543 . . . . 0.0 109.792 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -61.92 -40.33 95.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.749 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.7 -44.27 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.506 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.619 ' HD2' ' OD1' ' A' ' 113' ' ' ASP . 16.1 ttp180 -58.28 -42.8 87.34 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.356 0.41 . . . . 0.0 111.131 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.52 -50.63 73.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.954 0.407 . . . . 0.0 110.813 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.447 HG22 HD12 ' A' ' 37' ' ' LEU . 12.1 t -73.96 -17.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.931 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.59 -11.05 49.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.185 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -114.57 10.7 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.16 0.505 . . . . 0.0 110.812 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.8 p -160.26 171.66 18.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.35 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 64' ' ' TYR . 35.3 mm-40 65.24 176.74 0.2 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.585 0.553 . . . . 0.0 111.316 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 63' ' ' LEU . 5.0 tt 72.18 -19.43 0.28 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.493 0.717 . . . . 0.0 111.036 177.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.484 ' H ' ' C ' ' A' ' 62' ' ' GLU . 37.8 m-85 81.34 -177.15 0.06 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.349 1.06 . . . . 0.0 111.693 174.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HA ' ' HD2' ' A' ' 65' ' ' LYS . 12.2 mmmm . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 123.547 0.739 . . . . 0.0 111.662 -176.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 77' ' ' VAL . 82.9 m-85 . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.561 0.22 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -65.67 -25.91 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.126 0.489 . . . . 0.0 110.849 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -60.41 -44.18 95.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.065 176.617 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -73.11 -21.21 60.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 73' ' ' PHE . 33.0 t -67.05 -29.82 47.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.451 HG21 ' HA ' ' A' ' 96' ' ' VAL . 51.1 mm -66.24 -54.04 30.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.831 175.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.71 -41.08 63.61 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.274 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.48 -59.43 4.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.129 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.894 ' HA ' ' HB3' ' A' ' 84' ' ' HIS . 56.6 m-80 -81.17 -20.91 40.23 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CZ ' ' HA ' ' A' ' 90' ' ' PRO . 1.9 t80 -63.88 -41.61 97.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . 36.3 ttmt -83.11 -14.77 52.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.225 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.894 ' HB3' ' HA ' ' A' ' 81' ' ' ASN . 11.5 t-160 -84.36 -44.09 14.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.819 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.9 mt -104.28 -16.6 15.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 94.1 mt -117.81 -6.26 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 111.157 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.79 32.16 73.74 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.479 0.552 . . . . 0.0 114.479 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.772 HH21 ' HB2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -164.21 168.22 19.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.335 0.568 . . . . 0.0 111.184 177.793 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.91 156.96 82.2 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.27 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 32.2 Cg_exo -59.02 117.43 4.16 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.932 2.421 . . . . 0.0 111.939 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.772 ' HB2' HH21 ' A' ' 88' ' ' ARG . 15.1 t80 -86.53 -29.25 22.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.284 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.436 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 18.8 t70 -117.94 138.93 51.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.095 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -76.35 -29.16 57.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.172 -176.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 t -70.52 -27.51 64.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.436 ' HG2' ' HB3' ' A' ' 92' ' ' ASP . 33.3 mm-40 -56.25 -45.29 80.11 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.834 0.349 . . . . 0.0 110.065 172.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.451 ' HA ' HG21 ' A' ' 78' ' ' ILE . 49.0 t -59.26 -49.15 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.036 177.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.2 mt -58.77 -50.15 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.207 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -57.61 -45.35 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.474 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -73.88 -27.28 60.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.285 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 49.4 mt -68.26 -47.55 67.44 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 171.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.73 -44.88 93.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.793 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.0 tp -64.45 -49.13 72.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.542 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.44 ' HD1' ' HB2' ' A' ' 108' ' ' PHE . 24.4 t80 -56.74 -45.14 82.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.629 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.71 -52.61 56.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.749 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -80.23 -58.88 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -94.81 -9.68 33.74 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.791 -171.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.4 164.78 29.59 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.723 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.44 ' HB2' ' HD1' ' A' ' 103' ' ' TYR . 54.6 t80 -76.37 -28.68 56.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.019 0.438 . . . . 0.0 110.362 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -58.03 -44.78 87.53 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.968 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.32 -35.54 73.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.632 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.53 -45.41 91.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.155 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 40.3 mm -57.21 -43.76 82.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.619 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 78.3 m-20 -59.46 -32.4 70.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -62.08 -43.08 99.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.673 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -61.68 -48.08 82.41 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.257 0.551 . . . . 0.0 110.646 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.552 HG13 ' HB2' ' A' ' 56' ' ' ARG . 42.1 mm -71.64 -25.19 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.391 -174.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -79.62 -30.59 41.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.228 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 55.0 m -55.02 107.35 0.85 Allowed Pre-proline 0 CA--C 1.533 0.304 0 O-C-N 123.455 0.472 . . . . 0.0 112.067 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 30.8 Cg_endo -65.33 -43.25 11.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.058 2.506 . . . . 0.0 113.024 -175.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -51.98 -56.28 15.22 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 111.15 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -75.15 -38.02 61.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.437 -173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.552 HG21 ' HD3' ' A' ' 52' ' ' ARG . 88.3 m -66.43 -42.37 87.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.836 0.35 . . . . 0.0 111.194 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.89 -29.25 60.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.653 0.263 . . . . 0.0 111.392 -176.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.6 p -78.94 -37.74 38.93 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.262 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -84.71 -39.75 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.044 -0.263 . . . . 0.0 110.958 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.4 126.03 3.43 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.192 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.651 ' OD1' ' HB ' ' A' ' 50' ' ' THR . 15.6 t0 -64.05 -45.04 90.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.556 0.693 . . . . 0.0 110.353 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.569 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 79.8 m95 -94.19 17.59 12.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.89 -171.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.43 134.73 42.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.802 0.335 . . . . 0.0 110.852 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 77.5 t -77.33 125.67 86.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.937 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -43.69 125.13 4.8 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 124.136 3.224 . . . . 0.0 114.843 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.495 ' HD1' ' O ' ' A' ' 133' ' ' TYR . 3.3 p90 -122.93 166.93 14.25 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 169.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.495 ' O ' ' HD1' ' A' ' 132' ' ' TYR . 41.7 t80 -67.12 137.02 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 . . . . . 0 N--CA 1.471 0.619 0 C-N-CA 123.84 0.856 . . . . 0.0 109.946 -172.01 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo . . . . . 0 C--O 1.233 0.255 0 CA-C-O 120.728 0.22 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.71 117.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.392 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -140.46 158.85 43.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 tp -93.95 103.03 15.14 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -92.02 165.19 13.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.622 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.84 51.58 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.963 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.1 t30 173.72 74.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -121.08 156.62 31.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.702 -174.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -122.61 -178.79 4.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.158 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.98 -38.87 80.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 111.008 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.06 -44.66 95.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.371 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -64.36 -45.34 88.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.293 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.644 ' O ' HG12 ' A' ' 18' ' ' ILE . 36.0 tp -63.87 -44.57 92.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.669 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.21 -36.97 76.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.074 0.464 . . . . 0.0 110.365 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.5 m -60.38 -39.9 88.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.095 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.8 t -68.25 -42.52 84.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.259 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 14' ' ' LEU . 40.5 mm -54.4 -59.03 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.228 0.537 . . . . 0.0 110.519 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -69.39 -23.05 63.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.977 -175.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.61 67.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.944 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.36 -40.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.534 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.044 -178.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 61' ' ' SER . 6.9 mp . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 121.05 0.452 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.45 -32.99 56.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.815 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.554 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 18.1 p -58.33 -57.57 12.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.401 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.35 98.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.459 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -59.49 -53.77 54.34 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.939 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 p -61.69 -38.77 89.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 111.324 -176.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 39' ' ' SER . 98.8 mt -63.98 -35.95 82.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.076 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.1 tp -82.92 -34.61 26.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.195 0.521 . . . . 0.0 110.437 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG3' ' CD2' ' A' ' 14' ' ' LEU . 34.9 ttt180 -68.58 -23.23 64.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.588 -175.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -98.57 -8.25 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.069 0.461 . . . . 0.0 110.043 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.17 33.74 28.28 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.915 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD3' HD22 ' A' ' 43' ' ' LEU . 58.1 tttp -87.61 -39.75 14.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.912 0.387 . . . . 0.0 110.471 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.7 pt -111.46 176.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.267 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -177.88 3.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.477 HG12 HG23 ' A' ' 55' ' ' VAL . 42.6 t -69.33 -26.83 32.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.76 -51.85 53.2 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.057 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -68.88 -41.02 78.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.653 0.263 . . . . 0.0 110.612 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.96 -47.74 85.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.236 -176.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.477 HG23 HG12 ' A' ' 51' ' ' VAL . 88.1 t -60.89 -47.16 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.481 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HG3' HG13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.52 -42.52 92.42 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.101 0.477 . . . . 0.0 110.345 178.714 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -55.17 33.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.081 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.41 -36.63 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.07 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.72 71.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.587 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 49.3 mttp -94.47 -26.95 16.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.433 177.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.463 ' HA ' HD11 ' A' ' 37' ' ' LEU . 34.2 m 51.36 -112.03 0.6 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -164.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -173.46 104.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.149 0.5 . . . . 0.0 110.247 168.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 63' ' ' LEU . 24.8 tp 57.41 25.4 11.29 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.29 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.18 32.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.651 0.738 . . . . 0.0 109.866 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.0 pttt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.531 -175.279 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--O 1.233 0.221 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 78' ' ' ILE . 84.7 mm-40 -57.58 -37.42 73.13 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.333 0.396 . . . . 0.0 111.935 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 p -62.18 -39.39 92.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.971 0.415 . . . . 0.0 110.84 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -37.17 86.3 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.576 177.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.435 ' HA ' HD12 ' A' ' 80' ' ' LEU . 54.0 t -68.19 -38.67 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.536 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 74' ' ' GLN . 76.3 mt -60.08 -39.44 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.278 0.561 . . . . 0.0 110.274 176.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -63.02 -40.09 96.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.305 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 77' ' ' VAL . 92.6 mt -66.52 -59.27 3.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.865 -178.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.462 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 31.3 p30 -64.32 -38.38 90.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -171.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -80.82 -24.85 38.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.459 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 34.0 ttmt -75.23 -15.11 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 173.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -95.02 -25.28 16.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.928 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.531 HD11 HG23 ' A' ' 112' ' ' ILE . 95.1 mt -94.82 -50.75 5.0 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.914 0.388 . . . . 0.0 111.796 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.1 mt -97.83 -18.09 18.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.16 0.505 . . . . 0.0 110.072 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 83' ' ' LYS . . . 80.37 22.25 63.04 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.371 -175.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' N ' ' HA ' ' A' ' 83' ' ' LYS . 42.4 ttm180 -152.68 145.75 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.554 0.216 . . . . 0.0 110.48 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.43 160.18 81.84 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.476 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.02 149.64 11.32 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.148 2.565 . . . . 0.0 112.374 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -107.03 -39.52 5.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.763 -171.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 96' ' ' VAL . 28.8 t70 -127.55 143.8 51.14 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.875 -174.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.545 ' O ' HG12 ' A' ' 97' ' ' ILE . 40.6 tt0 -63.01 -37.0 85.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.627 -176.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 m -65.91 -38.87 89.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.759 0.314 . . . . 0.0 110.974 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 1.6 pp20? -75.43 -29.36 59.68 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.278 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.596 ' HA ' ' HD2' ' A' ' 99' ' ' HIS . 89.6 t -60.13 -44.6 95.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.937 0.399 . . . . 0.0 109.994 172.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 93' ' ' GLU . 51.6 mm -59.23 -36.99 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.344 177.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' A' ' 95' ' ' GLU . 84.6 t80 -58.96 -41.35 87.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.909 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.596 ' HD2' ' HA ' ' A' ' 96' ' ' VAL . 82.8 m-70 -65.25 -42.64 93.08 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.229 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.98 -42.89 99.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.371 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.25 -46.78 85.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.036 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 111' ' ' ASP . 25.7 tp -66.11 -35.27 80.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.516 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.39 -39.95 95.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.807 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -83.4 -17.98 40.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.351 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -82.82 -58.21 2.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.655 0.264 . . . . 0.0 111.15 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -114.02 -37.06 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.418 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 128.93 -179.4 16.68 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.206 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -71.1 -21.54 62.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.152 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.587 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -58.71 -53.99 52.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.634 175.472 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.05 98.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.596 ' HA ' HD23 ' A' ' 102' ' ' LEU . 38.7 t70 -64.29 -34.31 77.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.956 0.407 . . . . 0.0 110.88 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.531 HG23 HD11 ' A' ' 85' ' ' LEU . 76.8 mt -75.69 -31.2 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.958 0.408 . . . . 0.0 110.642 174.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -69.94 -21.62 63.25 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.471 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.4 p -58.36 -34.76 71.02 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.055 0.455 . . . . 0.0 110.928 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -64.22 -30.46 71.51 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.937 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.508 HG13 ' HG3' ' A' ' 56' ' ' ARG . 45.7 mm -92.2 -22.32 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.376 0.608 . . . . 0.0 110.078 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.501 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 22.7 t70 -75.24 -26.82 59.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.901 -177.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.5 m -84.63 97.41 0.49 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.281 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 17.9 Cg_endo -58.83 -48.45 14.58 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.901 2.401 . . . . 0.0 113.286 -167.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.62 -49.54 76.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.104 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -65.85 -47.29 75.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.456 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.7 m -61.7 -55.2 32.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.438 . . . . 0.0 111.238 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.691 ' HA ' ' HB2' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -64.37 -28.12 69.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.255 -172.865 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.5 m -65.78 -52.2 52.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.524 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 20.7 p90 -128.86 -12.91 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.514 -0.874 . . . . 0.0 113.22 -172.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -122.93 29.28 5.41 Favored Glycine 0 C--O 1.229 -0.166 0 C-N-CA 119.797 -1.192 . . . . 0.0 113.63 -174.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.691 ' HB2' ' HA ' ' A' ' 123' ' ' ASN . 22.9 t70 -101.34 -50.23 3.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.998 0.428 . . . . 0.0 110.289 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -111.27 -18.22 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.026 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 125' ' ' PHE . 25.8 t -104.0 148.38 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.259 -175.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 97.1 t -85.8 122.16 73.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.374 177.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.49 ' HB3' ' HE2' ' A' ' 125' ' ' PHE . 17.4 Cg_exo -66.76 114.72 3.24 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.875 2.384 . . . . 0.0 112.227 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -109.11 160.4 16.1 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.424 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 42.9 p90 -61.71 127.45 31.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.782 0.801 . . . . 0.0 111.827 -174.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.322 179.185 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 0 N--CA 1.451 -1.009 0 N-CA-C 111.488 -0.236 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.53 99.22 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 128' ' ' TRP . 42.8 tt0 -139.24 138.74 37.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.603 -175.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.7 tp -84.2 124.47 31.21 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -79.08 150.57 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.32 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.83 -50.29 73.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.316 0.579 . . . . 0.0 109.58 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.32 81.14 4.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -87.49 156.15 19.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.43 0.633 . . . . 0.0 111.425 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.516 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 2.9 m -116.93 169.13 9.63 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.076 176.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.34 -47.45 75.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.369 . . . . 0.0 110.664 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.76 -34.24 77.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.516 ' HB3' ' H ' ' A' ' 10' ' ' SER . 38.9 t70 -66.45 -51.6 55.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.978 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.67 -42.15 87.82 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.39 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.59 -46.51 83.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.7 m -56.85 -43.64 81.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 21' ' ' VAL . 62.9 t -64.38 -58.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.241 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.14 -35.12 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.964 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -68.14 -38.16 81.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.639 0.257 . . . . 0.0 110.7 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.62 76.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.191 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 17' ' ' VAL . 86.3 t -65.66 -42.43 92.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.054 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.931 0.396 . . . . 0.0 111.262 -179.724 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 121.022 0.439 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.21 -28.25 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.104 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.653 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 4.4 p -63.65 -51.56 64.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.561 176.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.38 95.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.713 -176.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -26.93 65.29 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.989 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.8 m -76.74 -41.0 46.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.28 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 39' ' ' SER . 86.1 mt -62.11 -39.13 91.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.693 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.28 -41.86 93.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.223 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.49 -41.91 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -79.14 -3.48 45.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.24 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.4 27.04 73.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.332 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' HD22 ' A' ' 43' ' ' LEU . 23.6 ttmm -87.83 -29.95 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.166 0.507 . . . . 0.0 110.212 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.9 pt -124.12 158.36 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.532 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.625 ' HB ' ' OD2' ' A' ' 127' ' ' ASP . 15.0 p -91.19 179.19 5.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.646 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.596 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 81.1 t -72.69 -33.2 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.686 ' HG3' HD12 ' A' ' 116' ' ' ILE . 3.4 tpp180 -64.86 -35.65 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' A' ' 56' ' ' ARG . 5.2 mm-40 -66.24 -40.67 90.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.809 177.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.0 t80 -59.92 -44.32 94.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.054 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 51' ' ' VAL . 90.8 t -62.57 -43.08 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.625 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.628 ' HD3' HG13 ' A' ' 116' ' ' ILE . 10.0 ttp180 -60.45 -42.73 96.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.775 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.98 98.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.382 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 54' ' ' PHE . 83.8 t -68.99 -44.28 81.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.972 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HB1' HD13 ' A' ' 112' ' ' ILE . . . -67.12 -43.69 81.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -174.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.594 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . 18.2 ptpt -92.71 8.36 39.58 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.6 p -84.49 -81.03 0.19 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.97 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.91 101.4 3.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.5 0.667 . . . . 0.0 111.579 -177.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.9 mt -110.63 -29.54 7.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.435 172.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 60.93 -161.2 0.29 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.991 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 120.986 0.422 . . . . 0.0 110.587 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.638 0.256 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -59.55 -29.87 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.957 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 p -60.59 -37.83 82.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 14.3 ttm180 -83.84 -23.72 31.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.691 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.56 -45.45 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' A' ' 99' ' ' HIS . 58.4 mt -63.61 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.25 174.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.27 -43.5 78.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.674 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 96.2 mt -65.39 -43.01 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.666 ' HB3' ' HE2' ' A' ' 115' ' ' TYR . 97.4 m-20 -59.05 -54.62 45.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.882 0.372 . . . . 0.0 110.659 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.85 -42.73 85.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.365 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 88' ' ' ARG . 43.6 tttm -77.95 -32.24 51.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.941 -171.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.66 -34.1 12.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.8 mt -91.16 -34.47 15.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.64 0.257 . . . . 0.0 111.677 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.1 mt -108.73 -6.66 15.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.689 0.281 . . . . 0.0 110.94 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 133' ' ' TYR . . . 60.06 50.1 71.33 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.661 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 13.6 ptp180 -167.19 174.79 7.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.748 0.309 . . . . 0.0 110.762 -176.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.36 159.05 30.57 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.77 132.56 46.98 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.397 2.065 . . . . 0.0 111.554 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -68.56 -48.03 65.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.108 0.48 . . . . 0.0 110.816 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 95' ' ' GLU . 10.5 t70 -132.68 154.72 49.87 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' O ' HG12 ' A' ' 97' ' ' ILE . 28.8 tt0 -75.69 -25.27 56.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.821 0.343 . . . . 0.0 110.119 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.7 m -63.61 -31.14 72.22 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 13.1 mm-40 -58.2 -50.46 73.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.987 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.568 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 61.9 t -56.21 -44.28 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.384 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.488 ' HA ' HD12 ' A' ' 100' ' ' LEU . 48.2 mm -58.42 -46.51 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -62.52 -42.79 99.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.493 ' HB2' HD13 ' A' ' 78' ' ' ILE . 83.5 m-70 -66.62 -27.7 67.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.12 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 96.1 mt -61.25 -48.79 79.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.189 0.518 . . . . 0.0 109.646 173.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.56 -40.25 92.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.496 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.519 HD21 ' OG ' ' A' ' 114' ' ' SER . 40.7 tp -59.22 -43.97 92.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.5 -41.79 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.754 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -70.89 -35.82 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.412 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -80.33 -57.98 3.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -100.21 -36.52 9.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.883 0.373 . . . . 0.0 111.946 -169.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.29 175.21 14.72 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.307 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -73.99 -34.97 64.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.142 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.594 ' HB2' ' HB2' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -74.71 -26.17 59.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.053 0.454 . . . . 0.0 110.004 -177.296 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.3 -34.73 36.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.594 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -58.38 -42.06 86.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.364 0.602 . . . . 0.0 109.501 175.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.525 HD13 ' HB1' ' A' ' 59' ' ' ALA . 86.9 mt -66.37 -40.27 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.871 175.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.626 ' OD2' ' HD2' ' A' ' 56' ' ' ARG . 10.9 t70 -61.57 -32.35 72.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.284 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.519 ' OG ' HD21 ' A' ' 102' ' ' LEU . 12.1 m -61.31 -30.0 70.22 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.507 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.666 ' HE2' ' HB3' ' A' ' 81' ' ' ASN . 11.2 m-85 -69.12 -32.54 72.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 109.81 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.686 HD12 ' HG3' ' A' ' 52' ' ' ARG . 17.1 mm -82.56 -27.96 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.52 -176.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.438 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 28.3 t70 -74.87 -16.35 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.617 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -77.15 105.42 2.47 Favored Pre-proline 0 C--O 1.24 0.58 0 CA-C-O 121.345 0.593 . . . . 0.0 110.547 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 43.2 Cg_endo -69.01 -55.55 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.82 2.347 . . . . 0.0 113.546 -170.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.45 -40.01 92.93 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.976 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -62.52 -38.69 90.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.458 HG23 ' HE ' ' A' ' 52' ' ' ARG . 96.6 m -72.65 -41.84 65.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.865 0.365 . . . . 0.0 110.941 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.81 -52.64 23.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.056 -175.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.8 t -69.84 -17.32 63.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.597 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.808 ' HZ ' ' H ' ' A' ' 132' ' ' TYR . 47.4 t80 -89.49 -31.72 17.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.028 0.442 . . . . 0.0 110.586 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 100.48 109.18 3.1 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -175.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.625 ' OD2' ' HB ' ' A' ' 50' ' ' THR . 21.0 t70 -59.93 -37.38 79.34 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.483 ' HA ' HG21 ' A' ' 51' ' ' VAL . 48.2 m95 -79.03 -4.91 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.439 -171.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.02 123.28 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.888 0.375 . . . . 0.0 110.538 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.478 HG13 ' HD2' ' A' ' 131' ' ' PRO . 88.0 t -69.95 136.41 87.39 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.478 ' HD2' HG13 ' A' ' 130' ' ' VAL . 84.3 Cg_exo -20.3 95.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 1 C-N-CA 125.631 4.22 . . . . 0.0 114.794 -174.642 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.808 ' H ' ' HZ ' ' A' ' 125' ' ' PHE . 26.2 t80 -93.18 130.32 38.9 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.428 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.59 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 60.7 m-85 -78.7 98.89 6.39 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.419 0.628 . . . . 0.0 111.671 -176.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.62 173.308 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo . . . . . 0 C--O 1.233 0.265 0 CA-C-O 120.953 0.314 . . . . 0.0 112.185 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.534 HG12 HG22 ' A' ' 17' ' ' VAL . 38.7 t -81.2 123.53 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.667 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -100.05 158.38 15.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.116 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 tp -114.31 100.67 8.51 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HG2' ' H ' ' A' ' 6' ' ' ARG . 6.2 ptp85 -84.95 157.54 20.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.972 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.35 -33.28 75.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -104.34 87.46 2.74 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 172.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -103.54 164.29 11.76 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.366 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -102.38 155.11 18.46 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 170.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 32.8 tt0 -58.27 -45.07 88.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.539 0.209 . . . . 0.0 110.886 -175.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -59.94 -46.83 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.164 0.507 . . . . 0.0 110.599 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.92 -38.27 90.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.298 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.572 HD21 ' HA ' ' A' ' 45' ' ' ARG . 40.3 tp -60.93 -47.36 86.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.89 176.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 43.4 mt-10 -66.1 -28.17 68.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.444 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.7 m -62.25 -38.88 90.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.045 0.45 . . . . 0.0 109.817 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.534 HG22 HG12 ' A' ' 3' ' ' VAL . 58.9 t -65.64 -51.32 64.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.307 176.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.99 -46.79 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.074 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 58.9 ttp180 -68.66 -23.77 64.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.223 -177.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.41 66.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.252 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.03 -48.32 25.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 1.7 p90 . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.514 HD13 HG22 ' A' ' 58' ' ' VAL . 80.5 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.631 0.253 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.49 -40.14 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.295 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 50.4 m -68.22 -35.63 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.913 0.387 . . . . 0.0 110.403 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.67 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.219 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.1 -45.14 94.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.485 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m -59.87 -40.08 87.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.606 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 39' ' ' SER . 85.9 mt -63.23 -34.81 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.641 0.257 . . . . 0.0 110.957 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.2 tp -71.86 -38.83 70.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.049 0.452 . . . . 0.0 109.808 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.572 ' HA ' HD21 ' A' ' 14' ' ' LEU . 3.8 tmt_? -64.97 -34.55 78.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.979 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -78.09 -4.41 47.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.601 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.53 32.78 79.63 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 121.266 -0.492 . . . . 0.0 112.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HD2' HD22 ' A' ' 43' ' ' LEU . 24.0 ttmm -93.11 -44.17 8.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.61 0.243 . . . . 0.0 111.019 -176.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.7 pt -98.19 176.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.728 0.299 . . . . 0.0 111.295 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.1 p -98.72 171.93 7.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.315 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.93 -41.32 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.477 ' HE ' HG21 ' A' ' 122' ' ' THR . 1.0 OUTLIER -54.76 -44.27 73.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.525 175.466 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.8 -44.68 95.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.779 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.551 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 61.2 t80 -61.57 -45.42 94.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.357 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.39 -42.29 87.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.524 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.505 ' HG3' HD13 ' A' ' 116' ' ' ILE . 35.4 ttp85 -56.08 -50.93 69.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.886 0.374 . . . . 0.0 110.872 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.31 92.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.357 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 37' ' ' LEU . 42.1 t -73.03 -37.71 54.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.231 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.46 -23.17 64.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.471 ' HA ' HD13 ' A' ' 112' ' ' ILE . 77.4 mttt -93.53 15.6 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.5 p -96.1 149.15 21.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.31 82.13 6.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.133 0.492 . . . . 0.0 110.9 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 64' ' ' TYR . 38.2 tp -82.67 111.42 18.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.815 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 82.4 m-85 72.39 -60.9 0.51 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.883 0.739 . . . . 0.0 110.953 -176.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 25.8 tptt . . . . . 0 C--N 1.321 -0.672 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--O 1.232 0.182 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.449 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 7.0 tp60 -65.8 -25.6 67.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.017 -176.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.417 ' HA ' HD12 ' A' ' 78' ' ' ILE . 37.1 p -57.89 -29.51 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 27.4 ttm180 -66.99 -37.54 84.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.626 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.57 -32.5 58.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.415 0.626 . . . . 0.0 109.705 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 64.2 mt -66.66 -42.52 89.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.243 175.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 75' ' ' THR . 47.3 mt-10 -62.16 -37.57 85.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.593 177.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.9 mt -62.39 -38.67 90.54 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.419 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 8.4 m-80 -55.67 -57.09 13.41 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.385 0.612 . . . . 0.0 110.529 174.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.531 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 8.0 m-85 -65.1 -34.76 79.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.959 -173.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 133' ' ' TYR . 87.3 tttt -75.11 -51.06 14.39 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.63 -177.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -91.89 -24.26 19.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -169.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.8 mt -101.25 -47.1 4.83 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.475 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.9 -26.09 24.1 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.193 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.614 ' HA2' ' HA ' ' A' ' 133' ' ' TYR . . . 76.93 27.01 61.2 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.421 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 35.6 tpt85 -158.32 133.27 8.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.586 0.193 . . . . 0.0 110.653 -176.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.24 152.86 87.4 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.713 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.41 150.31 42.51 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.255 2.637 . . . . 0.0 113.315 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.472 ' OH ' ' HG2' ' A' ' 88' ' ' ARG . 95.7 m-85 -99.09 -59.9 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 -177.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -130.45 -165.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.15 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -87.23 -32.69 19.63 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -172.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.2 p -62.67 -34.35 76.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 111.558 -171.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . 9.3 pt-20 -66.31 -38.17 87.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.604 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.69 -48.71 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.833 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.79 -41.99 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.577 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -54.52 -50.88 66.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.34 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 41.5 m-70 -68.57 -30.43 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.219 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.51 -51.92 56.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.131 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.4 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.32 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.46 -41.79 99.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.744 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -70.56 -32.67 70.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.29 -45.51 69.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.707 0.289 . . . . 0.0 110.787 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -83.02 -57.74 3.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -174.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -102.44 -33.33 9.57 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.739 -173.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.09 -172.46 15.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.392 174.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.542 ' O ' HG13 ' A' ' 112' ' ' ILE . 50.1 p90 -70.07 -19.96 63.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.583 -0.309 . . . . 0.0 111.567 -175.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.07 -48.28 76.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.029 0.442 . . . . 0.0 110.041 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.0 64.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.309 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.8 -33.51 68.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.311 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 108' ' ' PHE . 62.9 mt -74.56 -42.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.473 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 116' ' ' ILE . 1.1 m-20 -63.44 -18.55 63.86 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.348 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -50.06 -39.38 41.93 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.02 0.438 . . . . 0.0 111.403 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -77.17 -30.46 54.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.362 0.601 . . . . 0.0 110.714 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 113' ' ' ASP . 14.6 mt -83.87 -15.95 11.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.017 -172.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -93.95 -3.39 51.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.01 0.434 . . . . 0.0 111.084 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -107.95 89.99 6.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.863 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.17 -46.43 8.01 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.816 2.344 . . . . 0.0 112.536 -175.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -58.21 -47.56 83.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.55 -44.35 96.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.477 HG21 ' HE ' ' A' ' 52' ' ' ARG . 24.7 m -64.13 -43.83 94.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.637 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.445 ' HA ' ' OD1' ' A' ' 127' ' ' ASP . 2.6 t-20 -64.16 -38.73 92.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -176.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.0 m -75.39 -40.43 57.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 111.022 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -74.99 -38.56 61.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.477 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.553 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 144.7 78.41 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.496 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 123' ' ' ASN . 5.1 p-10 -68.87 -17.27 63.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.401 ' HD1' ' OD2' ' A' ' 127' ' ' ASP . 68.5 m95 -127.23 27.56 5.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.117 173.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.553 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 58.0 t -131.24 147.67 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.116 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 67.7 t -71.19 126.25 91.94 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 120.596 0.236 . . . . 0.0 110.575 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 130' ' ' VAL . 50.5 Cg_exo -55.25 126.93 24.2 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.34 2.694 . . . . 0.0 113.095 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -131.95 140.91 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.765 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.614 ' HA ' ' HA2' ' A' ' 87' ' ' GLY . 4.2 p90 -83.27 108.61 16.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.086 0.469 . . . . 0.0 112.017 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.1 ttp85 . . . . . 0 N--CA 1.465 0.306 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.92 176.123 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo . . . . . 0 C--O 1.234 0.29 0 CA-C-O 120.958 0.316 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 t -74.84 106.37 4.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.4 ' CD ' HH21 ' A' ' 6' ' ' ARG . 9.9 pt-20 -112.66 149.76 32.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.906 -175.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.6 tp -104.68 100.14 9.8 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 168.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.4 HH21 ' CD ' ' A' ' 4' ' ' GLU . 4.2 ptp180 -90.83 170.61 9.95 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.272 -174.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.56 78.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.955 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -108.55 76.08 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.13 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -93.47 165.2 12.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.977 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.3 m -123.41 167.91 13.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.13 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 15.2 mm-40 -58.51 -53.34 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.561 0.219 . . . . 0.0 111.124 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.56 -31.12 71.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.412 0.625 . . . . 0.0 110.751 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 17' ' ' VAL . 30.5 t70 -72.36 -38.55 68.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.517 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.3 tp -64.12 -41.63 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.262 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 18.0 mm-40 -55.35 -42.9 74.5 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.354 0.597 . . . . 0.0 109.718 173.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 m -63.18 -43.78 97.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.892 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 13' ' ' ASP . 86.2 t -62.63 -52.25 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.443 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 pt -64.83 -36.21 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.589 -175.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 69.3 mtp180 -76.13 -27.29 56.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.736 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.47 70.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.116 0.484 . . . . 0.0 110.051 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -75.45 -41.66 42.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.166 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.43 ' CD1' HG11 ' A' ' 58' ' ' VAL . 25.1 p90 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.24 0.543 . . . . 0.0 111.451 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD13 HG22 ' A' ' 58' ' ' VAL . 66.9 mt . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.791 0.329 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.69 -28.9 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.14 174.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 13.1 m -68.5 -34.64 76.24 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.988 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.9 -36.92 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.642 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.93 -49.07 79.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.65 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.3 p -66.26 -39.06 89.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.217 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 39' ' ' SER . 67.9 mt -61.17 -40.25 93.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.649 0.261 . . . . 0.0 111.085 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.9 tp -74.46 -45.1 48.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.007 0.432 . . . . 0.0 110.55 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 45' ' ' ARG . 36.2 ttt85 -63.44 -34.56 78.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.177 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.533 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 7.8 t-20 -80.81 -12.7 59.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 110.301 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.2 28.14 56.58 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.733 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 41.1 mtpt -89.11 -26.41 21.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.945 0.402 . . . . 0.0 110.365 -178.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 pp -129.89 165.61 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.3 p -96.23 173.83 7.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 55' ' ' VAL . 48.4 t -61.42 -28.81 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.072 0.463 . . . . 0.0 109.956 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.722 ' HG2' HG21 ' A' ' 122' ' ' THR . 1.9 tmm_? -57.19 -48.51 78.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.357 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.09 -39.76 86.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.64 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.68 -45.68 93.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.796 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 51' ' ' VAL . 84.0 t -61.15 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.556 ' HD2' HG21 ' A' ' 116' ' ' ILE . 20.5 ttt180 -60.31 -45.06 94.72 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.736 0.303 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.13 -55.0 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.899 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.475 HG22 HD13 ' A' ' 37' ' ' LEU . 35.0 t -69.81 -28.96 38.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.092 -177.436 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.94 75.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.116 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -101.98 13.92 33.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.11 0.481 . . . . 0.0 111.342 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.449 ' OG ' HD21 ' A' ' 37' ' ' LEU . 73.8 m -99.23 -47.42 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.192 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -121.67 -172.56 2.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.177 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mp 66.53 23.99 10.35 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.642 0.589 . . . . 0.0 111.063 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -90.07 -20.74 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.867 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 tptm . . . . . 0 C--N 1.331 -0.199 0 CA-C-O 120.419 0.152 . . . . 0.0 110.723 -179.92 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.216 0.531 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.411 ' O ' HG12 ' A' ' 78' ' ' ILE . 11.5 mm100 -66.47 -25.97 66.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.763 -177.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -61.3 -32.97 72.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.825 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.554 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 10.2 mmt180 -74.1 -27.65 60.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.342 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.417 ' HA ' HD12 ' A' ' 80' ' ' LEU . 48.2 t -69.4 -37.85 76.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 175.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 74' ' ' GLN . 43.2 mm -60.69 -44.09 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.707 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.9 -39.64 92.69 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.438 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 92.5 mt -59.81 -50.7 72.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.54 -44.6 90.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.535 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 2.3 m-85 -57.65 -48.61 79.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.041 0.448 . . . . 0.0 111.428 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . 34.0 ttmt -70.21 -34.5 72.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.108 -175.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -86.14 -33.77 20.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.7 mt -99.76 -39.05 8.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -173.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.4 mt -110.36 -12.5 14.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.62 -175.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 68.05 28.06 73.5 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.639 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.535 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 13.2 ptm180 -140.42 153.01 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.759 0.314 . . . . 0.0 110.435 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.83 155.82 38.82 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.682 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.73 121.29 7.77 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.914 2.409 . . . . 0.0 112.222 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -83.36 -42.84 16.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.879 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -133.23 157.82 44.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.423 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.0 -33.47 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.342 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -57.83 -40.55 80.28 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.762 -177.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.463 ' HB3' ' OH ' ' A' ' 82' ' ' TYR . 32.1 mt-10 -60.07 -42.51 94.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.209 0.528 . . . . 0.0 110.5 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.5 t -68.75 -52.7 32.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.695 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.14 -40.54 83.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.457 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.47 -54.51 46.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.837 0.351 . . . . 0.0 111.107 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -67.36 -35.1 78.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.905 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.87 -52.46 65.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.037 0.446 . . . . 0.0 110.429 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.1 -43.42 95.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.748 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.5 -50.33 71.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.023 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.18 -49.72 73.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.444 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.75 -34.1 76.16 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -83.36 -58.2 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.993 -177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -91.95 -36.27 13.53 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.517 -0.473 . . . . 0.0 112.16 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.37 176.9 14.6 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 119.955 -1.117 . . . . 0.0 113.598 174.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -64.17 -38.95 92.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.149 -0.526 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.77 -38.48 81.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.394 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.78 74.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.379 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.08 -50.25 72.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.376 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 43.2 mm -56.22 -41.22 69.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.78 -36.4 69.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.187 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.2 m -57.69 -37.47 73.51 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.456 ' HE1' ' CE1' ' A' ' 82' ' ' TYR . 50.6 m-85 -78.82 -26.75 44.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.192 0.52 . . . . 0.0 110.746 -175.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.556 HG21 ' HD2' ' A' ' 56' ' ' ARG . 37.1 mm -93.02 -20.28 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.552 -176.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -85.39 5.64 30.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.328 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 12.7 p -106.01 89.03 3.39 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 172.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 12.1 Cg_endo -56.23 -51.02 10.33 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.219 2.613 . . . . 0.0 113.692 -171.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.678 ' HA ' ' OD1' ' A' ' 123' ' ' ASN . 36.0 tt0 -70.12 -37.82 75.41 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.837 -173.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -62.15 -28.08 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.737 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.722 HG21 ' HG2' ' A' ' 52' ' ' ARG . 25.5 m -83.3 -56.08 3.97 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.147 177.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.856 ' HA ' ' HB3' ' A' ' 127' ' ' ASP . 1.8 p-10 -71.02 -26.28 63.04 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -170.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.4 t -85.95 -4.28 59.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.667 0.27 . . . . 0.0 111.153 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -116.36 -39.42 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -176.08 81.06 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.68 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.856 ' HB3' ' HA ' ' A' ' 123' ' ' ASN . 22.9 p-10 -80.92 -42.14 21.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.259 0.552 . . . . 0.0 110.218 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -115.1 16.44 17.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.794 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.7 t -122.63 136.96 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.842 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.14 128.2 92.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.3 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -44.73 113.35 0.46 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.844 3.029 . . . . 0.0 112.996 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.407 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 15.9 p90 -108.53 170.89 7.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.026 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.424 ' O ' ' HG2' ' A' ' 134' ' ' ARG . 4.1 t80 -83.07 114.98 21.67 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.831 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 133' ' ' TYR . 9.2 ptp85 . . . . . 0 N--CA 1.475 0.801 0 O-C-N 124.425 1.078 . . . . 0.0 112.054 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 N--CA 1.458 -0.582 0 CA-C-O 120.771 0.238 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.0 t -82.6 99.35 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 8.9 pt-20 -115.68 145.84 42.38 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 -173.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 tp -85.73 100.06 11.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 173.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -76.37 150.49 36.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.387 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.52 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.4 . . . . 0.0 111.228 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -102.71 87.3 2.94 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -112.82 163.66 14.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.271 0.557 . . . . 0.0 111.379 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 t -133.9 -179.29 5.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.346 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.32 -46.17 76.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.719 0.295 . . . . 0.0 111.544 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.41 -44.77 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.133 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.5 -48.81 78.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.312 0.577 . . . . 0.0 109.901 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.8 tp -62.8 -41.15 99.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.009 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.4 -41.59 98.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.997 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.6 m -59.84 -41.72 92.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.334 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.9 t -59.03 -45.95 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.335 175.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 14' ' ' LEU . 87.1 mt -59.61 -49.58 83.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.288 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -65.55 -31.85 73.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.969 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.44 -40.58 93.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.471 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.4 -47.46 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.199 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 p90 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.835 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD13 HG22 ' A' ' 58' ' ' VAL . 92.9 mt . . . . . 0 N--CA 1.461 0.076 0 CA-C-O 121.344 0.592 . . . . 0.0 110.049 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.26 -40.36 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.762 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 19.5 m -66.26 -49.46 67.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.664 0.269 . . . . 0.0 110.525 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.18 94.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.52 ' OE2' ' HD2' ' A' ' 45' ' ' ARG . 7.2 tm-20 -61.79 -48.84 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -62.81 -40.22 96.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 39' ' ' SER . 77.9 mt -62.91 -43.0 99.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.514 0.197 . . . . 0.0 111.461 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.7 tp -73.82 -37.59 64.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.003 0.43 . . . . 0.0 110.21 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.52 ' HD2' ' OE2' ' A' ' 41' ' ' GLU . 37.1 ttt180 -63.23 -36.07 82.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.353 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -81.03 -13.34 58.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.595 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.85 22.08 75.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.299 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -81.08 -30.5 34.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.793 0.33 . . . . 0.0 110.567 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.781 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 49.9 pt -118.41 167.54 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.722 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 p -93.04 178.11 5.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.956 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 67.8 t -67.74 -29.9 46.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.726 ' HG3' HG21 ' A' ' 122' ' ' THR . 34.1 ttp180 -56.3 -48.95 75.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.927 173.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.781 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 7.7 mm-40 -72.16 -26.29 62.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.074 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.1 t80 -67.33 -52.68 37.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 175.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.1 -40.29 76.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.978 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 22.1 ttt180 -47.9 -54.52 12.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.312 174.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.82 69.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.83 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 54' ' ' PHE . 90.5 t -66.75 -44.18 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.125 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.614 ' HB1' HD13 ' A' ' 112' ' ' ILE . . . -76.72 -40.12 49.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.616 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -83.28 17.12 2.18 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.783 0.325 . . . . 0.0 111.723 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.7 p -75.04 -167.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.066 0.46 . . . . 0.0 110.058 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -84.72 -7.18 59.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.353 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.7 mt 64.72 169.17 0.18 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.611 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -80.67 -35.34 33.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.946 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 N--CA 1.468 0.439 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.847 176.138 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 120.576 0.227 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -62.35 -26.07 68.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.038 0.447 . . . . 0.0 110.348 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 p -67.03 -25.05 66.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.039 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 3.3 tpt180 -73.39 -26.93 61.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.087 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.45 -38.78 82.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.275 0.56 . . . . 0.0 109.644 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.1 mt -65.13 -40.72 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.026 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.27 -37.35 80.2 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.194 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 98.1 mt -57.91 -52.92 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -64.38 -48.51 75.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 110.341 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -55.87 25.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.805 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HG3' ' HE1' ' A' ' 133' ' ' TYR . 87.3 tttt -71.82 -37.89 70.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.17 -172.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -88.68 -21.99 23.63 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -172.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.1 mt -99.77 -35.27 9.85 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.542 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -95.99 -7.03 37.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.917 0.389 . . . . 0.0 110.716 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.96 18.17 74.22 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.58 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -154.64 141.22 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.49 156.5 90.21 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.06 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.29 129.38 34.3 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.096 2.531 . . . . 0.0 112.502 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -81.99 -46.31 14.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.949 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -128.58 168.4 15.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.802 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -83.09 -23.05 33.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -40.6 85.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 178.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.549 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 8.5 mm-40 -57.59 -49.48 76.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.409 172.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.81 -49.32 70.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.648 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.487 ' HA ' HD12 ' A' ' 100' ' ' LEU . 73.6 mt -63.12 -40.71 90.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.21 -46.38 88.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.225 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.549 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 68.2 m-70 -70.62 -32.58 69.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.722 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 97' ' ' ILE . 30.3 mt -58.84 -53.58 56.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.019 0.437 . . . . 0.0 111.01 176.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.57 -38.29 90.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.473 -177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 111' ' ' ASP . 50.9 tp -61.99 -44.28 97.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.04 175.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.58 -44.23 94.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.21 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.65 -35.75 81.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.51 -41.91 6.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -172.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -102.77 -36.12 8.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.804 0.335 . . . . 0.0 111.312 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.53 174.4 17.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.691 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -70.99 -24.2 62.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.302 . . . . 0.0 110.308 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 15.0 t70 -60.11 -40.29 89.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.85 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.68 -31.97 41.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.965 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.435 ' HA ' HD23 ' A' ' 102' ' ' LEU . 30.2 t70 -59.63 -52.27 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.315 0.579 . . . . 0.0 109.901 176.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.614 HD13 ' HB1' ' A' ' 59' ' ' ALA . 74.0 mt -68.99 -28.4 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.408 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 23.6 t70 -62.77 -25.72 68.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.957 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.2 m -56.81 -29.62 62.92 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.017 0.437 . . . . 0.0 110.933 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -78.72 -51.75 9.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.343 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.38 -33.14 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.087 0.47 . . . . 0.0 110.966 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -75.59 -5.93 47.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.72 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.1 m -114.18 80.04 5.42 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.96 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.96 -29.86 40.26 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.66 2.24 . . . . 0.0 112.579 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.3 -57.96 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.245 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -68.72 -25.9 64.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.726 HG21 ' HG3' ' A' ' 52' ' ' ARG . 84.9 m -69.0 -54.03 17.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.208 176.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 1.009 ' HA ' ' HB2' ' A' ' 127' ' ' ASP . 26.7 p30 -66.11 -21.2 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.075 -176.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.1 m -81.84 -24.59 35.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.199 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -121.1 -40.07 2.64 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -173.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.82 68.41 0.3 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.489 -0.863 . . . . 0.0 113.172 -175.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 1.009 ' HB2' ' HA ' ' A' ' 123' ' ' ASN . 36.7 t70 -103.64 -42.78 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 174.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -117.88 3.92 12.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.606 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 40.9 t -120.38 143.74 31.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.597 -177.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.6 t -81.96 126.96 73.79 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -46.55 103.4 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.222 2.615 . . . . 0.0 112.998 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -97.91 162.52 13.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.184 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.442 ' HE1' ' HG3' ' A' ' 83' ' ' LYS . 9.8 t80 -79.2 116.63 19.59 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.044 0.449 . . . . 0.0 110.699 -175.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.254 177.07 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo . . . . . 0 N--CA 1.451 -0.996 0 N-CA-C 111.385 -0.275 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -88.23 99.52 9.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -124.01 158.21 32.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.977 0.418 . . . . 0.0 111.082 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' A' ' 17' ' ' VAL . 29.5 tp -127.67 95.74 4.32 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 171.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.445 ' C ' ' H ' ' A' ' 8' ' ' ASN . 38.2 mtp180 -142.69 98.96 3.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.907 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 9' ' ' TRP . . . 68.02 -33.71 0.23 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 124.013 0.821 . . . . 0.0 112.966 177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.445 ' H ' ' C ' ' A' ' 6' ' ' ARG . 6.6 t-20 -79.18 25.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.322 0.582 . . . . 0.0 110.777 -176.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.567 ' HZ2' ' HA ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -50.63 124.12 10.23 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.08 0.952 . . . . 0.0 112.738 -178.386 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.7 p -151.22 178.9 8.78 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -62.47 -47.28 84.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.225 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -64.77 -46.4 82.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.443 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.5 m-20 -59.76 -56.01 27.16 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.63 ' O ' HG12 ' A' ' 18' ' ' ILE . 42.0 tp -58.08 -50.55 73.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.204 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.65 -36.49 83.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.434 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.7 m -65.41 -39.8 92.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.801 0.334 . . . . 0.0 110.151 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' ' 5' ' ' LEU . 70.4 t -61.07 -46.56 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.51 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.63 HG12 ' O ' ' A' ' 14' ' ' LEU . 11.6 mm -56.7 -51.7 63.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.376 0.608 . . . . 0.0 109.764 176.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 19' ' ' ARG . 44.6 ttm105 -61.9 -34.99 77.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.072 -175.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.05 78.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.776 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 17' ' ' VAL . 48.4 t -73.23 -41.29 58.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.302 177.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 C--O 1.232 0.165 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.276 176.685 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 58' ' ' VAL . 77.6 mt . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.16 -39.5 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.8 m -62.19 -41.13 98.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.345 176.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.6 91.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.734 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.01 -45.21 91.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 110.288 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -61.72 -49.18 77.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.553 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 39' ' ' SER . 95.1 mt -62.55 -37.37 85.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.45 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.2 tp -71.81 -39.59 69.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.659 0.266 . . . . 0.0 110.524 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.567 ' HA ' ' HZ2' ' A' ' 9' ' ' TRP . 45.9 ttm105 -64.61 -35.08 79.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.189 0.518 . . . . 0.0 110.138 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -17.01 59.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.722 177.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.32 34.95 63.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.944 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -93.23 -31.46 14.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.891 0.377 . . . . 0.0 110.764 -178.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.7 pt -118.03 161.05 17.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.631 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -85.5 168.43 14.54 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.096 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.552 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 87.8 t -69.32 -31.8 51.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.45 -176.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.54 ' HG3' ' HG3' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -56.02 -36.5 68.02 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.923 0.392 . . . . 0.0 110.2 172.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.54 ' HG3' ' HG3' ' A' ' 52' ' ' ARG . 46.0 mt-10 -83.37 -27.3 29.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.71 -177.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . 87.5 t80 -64.44 -51.43 63.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 173.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.38 -32.33 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.032 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.596 ' HG3' HD13 ' A' ' 116' ' ' ILE . 40.5 ttt180 -55.8 -49.99 71.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.498 178.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.41 98.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.911 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.509 ' HA ' HD21 ' A' ' 37' ' ' LEU . 48.1 t -62.99 -39.26 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.851 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.51 -25.67 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.594 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -96.61 17.06 17.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.969 0.414 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 m -97.49 -167.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.876 173.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -105.37 -101.56 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.735 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.1 tp 65.72 -71.69 0.08 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.142 0.577 . . . . 0.0 111.425 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 51.5 m-85 -104.07 102.04 11.8 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 64' ' ' TYR . 64.2 mttp . . . . . 0 N--CA 1.466 0.369 0 O-C-N 123.475 0.484 . . . . 0.0 109.895 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.514 ' O ' HG13 ' A' ' 78' ' ' ILE . 52.4 tp60 -61.43 -26.16 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.593 -173.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 78' ' ' ILE . 18.8 p -53.96 -38.34 64.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -68.12 -37.18 80.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 111.011 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.7 t -75.64 -31.35 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.319 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 75' ' ' THR . 81.0 mt -55.9 -47.21 80.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.164 0.506 . . . . 0.0 109.892 173.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.604 ' HB3' ' NZ ' ' A' ' 83' ' ' LYS . 14.8 mt-10 -61.01 -44.36 97.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.041 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.6 -50.26 74.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.317 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -61.89 -44.68 96.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.643 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -58.49 -42.42 87.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.831 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.604 ' NZ ' ' HB3' ' A' ' 79' ' ' GLU . 61.6 mttp -71.88 -25.23 61.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -95.36 -20.12 19.39 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.839 -178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 112' ' ' ILE . 96.5 mt -100.75 -39.19 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.401 HD21 ' CE1' ' A' ' 115' ' ' TYR . 64.2 mt -122.03 -18.27 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.916 0.389 . . . . 0.0 111.161 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 77.87 14.61 82.17 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.117 -177.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 5.3 ptp180 -108.95 167.73 9.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.241 0.543 . . . . 0.0 111.035 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.73 153.67 42.87 Favored Pre-proline 0 C--N 1.317 -0.821 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 169.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.54 106.07 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.096 1.864 . . . . 0.0 111.894 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 88' ' ' ARG . 87.2 m-85 -82.47 -36.59 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.195 0.522 . . . . 0.0 109.996 -178.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -117.5 146.52 43.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.681 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.542 ' H ' ' CD ' ' A' ' 93' ' ' GLU . 1.0 OUTLIER -60.94 -27.86 68.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.403 177.124 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 m -55.67 -38.24 69.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.614 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.15 -42.07 89.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.138 0.494 . . . . 0.0 110.455 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.0 t -64.56 -52.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.406 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.44 -43.23 90.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.128 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -56.08 -46.86 78.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -72.34 -35.99 68.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.566 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.7 mt -58.89 -51.34 70.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 110.887 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -67.72 -38.79 84.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.726 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 111' ' ' ASP . 28.1 tp -57.69 -46.87 83.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.655 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.91 -50.61 68.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.89 -16.59 63.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -174.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -99.17 -57.8 2.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.07 -35.13 10.13 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.526 -175.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.2 174.81 13.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.395 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -69.94 -25.25 63.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.787 0.327 . . . . 0.0 110.53 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 13.8 t70 -60.3 -40.64 91.2 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.36 71.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.165 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.545 ' HA ' HD23 ' A' ' 102' ' ' LEU . 12.3 t70 -52.85 -46.2 67.71 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.333 0.587 . . . . 0.0 110.101 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.495 HG23 HD11 ' A' ' 85' ' ' LEU . 59.6 mt -77.45 -41.47 29.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.383 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 2.2 t70 -68.92 -21.58 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.858 -171.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.9 p -47.89 -61.75 1.8 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.627 ' HE1' ' HB3' ' A' ' 121' ' ' TYR . 24.9 t80 -65.91 -40.46 91.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 111.298 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.596 HD13 ' HG3' ' A' ' 56' ' ' ARG . 67.1 mt -56.89 -37.13 52.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.531 -174.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -90.65 -27.78 18.81 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.6 p -56.24 110.0 2.04 Favored Pre-proline 0 N--CA 1.468 0.45 0 CA-C-O 121.225 0.536 . . . . 0.0 111.269 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.65 -37.93 26.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.997 2.464 . . . . 0.0 113.029 -172.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 121' ' ' TYR . 7.4 pt-20 -60.9 -48.2 82.91 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.245 -0.182 . . . . 0.0 111.013 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.627 ' HB3' ' HE1' ' A' ' 115' ' ' TYR . 3.9 m-85 -71.3 -32.94 69.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.549 0.214 . . . . 0.0 110.742 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.8 m -56.46 -42.62 78.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.116 0.484 . . . . 0.0 110.733 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -81.8 -28.58 33.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.396 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 43.1 m -79.22 -51.26 9.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.369 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -79.44 -38.8 33.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.929 0.395 . . . . 0.0 110.089 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 114.65 109.0 2.76 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.268 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.552 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 9.9 t70 -54.05 -50.59 66.4 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.49 0.662 . . . . 0.0 110.264 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.479 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 62.5 m95 -87.49 27.74 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.196 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.37 136.62 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.1 t -86.08 124.84 69.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.807 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.71 144.33 65.33 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.762 2.308 . . . . 0.0 112.594 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.512 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 20.4 p90 -127.66 145.36 50.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.892 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.441 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 48.5 p90 -78.95 148.93 32.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.747 0.308 . . . . 0.0 111.203 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 C--O 1.235 0.317 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.443 -178.67 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.401 ' HB3' ' CD2' ' A' ' 132' ' ' TYR . 2.6 Cg_exo . . . . . 0 N--CA 1.461 -0.431 0 CA-C-O 120.764 0.235 . . . . 0.0 111.711 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.8 t -93.91 127.02 46.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -139.03 153.04 48.05 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.8 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -98.21 120.31 38.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -80.19 154.46 27.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.54 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.21 135.53 39.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 58.9 80.54 0.18 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -169.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -98.29 178.89 4.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.935 -170.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -132.66 167.0 20.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.717 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 17.9 tp10 -53.75 -45.82 70.69 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.172 0.295 . . . . 0.0 111.343 -175.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.36 -48.75 76.19 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.249 0.547 . . . . 0.0 111.203 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.6 t70 -60.93 -49.33 77.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.306 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.552 ' O ' HG13 ' A' ' 18' ' ' ILE . 57.1 tp -67.78 -42.46 81.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.443 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -53.77 -44.83 70.37 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.212 0.53 . . . . 0.0 110.184 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -61.31 -42.46 98.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.676 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 21' ' ' VAL . 91.8 t -61.77 -46.28 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.0 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 14' ' ' LEU . 63.7 mt -59.13 -49.7 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.046 -178.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 79.3 mtp180 -63.12 -28.5 70.11 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.276 -177.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.29 -49.13 37.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 17' ' ' VAL . 48.0 t -61.48 -48.03 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.0 p90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.091 0.472 . . . . 0.0 111.335 178.721 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.55 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 95.7 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.87 -37.61 72.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.211 0.529 . . . . 0.0 109.974 175.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.668 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.0 m -58.76 -49.9 75.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.263 177.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . . . -63.96 -40.63 96.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -52.99 -51.97 59.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.231 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -65.31 -40.02 93.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.022 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.4 mt -61.23 -44.03 97.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.997 0.427 . . . . 0.0 110.689 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.5 tp -67.49 -42.71 82.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.693 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 45' ' ' ARG . 55.6 mtt-85 -68.06 -28.58 67.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.798 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -82.41 -11.9 58.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.256 0.551 . . . . 0.0 110.047 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.31 34.24 33.21 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.016 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -88.76 -43.58 11.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.679 0.276 . . . . 0.0 111.019 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 36.2 pt -116.74 156.32 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.131 -176.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.4 p -85.34 173.73 10.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.238 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 55' ' ' VAL . 75.2 t -64.79 -36.14 76.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.835 ' HD3' HG21 ' A' ' 122' ' ' THR . 12.2 ttp180 -53.86 -50.72 65.62 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.593 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.442 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 32.9 mt-10 -67.83 -41.88 82.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.75 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 58' ' ' VAL . 82.7 t80 -58.31 -46.5 86.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' HG2' ' A' ' 131' ' ' PRO . 93.3 t -66.57 -33.53 64.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.221 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 54.7 ttt180 -62.73 -39.04 92.85 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.225 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.23 77.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.683 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 54' ' ' PHE . 48.9 t -71.56 -39.01 69.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.473 177.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB2' HD21 ' A' ' 85' ' ' LEU . . . -62.73 -30.24 71.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.419 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 17.9 ptpt -105.79 15.84 26.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.348 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.2 p -76.76 -30.73 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 0.0 110.963 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' HG3' ' HD2' ' A' ' 64' ' ' TYR . 33.2 tt0 -84.66 99.41 10.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.298 0.57 . . . . 0.0 109.978 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 1.3 pp -92.29 16.16 12.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.835 -176.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.456 ' HD2' ' HG3' ' A' ' 62' ' ' GLU . 62.8 m-85 -91.58 76.85 5.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.863 0.363 . . . . 0.0 110.11 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 N--CA 1.464 0.252 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.248 -174.912 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 N--CA 1.466 0.347 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -78.0 -26.55 48.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.417 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 m -61.05 -33.42 73.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.886 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 33.6 ttt85 -71.53 -29.41 64.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.143 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.72 -37.29 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.845 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.53 -41.69 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.93 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.3 -40.07 85.02 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.401 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.2 mt -59.82 -54.15 49.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -65.24 -42.24 93.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.627 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 2.8 m-85 -59.36 -49.77 76.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -74.99 -15.21 60.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.48 -174.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -90.86 -43.76 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.685 0.279 . . . . 0.0 111.449 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.515 HD11 HG23 ' A' ' 112' ' ' ILE . 86.8 mt -96.99 -30.07 13.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -171.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD22 ' HE1' ' A' ' 121' ' ' TYR . 72.7 mt -113.69 -17.0 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.766 0.317 . . . . 0.0 110.703 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.17 20.0 74.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.276 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.627 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 7.7 tpt180 -126.37 142.66 51.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -81.13 159.13 68.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.406 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 8.7 Cg_endo -50.57 107.21 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.702 2.268 . . . . 0.0 111.887 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.92 -50.05 52.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.122 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -122.5 159.35 27.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.841 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.38 -22.02 63.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.603 0.24 . . . . 0.0 110.669 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.5 t -61.67 -37.72 85.12 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.14 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -59.99 -40.25 88.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.306 0.574 . . . . 0.0 110.066 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.98 -57.08 13.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.443 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.35 -44.41 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.164 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -58.68 -44.13 90.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.345 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -79.51 -30.61 41.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.47 -44.61 95.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 109.68 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.12 -50.5 73.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.612 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.58 -47.09 83.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.265 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.91 -47.98 83.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.578 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -70.36 -33.53 71.55 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -175.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -82.22 -57.95 3.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.589 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -95.04 -37.24 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -170.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.29 176.91 14.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.194 -1.003 . . . . 0.0 113.319 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -71.29 -39.05 71.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.712 -0.244 . . . . 0.0 111.306 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.29 -29.88 68.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 113' ' ' ASP . . . -74.22 -29.84 61.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.82 -56.11 17.89 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.515 HG23 HD11 ' A' ' 85' ' ' LEU . 75.4 mt -54.59 -34.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.508 176.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' A' ' 110' ' ' ALA . 26.5 t70 -57.81 -39.92 78.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.9 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.2 p -61.97 -24.63 67.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -86.17 -33.94 20.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.155 0.502 . . . . 0.0 110.42 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.522 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 49.5 mm -93.36 -36.29 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.06 -172.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 26.5 t70 -76.06 -19.07 58.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.745 -173.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 p -79.32 103.94 1.91 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-O 121.022 0.439 . . . . 0.0 111.143 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 38.4 Cg_endo -67.74 -40.39 9.92 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.455 2.104 . . . . 0.0 111.988 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.33 -39.13 93.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.209 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.444 ' HE1' HD22 ' A' ' 86' ' ' LEU . 6.6 t80 -75.94 -38.66 57.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.431 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.835 HG21 ' HD3' ' A' ' 52' ' ' ARG . 30.6 m -72.9 -45.78 56.33 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.198 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.23 -36.5 82.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.609 0.242 . . . . 0.0 111.285 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.7 p -71.53 -18.67 62.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.628 0.251 . . . . 0.0 111.176 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 73.0 t80 -94.26 -39.37 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.39 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.75 106.61 1.14 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.676 -0.569 . . . . 0.0 111.676 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.77 -32.89 74.68 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.899 0.38 . . . . 0.0 111.34 -176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.27 18.15 22.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.017 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.3 t -108.78 138.71 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.016 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 79.9 t -76.03 127.63 84.81 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.271 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.557 ' HG2' HG11 ' A' ' 55' ' ' VAL . 52.9 Cg_exo -53.8 107.17 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.019 2.479 . . . . 0.0 112.521 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.401 ' CD2' ' HB3' ' A' ' 2' ' ' PRO . 32.1 p90 -105.34 158.52 16.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.172 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -64.36 139.28 58.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.196 0.522 . . . . 0.0 110.53 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.187 -173.282 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 N--CA 1.464 -0.215 0 N-CA-C 111.48 -0.238 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 45.3 t -79.24 105.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -99.44 116.9 32.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.601 -176.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.513 HD13 HG21 ' A' ' 17' ' ' VAL . 50.6 tp -86.83 100.21 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.453 ' HG2' ' H ' ' A' ' 8' ' ' ASN . 57.7 ttp180 -76.92 139.0 40.06 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.25 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.16 -33.12 57.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.221 0.534 . . . . 0.0 110.988 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.453 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 27.2 t-20 -86.86 92.09 8.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 168.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -126.89 162.27 26.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.366 0.603 . . . . 0.0 111.511 -174.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.2 t -113.65 167.49 10.57 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.8 -20.18 65.58 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.048 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.88 -45.01 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.194 0.521 . . . . 0.0 109.807 172.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.438 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.9 m-20 -68.48 -42.22 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.738 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.29 -49.15 78.73 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.362 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.68 -38.54 85.29 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.884 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.1 m -60.1 -42.58 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.984 0.421 . . . . 0.0 110.677 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.513 HG21 HD13 ' A' ' 5' ' ' LEU . 77.2 t -64.13 -56.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.171 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.6 pt -65.3 -38.52 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -71.79 -24.68 61.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.79 -32.58 59.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.005 0.431 . . . . 0.0 110.377 176.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 17' ' ' VAL . 57.8 t -79.14 -56.11 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.595 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 C--O 1.234 0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.434 178.793 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.512 HD13 HG22 ' A' ' 58' ' ' VAL . 89.4 mt . . . . . 0 CA--C 1.522 -0.117 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 87.4 t -67.85 -28.32 41.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.244 0.545 . . . . 0.0 109.963 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 p -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.286 172.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.7 -50.69 70.14 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.163 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 38' ' ' VAL . 10.2 pt-20 -64.08 -30.68 71.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.225 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m -68.84 -42.49 77.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.222 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.17 -39.9 95.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.23 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.13 -41.79 98.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.274 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.8 ttm-85 -63.28 -30.57 71.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.004 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -85.29 -11.86 53.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.53 21.63 71.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.472 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -79.95 -38.2 32.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.63 153.99 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.14 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.7 p -84.4 165.35 18.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.708 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.458 ' HB ' ' HA ' ' A' ' 128' ' ' TRP . 57.9 t -60.93 -29.68 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.918 0.39 . . . . 0.0 110.181 177.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.602 ' HG2' HG23 ' A' ' 116' ' ' ILE . 17.1 ttp180 -53.63 -47.86 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.51 176.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.12 -42.95 88.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.369 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 58' ' ' VAL . 88.7 t80 -60.61 -51.75 68.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.402 -177.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.0 t -58.7 -42.66 85.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.886 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' HB2' HG21 ' A' ' 116' ' ' ILE . 42.1 ttp180 -59.97 -49.19 78.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.81 86.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.503 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.512 HG22 HD13 ' A' ' 37' ' ' LEU . 60.8 t -67.61 -42.99 87.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.911 0.386 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.35 96.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.76 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 20.0 ptmt -93.91 16.13 15.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.795 0.331 . . . . 0.0 111.258 -177.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.5 t -85.83 168.56 14.15 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 120.855 0.359 . . . . 0.0 110.34 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.87 79.36 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.533 . . . . 0.0 111.613 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.87 -47.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.237 0.542 . . . . 0.0 110.449 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -67.13 -19.24 65.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.972 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 tptt . . . . . 0 C--N 1.327 -0.396 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.63 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 121.474 0.654 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -66.16 -25.44 66.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.626 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 p -57.27 -39.81 76.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.874 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 40.4 ttm180 -56.73 -47.37 80.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.844 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.19 -46.69 95.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.567 HD12 HD23 ' A' ' 100' ' ' LEU . 50.1 mt -65.15 -39.29 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 31.5 mt-10 -64.66 -25.01 67.77 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.012 177.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 90.7 mt -79.92 -41.99 25.0 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 120.705 0.288 . . . . 0.0 110.614 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -56.1 -50.7 70.31 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.484 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 10.2 m-30 -73.42 -19.79 60.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.824 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.877 ' HD3' ' HB2' ' A' ' 88' ' ' ARG . 22.7 tptp -58.96 -32.58 69.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 171.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -89.08 -25.83 21.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.198 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 131' ' ' PRO . 95.0 mt -101.24 -53.47 3.01 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -171.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.5 mt -114.04 9.29 17.29 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.413 ' HA3' ' H ' ' A' ' 134' ' ' ARG . . . 81.87 41.12 9.88 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.21 -0.995 . . . . 0.0 111.774 -177.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.877 ' HB2' ' HD3' ' A' ' 83' ' ' LYS . 16.2 ttt180 79.53 -82.73 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.142 1.377 . . . . 0.0 112.385 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.414 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . . . -81.71 126.65 75.15 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.961 -165.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -61.63 177.79 0.84 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 123.125 2.55 . . . . 0.0 111.857 174.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -97.61 -51.05 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.218 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 96' ' ' VAL . 29.7 t70 -117.89 149.01 41.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.798 0.332 . . . . 0.0 111.011 -173.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.555 ' O ' HG12 ' A' ' 97' ' ' ILE . 30.6 tt0 -69.77 -41.51 75.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.426 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.6 t -66.1 -36.17 82.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.541 ' HB3' ' O ' ' A' ' 92' ' ' ASP . 1.5 tm-20 -56.36 -49.42 74.48 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.078 172.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.691 ' HA ' ' CE1' ' A' ' 99' ' ' HIS . 54.3 t -52.65 -51.85 31.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 176.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 93' ' ' GLU . 33.0 mm -57.14 -39.49 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.874 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -55.59 -52.76 62.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.218 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.691 ' CE1' ' HA ' ' A' ' 96' ' ' VAL . 8.0 p80 -82.43 -16.42 49.03 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.708 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 78' ' ' ILE . 19.2 mt -58.36 -48.98 78.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.927 0.394 . . . . 0.0 110.025 170.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.98 -46.24 85.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.062 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.521 ' HB3' ' HA ' ' A' ' 99' ' ' HIS . 59.0 tp -55.34 -47.07 76.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.358 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.402 ' HD1' ' HA ' ' A' ' 108' ' ' PHE . 10.6 t80 -60.53 -48.71 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.866 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.64 -37.98 59.23 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.972 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -83.47 -53.5 5.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -90.72 -36.41 14.33 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.401 -174.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.63 166.26 11.45 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.168 -1.015 . . . . 0.0 113.092 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.402 ' HA ' ' HD1' ' A' ' 103' ' ' TYR . 0.8 OUTLIER -61.74 -33.0 73.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 111.314 178.449 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -67.1 -36.18 81.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.398 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.46 76.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.704 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.492 ' OD1' ' HB2' ' A' ' 99' ' ' HIS . 14.9 t70 -58.73 -42.65 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.36 0.6 . . . . 0.0 110.095 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 85' ' ' LEU . 85.0 mt -71.83 -35.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.333 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.446 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 97.8 m-20 -68.53 -26.73 65.57 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.0 p -56.48 -59.12 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.714 0.292 . . . . 0.0 111.651 -174.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -61.94 -37.12 83.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.602 HG23 ' HG2' ' A' ' 52' ' ' ARG . 44.0 mm -73.89 -47.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.834 -174.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.65 -24.45 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.795 0.331 . . . . 0.0 111.141 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 m -79.71 115.32 52.81 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.498 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.78 -55.95 2.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.309 2.673 . . . . 0.0 113.484 -172.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.61 -32.0 73.46 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -65.1 -44.79 87.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.013 0.435 . . . . 0.0 110.244 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.495 HG21 ' HG3' ' A' ' 52' ' ' ARG . 87.1 m -70.07 -36.4 74.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.308 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.15 -34.31 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.865 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.3 p -70.95 -10.52 59.84 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -113.39 -38.72 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.797 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.99 128.82 3.0 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.93 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.77 -24.97 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.311 0.577 . . . . 0.0 110.812 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.458 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 80.8 m95 -122.25 19.14 10.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.15 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.53 132.42 61.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.796 -174.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 96.1 t -73.83 127.87 87.65 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.225 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.543 ' HB3' ' O ' ' A' ' 85' ' ' LEU . 93.0 Cg_exo -47.43 140.63 15.51 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.846 3.031 . . . . 0.0 113.894 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -110.2 174.6 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.918 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.475 ' HE2' ' HE2' ' A' ' 83' ' ' LYS . 5.0 t80 -83.95 141.03 31.54 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.413 ' H ' ' HA3' ' A' ' 87' ' ' GLY . 8.3 tpm_? . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 121.589 0.709 . . . . 0.0 111.055 -177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo . . . . . 0 N--CA 1.457 -0.651 0 CA-C-O 120.624 0.177 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -82.65 112.13 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.479 ' HB3' HG22 ' A' ' 129' ' ' VAL . 10.9 pt-20 -139.61 153.34 47.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.751 -178.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.538 ' HB2' HG11 ' A' ' 17' ' ' VAL . 62.2 tp -87.03 143.62 27.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.154 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -99.74 151.92 20.69 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.96 -39.17 87.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.87 81.2 4.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.628 170.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -99.21 155.79 17.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.423 0.63 . . . . 0.0 111.489 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.519 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 m -107.99 168.92 8.94 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.102 174.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.29 -55.72 31.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.788 0.327 . . . . 0.0 110.785 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.87 -37.63 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.499 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.519 ' HB3' ' H ' ' A' ' 10' ' ' SER . 32.8 t70 -62.03 -48.65 79.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.7 tp -59.24 -42.73 91.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.361 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.61 -37.18 82.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.274 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -62.87 -40.77 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.34 . . . . 0.0 110.621 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.538 HG11 ' HB2' ' A' ' 5' ' ' LEU . 59.0 t -67.5 -47.51 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.45 -44.92 93.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.682 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -61.4 -33.88 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.4 87.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.378 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.63 -56.01 11.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.132 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.464 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.158 0.504 . . . . 0.0 111.103 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.778 0.323 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 10.5 p -57.6 -31.95 40.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.244 0.545 . . . . 0.0 110.611 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.528 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 17.8 m -63.31 -38.07 89.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.589 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.56 56.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -67.42 -28.66 68.09 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.623 -178.554 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -70.09 -43.61 70.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.486 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 39' ' ' SER . 92.7 mt -62.81 -40.26 96.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.802 0.334 . . . . 0.0 110.567 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.59 -37.32 79.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -65.22 -26.63 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.018 -178.456 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -98.98 3.75 47.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.74 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.27 21.8 72.36 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.986 -0.552 . . . . 0.0 113.187 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -79.41 -39.69 31.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.983 0.392 . . . . 0.0 110.293 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 49.6 pt -108.69 149.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.285 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.3 p -86.67 172.09 10.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.477 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.85 -35.85 67.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.472 ' HG3' HG23 ' A' ' 116' ' ' ILE . 2.9 ttp180 -48.55 -49.96 34.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.807 172.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 24.6 mt-10 -80.99 -33.55 33.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.205 -175.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 75.4 t80 -62.58 -53.22 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.526 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.22 -40.23 85.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.995 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 38.1 ttt180 -55.58 -56.62 18.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.222 179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.97 27.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.575 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.2 -42.77 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.15 -29.17 61.67 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -173.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . 19.0 ptmt -107.37 7.34 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.166 -0.614 . . . . 0.0 112.11 -173.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 p -98.66 -92.18 0.26 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -103.01 26.22 8.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.386 -164.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.2 mt -78.32 96.78 5.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.095 0.474 . . . . 0.0 110.095 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -74.9 155.75 37.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.355 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.28 -178.724 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.03 0.443 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -62.66 -33.94 76.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.189 -175.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 p -56.23 -51.47 68.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 10.9 mmm180 -53.84 -44.29 70.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.187 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.09 -45.14 99.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.642 HG21 ' HB3' ' A' ' 99' ' ' HIS . 84.4 mt -64.71 -53.99 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.987 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -31.45 70.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.46 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 33.0 mt -59.43 -48.45 81.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.177 0.513 . . . . 0.0 110.5 174.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.83 -48.78 77.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.34 -39.57 87.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.502 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.08 -35.39 78.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.897 0.38 . . . . 0.0 110.763 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -84.39 -18.52 35.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.435 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.8 mt -100.87 -27.4 13.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.0 mt -100.81 -22.9 14.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.523 0.201 . . . . 0.0 111.333 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 67.94 27.07 73.75 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -173.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -154.08 -168.07 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.82 -174.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.17 158.07 75.26 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.16 140.95 60.1 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.762 2.308 . . . . 0.0 112.038 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -89.28 -37.52 14.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.438 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.621 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 30.9 t70 -125.67 158.57 34.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.162 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.61 -28.09 41.0 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.451 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.2 m -68.83 -24.73 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.575 0.226 . . . . 0.0 111.334 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 13.8 pt-20 -73.5 -27.48 61.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.81 -45.62 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.239 0.542 . . . . 0.0 109.696 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.33 -38.19 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.807 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.22 -40.07 96.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.714 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.642 ' HB3' HG21 ' A' ' 78' ' ' ILE . 60.3 m170 -57.92 -50.49 73.17 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.18 0.514 . . . . 0.0 109.93 176.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.3 mt -55.72 -46.3 77.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.699 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.25 -44.58 75.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.871 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 111' ' ' ASP . 56.9 tp -59.32 -42.21 90.89 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.485 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -57.0 -43.95 82.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.08 176.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.61 -33.34 64.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.558 -177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -79.1 -58.79 3.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 111.362 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -100.11 -36.55 9.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.937 -170.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 135.33 175.39 13.82 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.042 -1.075 . . . . 0.0 113.337 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -69.37 -42.13 75.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 110.623 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.598 ' HB2' ' HB2' ' A' ' 60' ' ' LYS . 4.1 p30 -69.45 -24.34 63.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.902 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.33 59.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.04 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.497 ' HA ' HD23 ' A' ' 102' ' ' LEU . 21.3 t70 -64.35 -51.57 62.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.837 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.0 mt -54.45 -31.74 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.166 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 14.1 t70 -72.63 -20.66 61.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.006 -173.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.4 p -52.48 -42.61 64.4 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -171.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.35 -43.28 96.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 111.471 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.472 HG23 ' HG3' ' A' ' 52' ' ' ARG . 50.9 mt -89.33 -11.63 10.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.709 0.766 . . . . 0.0 110.052 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.46 -30.59 59.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.222 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.2 m -90.81 105.81 13.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.391 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.68 -45.86 27.02 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.863 2.375 . . . . 0.0 112.927 -174.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.34 -41.8 90.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.37 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.89 -53.75 51.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.099 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 29.2 m -62.59 -47.7 82.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 110.982 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -63.9 -47.7 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.273 -175.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.4 m -77.66 -18.92 56.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -172.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -92.22 -39.28 11.63 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.152 177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.26 100.89 0.23 Allowed Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.889 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.83 -31.44 70.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.096 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -99.68 3.26 45.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.479 HG22 ' HB3' ' A' ' 4' ' ' GLU . 49.4 t -101.43 139.71 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.033 0.445 . . . . 0.0 111.812 -171.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.77 127.92 58.3 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.365 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.15 128.99 24.02 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.676 2.917 . . . . 0.0 114.013 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.503 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 18.4 p90 -130.28 166.91 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.045 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.73 124.94 26.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.382 0.61 . . . . 0.0 110.85 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.836 -178.096 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo . . . . . 0 N--CA 1.462 -0.37 0 N-CA-C 109.191 -1.119 . . . . 0.0 109.191 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.9 t -72.14 97.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.926 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.9 151.23 51.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.058 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.596 HD13 HG21 ' A' ' 17' ' ' VAL . 34.6 tp -106.14 116.81 32.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.383 . . . . 0.0 110.144 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -80.82 160.17 24.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.096 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.28 -54.9 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.755 0.312 . . . . 0.0 111.007 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -96.28 88.39 4.77 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 44.6 p-90 -98.36 159.08 15.18 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.291 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -103.46 176.12 5.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 44.8 mm-40 -59.64 -38.84 82.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.649 0.261 . . . . 0.0 110.651 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.46 -38.4 77.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.914 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 9' ' ' TRP . 5.8 m-20 -64.31 -54.01 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.846 176.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.5 ' O ' HG12 ' A' ' 18' ' ' ILE . 52.5 tp -56.3 -46.81 79.63 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.856 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 53.6 mm-40 -52.99 -57.2 11.14 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.36 177.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.6 m -57.56 -40.02 78.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.722 -176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.596 HG21 HD13 ' A' ' 5' ' ' LEU . 50.2 t -59.93 -62.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-O 120.91 0.386 . . . . 0.0 111.35 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 14' ' ' LEU . 16.6 pt -69.23 -27.39 34.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.317 -175.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 42.4 ttt85 -72.22 -31.12 65.56 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.315 0.384 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.18 -37.18 78.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.92 176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.28 -61.43 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.293 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.512 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 61' ' ' SER . 97.6 mt . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.8 p -65.87 -26.71 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 109.687 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.2 t -69.06 -40.26 78.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.09 175.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.57 86.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.904 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.23 -48.78 80.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.91 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 p -66.98 -40.73 87.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.577 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.87 -35.0 79.2 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.139 -0.224 . . . . 0.0 110.917 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.0 tp -71.02 -38.32 72.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.126 0.488 . . . . 0.0 109.921 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' O ' ' HZ2' ' A' ' 9' ' ' TRP . 41.5 ttp180 -61.94 -46.64 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.647 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -67.89 -29.37 68.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.13 0.49 . . . . 0.0 110.703 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.59 24.23 28.84 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.008 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -83.23 -28.6 29.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.088 0.47 . . . . 0.0 109.964 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.556 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 48.0 pt -121.73 153.47 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.609 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 59.6 p -92.93 -179.18 5.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.542 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 130' ' ' VAL . 61.5 t -65.14 -33.92 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.044 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HD2' HG21 ' A' ' 122' ' ' THR . 27.7 ttt180 -55.12 -48.23 73.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.353 174.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.556 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 6.2 mm-40 -72.0 -37.71 69.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.746 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.512 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 82.8 t80 -57.75 -54.32 48.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.272 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.78 -38.58 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.938 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.553 ' HD3' HG21 ' A' ' 116' ' ' ILE . 30.8 ttp85 -57.63 -46.19 84.47 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.76 -43.33 69.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.085 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.459 HG22 HD13 ' A' ' 37' ' ' LEU . 69.2 t -62.94 -50.63 78.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.99 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.55 -34.94 70.43 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 37.0 ttmt -90.55 12.45 18.7 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.887 0.375 . . . . 0.0 111.595 -177.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.552 ' HB3' HD21 ' A' ' 37' ' ' LEU . 81.2 p -74.48 -13.4 60.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.001 -0.437 . . . . 0.0 111.136 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 57.52 79.27 0.2 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.5 -176.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.77 156.21 20.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.377 173.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -52.9 131.99 36.51 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.127 -172.812 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -83.13 -26.09 31.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.682 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.42 HG22 HD11 ' A' ' 100' ' ' LEU . 22.0 p -60.16 -41.48 92.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.068 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -72.35 -22.83 61.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.731 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.31 -49.14 78.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.533 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 73.5 mt -61.91 -40.58 87.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.805 175.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.01 -39.2 81.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.02 -54.95 40.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.045 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -67.24 -42.91 83.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.361 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.533 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.2 t80 -56.31 -48.99 75.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.825 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.525 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 77.8 tttt -69.04 -32.39 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.21 -175.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -82.75 -36.37 25.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.078 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 97.7 mt -83.46 -53.91 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -176.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.7 mt -82.81 -11.16 58.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.163 -0.336 . . . . 0.0 111.155 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.718 ' CA ' ' HA ' ' A' ' 133' ' ' TYR . . . 70.59 15.12 72.97 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.254 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 44.4 mtm105 -127.86 138.53 52.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.581 -0.309 . . . . 0.0 110.331 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.525 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . . . -80.81 129.13 69.25 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 4.0 Cg_exo -40.86 108.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.554 2.836 . . . . 0.0 112.496 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -84.91 -34.03 22.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.064 -173.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -117.71 141.12 48.76 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.247 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -64.29 -23.4 67.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.587 0.232 . . . . 0.0 110.687 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 m -60.88 -35.3 76.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.529 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.28 -43.74 98.38 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.342 0.592 . . . . 0.0 109.744 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.7 t -70.46 -51.14 40.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.789 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 70.4 mt -59.74 -39.44 79.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.178 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.02 -51.26 68.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.616 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.459 ' HD1' ' CG ' ' A' ' 111' ' ' ASP . 36.9 m-70 -69.64 -37.65 76.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.311 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 75' ' ' THR . 82.7 mt -56.09 -49.19 74.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.977 0.418 . . . . 0.0 110.551 175.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.67 -48.32 81.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.293 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 111' ' ' ASP . 58.9 tp -62.86 -42.39 99.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.112 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -58.07 -41.65 83.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.01 0.433 . . . . 0.0 110.747 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.93 -33.85 72.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.16 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -76.6 -58.5 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.817 -176.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -105.9 -37.06 6.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.88 -171.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.46 -173.44 15.99 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.309 -0.948 . . . . 0.0 113.028 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.5 -45.58 86.66 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.718 0.407 . . . . 0.0 111.968 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -64.41 -32.34 73.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 111.161 -173.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.46 -33.08 42.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.231 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.515 ' HA ' HD23 ' A' ' 102' ' ' LEU . 18.6 t70 -63.59 -47.58 80.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.283 0.563 . . . . 0.0 109.575 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' A' ' 115' ' ' TYR . 32.1 mm -57.57 -37.84 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.635 173.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.82 -40.63 97.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.384 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.7 p -63.39 -29.63 70.89 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 110.931 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 24.5 t80 -62.88 -34.62 77.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.769 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.553 HG21 ' HD3' ' A' ' 56' ' ' ARG . 40.0 mm -92.79 -24.07 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.286 0.565 . . . . 0.0 110.574 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.44 -19.43 59.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.761 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.541 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 5.1 p -78.8 111.01 16.33 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 121.175 0.512 . . . . 0.0 110.915 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.19 -52.34 2.13 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.038 2.492 . . . . 0.0 113.541 -172.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.62 -34.71 78.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.781 -175.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 118' ' ' SER . 81.9 m-85 -68.0 -34.24 76.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.939 177.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.439 HG21 ' HD2' ' A' ' 52' ' ' ARG . 66.0 m -65.63 -44.19 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.098 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.58 -25.17 64.37 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.336 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 m -62.84 -19.31 63.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.387 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.402 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 99.0 m-85 -121.67 -40.31 2.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 103.3 -167.63 17.0 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.676 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.609 ' O ' ' HB ' ' A' ' 50' ' ' THR . 1.6 m-20 -103.38 -11.28 17.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -121.26 10.29 10.59 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.791 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 125' ' ' PHE . 94.0 t -114.22 135.22 54.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.52 ' O ' ' HD1' ' A' ' 132' ' ' TYR . 68.6 t -83.59 128.2 64.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.426 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.95 117.24 3.19 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.045 2.496 . . . . 0.0 111.851 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.52 ' HD1' ' O ' ' A' ' 130' ' ' VAL . 40.9 p90 -130.51 158.4 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.432 -174.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.718 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 40.9 p90 -69.31 148.4 49.78 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 . . . . . 0 N--CA 1.467 0.383 0 O-C-N 123.782 0.676 . . . . 0.0 111.792 -174.586 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 N--CA 1.456 -0.718 0 N-CA-C 111.63 -0.181 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.34 106.61 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.752 ' HB3' HG22 ' A' ' 129' ' ' VAL . 1.2 pm0 -111.15 155.25 23.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.291 0.567 . . . . 0.0 111.307 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.1 tp -91.54 127.83 37.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -85.36 153.15 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.024 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.36 92.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.632 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -97.79 85.17 3.49 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 172.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -104.36 164.82 11.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.312 -176.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.483 ' HB3' ' OD1' ' A' ' 13' ' ' ASP . 23.2 t -125.82 177.22 6.42 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.09 -41.14 91.05 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -173.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 8.8 pt-20 -72.58 -37.31 68.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -173.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' A' ' 10' ' ' SER . 0.9 OUTLIER -74.39 -34.08 63.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.456 176.759 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.71 -44.41 96.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.233 0.54 . . . . 0.0 109.604 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.98 -38.92 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.104 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -66.2 -42.44 88.82 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 21' ' ' VAL . 96.2 t -59.81 -52.36 61.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.41 177.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.9 -43.42 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.793 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 19' ' ' ARG . 37.2 ttm105 -62.12 -39.34 92.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.309 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.84 -29.49 69.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.248 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 17' ' ' VAL . 54.7 t -80.12 -35.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.344 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.33 -0.25 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -175.612 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.667 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 11.0 p -61.44 -27.49 42.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.136 -175.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.671 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.3 t -66.14 -45.58 80.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.952 0.406 . . . . 0.0 109.984 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.88 64.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.543 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.667 ' HG2' ' HA ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -62.49 -40.45 96.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.24 -177.281 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.523 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 19.1 p -69.65 -35.71 75.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 39' ' ' SER . 91.6 mt -61.88 -50.62 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 175.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.81 -37.08 83.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.044 0.449 . . . . 0.0 110.351 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.744 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.39 -0.75 57.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 111.362 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.3 26.08 60.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.562 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.17 -41.38 70.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 109.942 176.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.763 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 37.6 pt -125.0 171.0 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.378 -177.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.455 HG22 ' CZ2' ' A' ' 128' ' ' TRP . 68.4 p -104.37 -175.7 2.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.383 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' CE3' ' A' ' 128' ' ' TRP . 79.8 t -63.51 -33.14 59.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.595 0.235 . . . . 0.0 110.529 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 56' ' ' ARG . 74.1 mtt180 -51.49 -56.06 15.42 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.97 174.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.763 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 4.7 mm-40 -67.38 -30.17 69.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.251 -175.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.575 ' O ' HG23 ' A' ' 58' ' ' VAL . 52.5 t80 -65.6 -54.79 22.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.009 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.32 -34.08 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.107 0.48 . . . . 0.0 109.899 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.514 ' HG3' HG13 ' A' ' 116' ' ' ILE . 66.0 ttt180 -54.6 -47.63 73.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.624 177.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.62 74.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.448 -178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 54' ' ' PHE . 21.4 t -67.91 -18.66 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.146 0.498 . . . . 0.0 111.565 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.74 -48.88 8.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' A' ' 112' ' ' ILE . 18.2 ptmt -90.11 -20.83 22.68 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.929 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m 56.47 -171.15 0.08 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -94.57 169.6 10.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.148 174.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.2 tp 72.55 -13.87 0.61 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.75 0.42 . . . . 0.0 112.074 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 71.83 -62.59 0.45 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.461 0.704 . . . . 0.0 111.018 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.229 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.497 ' O ' HG12 ' A' ' 78' ' ' ILE . 57.5 tp60 -62.85 -33.91 76.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.921 -173.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -38.57 89.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.899 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.48 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 30.8 mtp180 -70.52 -33.48 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.947 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.504 ' HA ' HD12 ' A' ' 80' ' ' LEU . 59.1 t -62.61 -33.04 57.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.373 0.606 . . . . 0.0 109.739 176.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.577 HD12 ' CD2' ' A' ' 99' ' ' HIS . 34.6 mm -63.09 -50.67 78.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.664 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.96 -38.79 83.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.128 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 77' ' ' VAL . 95.3 mt -55.82 -48.17 75.89 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.979 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -65.84 -39.31 90.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.697 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' HD2' ' HD2' ' A' ' 88' ' ' ARG . 22.3 m-85 -63.27 -39.08 93.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.777 0.323 . . . . 0.0 111.373 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -80.45 -15.25 57.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.585 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -87.19 -41.11 13.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.827 178.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.544 HD11 HG23 ' A' ' 112' ' ' ILE . 18.7 mt -93.72 -53.94 3.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -173.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.9 mt -99.64 -1.87 36.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.702 0.287 . . . . 0.0 111.043 -172.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.544 ' HA3' ' HA ' ' A' ' 133' ' ' TYR . . . 58.56 33.7 73.03 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -174.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.512 ' HD2' ' HD2' ' A' ' 82' ' ' TYR . 18.3 mtt180 -87.68 149.48 24.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 112.094 -173.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.449 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . . . -110.61 114.66 54.63 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 161.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 6.0 Cg_exo -36.9 111.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.167 3.245 . . . . 0.0 113.422 -170.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -78.23 -47.64 17.54 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.451 -173.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 38.5 t70 -144.86 160.35 41.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.145 177.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.34 -21.28 65.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.666 -177.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.9 p -58.65 -42.39 88.26 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.652 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 8.9 pt-20 -64.88 -39.77 94.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.073 0.463 . . . . 0.0 109.848 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.422 HG13 HG21 ' A' ' 78' ' ' ILE . 74.8 t -62.67 -47.32 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.367 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.481 ' HA ' HD12 ' A' ' 100' ' ' LEU . 80.8 mt -59.99 -44.91 95.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.956 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -64.96 -32.85 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.988 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.577 ' CD2' HD12 ' A' ' 78' ' ' ILE . 8.4 t60 -76.24 -33.8 59.2 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 97' ' ' ILE . 86.8 mt -58.52 -44.01 89.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.958 0.409 . . . . 0.0 110.107 173.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.74 -45.36 94.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.104 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 111' ' ' ASP . 29.1 tp -61.23 -41.47 96.93 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.8 0.333 . . . . 0.0 110.305 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 108' ' ' PHE . 73.6 t80 -58.04 -44.86 87.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.909 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.77 -39.48 56.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.234 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -74.78 -52.82 10.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.108 -173.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -112.82 -36.67 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.014 -175.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.42 163.08 11.33 Favored Glycine 0 C--O 1.228 -0.232 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.696 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.555 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 45.6 p90 -64.97 -24.83 67.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.894 0.378 . . . . 0.0 111.399 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 6.3 p-10 -72.04 -32.05 66.74 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.17 -34.25 49.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.954 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.505 ' HA ' HD23 ' A' ' 102' ' ' LEU . 71.5 m-20 -47.67 -62.52 1.41 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.697 0.761 . . . . 0.0 109.885 171.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.544 HG23 HD11 ' A' ' 85' ' ' LEU . 96.8 mt -61.09 -38.97 80.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.572 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 2.9 t70 -71.98 -33.6 68.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.601 -173.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.4 p -59.49 -35.99 75.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.796 0.332 . . . . 0.0 111.725 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -73.39 -16.68 61.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.636 -174.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.514 HG13 ' HG3' ' A' ' 56' ' ' ARG . 48.6 mm -71.94 -26.4 25.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.268 0.556 . . . . 0.0 110.204 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -107.35 -11.33 15.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.211 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.3 p -55.52 132.68 71.04 Favored Pre-proline 0 C--O 1.238 0.466 0 CA-C-O 121.085 0.469 . . . . 0.0 111.433 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.09 -38.9 94.11 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.974 2.45 . . . . 0.0 112.484 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.17 -36.98 85.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.714 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.506 ' HE1' ' HG3' ' A' ' 131' ' ' PRO . 79.4 t80 -60.35 -55.7 30.4 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 177.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.0 m -63.25 -43.97 96.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.019 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -65.36 -47.08 77.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.089 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.4 m -84.54 -45.0 13.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.2 -40.07 8.96 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.387 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 107.21 -161.67 13.66 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.076 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -103.88 -51.13 3.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.719 0.295 . . . . 0.0 111.772 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.517 ' CE3' HG23 ' A' ' 51' ' ' VAL . 80.8 m95 -95.96 10.1 38.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.572 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.752 HG22 ' HB3' ' A' ' 4' ' ' GLU . 61.4 t -96.07 129.48 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.169 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 86.9 t -71.91 125.2 91.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.013 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.506 ' HG3' ' HE1' ' A' ' 121' ' ' TYR . 17.1 Cg_exo -65.22 102.37 0.45 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.681 2.254 . . . . 0.0 111.194 177.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -89.4 133.11 34.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.715 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.544 ' HA ' ' HA3' ' A' ' 87' ' ' GLY . 35.7 t80 -55.77 122.77 12.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 173.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.552 ' HG3' HH11 ' A' ' 134' ' ' ARG . 21.4 mmm-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.233 -172.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.458 -0.611 0 CA-C-O 120.686 0.203 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -84.69 119.11 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.462 ' HG3' HG22 ' A' ' 129' ' ' VAL . 35.5 tt0 -125.86 137.13 53.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.912 0.387 . . . . 0.0 110.712 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 128' ' ' TRP . 28.5 tp -108.56 99.04 8.47 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.432 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 16.3 ptt180 -105.01 166.68 10.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.47 -177.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.88 46.0 0.16 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.265 0.555 . . . . 0.0 112.333 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -153.75 26.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.432 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 69.2 p-90 -82.22 144.57 30.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.751 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 m -94.82 160.3 14.66 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 169.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -60.09 -35.91 76.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.036 0.38 . . . . 0.0 110.348 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.92 -40.51 84.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.454 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.5 m-20 -72.06 -30.61 65.31 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.683 ' HG ' ' HG2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -61.04 -43.69 98.5 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 174.09 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.01 -33.78 76.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.545 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.4 m -62.18 -44.0 97.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.497 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.526 HG21 HD13 ' A' ' 5' ' ' LEU . 90.4 t -62.03 -53.15 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.331 -178.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 pt -63.68 -39.3 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.438 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -20.0 61.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.477 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.48 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 175.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.96 -42.48 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.569 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.198 177.474 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD21 ' OG ' ' A' ' 61' ' ' SER . 80.9 mt . . . . . 0 N--CA 1.464 0.228 0 CA-C-O 121.319 0.581 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.23 -25.94 38.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.801 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 6.4 m -64.39 -42.9 95.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.162 176.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.74 64.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.3 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.38 -46.32 88.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.869 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -70.08 -43.78 70.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' SER . 82.7 mt -62.96 -28.66 70.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.538 0.209 . . . . 0.0 111.09 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.62 -46.75 65.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.137 177.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.683 ' HG2' ' HG ' ' A' ' 14' ' ' LEU . 63.6 mtt180 -65.31 -33.66 76.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 110.749 177.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.497 ' OD1' ' HE3' ' A' ' 48' ' ' LYS . 2.0 t-20 -82.51 -7.35 59.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.829 -177.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.07 32.98 77.72 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 113.156 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' HE3' ' OD1' ' A' ' 46' ' ' ASN . 93.7 mttt -96.96 -16.18 20.75 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.608 -0.348 . . . . 0.0 111.271 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 pp -131.81 155.35 41.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' ' HG2' ' A' ' 53' ' ' GLU . 76.4 p -89.14 172.72 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.2 t -65.02 -34.01 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.669 0.271 . . . . 0.0 110.825 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.721 ' HD2' ' CE2' ' A' ' 121' ' ' TYR . 61.9 mtm-85 -68.7 -32.01 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.313 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG2' ' OG1' ' A' ' 50' ' ' THR . 60.1 mm-40 -66.79 -37.8 85.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 110.042 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' VAL . 52.9 t80 -62.2 -45.34 93.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.564 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 51' ' ' VAL . 59.3 t -63.12 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.893 177.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.515 ' HB2' HG12 ' A' ' 116' ' ' ILE . 9.3 ttm180 -55.21 -46.81 75.93 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.213 0.53 . . . . 0.0 110.047 178.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.96 83.66 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.749 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' PHE . 63.8 t -59.74 -42.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.167 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB2' HD21 ' A' ' 85' ' ' LEU . . . -64.37 -28.77 69.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.771 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -101.8 16.11 26.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.49 . . . . 0.0 110.721 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.499 ' OG ' HD21 ' A' ' 37' ' ' LEU . 63.1 m -109.13 -164.68 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.188 -0.32 . . . . 0.0 111.856 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 67.53 -173.69 0.19 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.524 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.24 126.55 30.33 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 61.2 m-85 -63.35 146.19 54.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' TYR . 97.5 mttt . . . . . 0 C--O 1.235 0.291 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -170.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.285 0.564 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -83.94 -24.28 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.622 -173.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 p -43.88 -60.5 1.8 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -173.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.531 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 44.4 mtm105 -60.59 -35.43 76.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.496 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.07 -43.86 95.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.511 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 74.9 mt -62.85 -37.83 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.34 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.08 -30.65 71.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.7 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 91.1 mt -73.09 -54.0 9.63 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -52.59 -49.57 64.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.941 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.416 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.8 t80 -62.58 -44.85 95.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.924 -177.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -72.79 -19.1 61.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.225 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -94.74 -53.71 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.76 0.314 . . . . 0.0 111.281 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 59' ' ' ALA . 73.7 mt -77.68 -37.39 49.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.175 -170.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.681 ' HG ' ' HD2' ' A' ' 115' ' ' TYR . 84.5 mt -102.52 -10.69 19.12 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.099 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.44 21.55 64.67 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.004 -0.544 . . . . 0.0 113.354 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -132.64 162.84 30.31 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.435 -0.45 . . . . 0.0 110.486 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . . . -101.5 153.52 37.81 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.422 -173.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 89' ' ' ALA . 14.2 Cg_exo -68.56 95.75 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.748 2.299 . . . . 0.0 111.675 176.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -90.18 -21.07 22.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.274 0.559 . . . . 0.0 110.224 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -127.73 144.92 51.05 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.589 ' O ' HG12 ' A' ' 97' ' ' ILE . 12.1 pt-20 -69.98 -25.74 63.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.717 0.294 . . . . 0.0 110.434 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -59.15 -31.99 69.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.824 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -59.18 -49.29 78.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.107 0.479 . . . . 0.0 109.938 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.44 -45.31 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 93' ' ' GLU . 45.1 mm -56.02 -47.97 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.001 0.429 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -62.26 -42.86 99.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.114 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -72.49 -30.47 64.56 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.107 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.55 -50.03 75.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.009 0.433 . . . . 0.0 110.015 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.43 -50.14 70.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.709 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.23 -47.96 77.44 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.87 0.367 . . . . 0.0 111.091 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -56.16 -48.97 75.28 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.967 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 6.0 mm-40 -73.57 -17.73 61.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.748 -177.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -66.97 -55.14 15.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 0.0 111.051 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 30.7 mt-10 -120.56 -37.93 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -172.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 141.21 -177.17 21.22 Favored Glycine 0 C--O 1.238 0.366 0 C-N-CA 120.077 -1.059 . . . . 0.0 113.458 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -63.49 -33.72 76.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.317 -0.442 . . . . 0.0 110.592 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.95 -44.23 97.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 106' ' ' GLU . . . -59.74 -41.11 90.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.996 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.08 -59.15 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.181 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 42.0 mm -51.66 -49.01 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.5 -22.34 64.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.7 p -72.07 -34.94 69.1 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.097 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.681 ' HD2' ' HG ' ' A' ' 86' ' ' LEU . 83.8 m-85 -57.52 -53.6 56.3 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.886 0.374 . . . . 0.0 111.138 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' A' ' 56' ' ' ARG . 2.7 mp -69.21 -31.02 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.799 -172.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.52 -16.27 37.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.77 0.319 . . . . 0.0 111.177 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.5 t -59.19 129.14 86.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.084 0.469 . . . . 0.0 111.504 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PRO . . . . . 0.534 ' O ' HG22 ' A' ' 122' ' ' THR . 27.9 Cg_endo -62.56 -39.64 43.38 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.13 2.554 . . . . 0.0 112.727 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.29 -26.72 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.207 0.527 . . . . 0.0 110.309 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.721 ' CE2' ' HD2' ' A' ' 52' ' ' ARG . 23.4 t80 -75.6 -39.89 57.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.652 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 119' ' ' PRO . 2.8 t -74.44 -24.94 59.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.958 0.409 . . . . 0.0 110.311 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -77.53 -33.35 54.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.454 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.2 p -81.18 -41.94 21.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.702 -177.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.416 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 94.2 m-85 -108.35 -38.82 5.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.62 -168.98 18.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.446 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.458 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 16.4 m-20 -95.71 -22.23 17.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.749 0.309 . . . . 0.0 111.084 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.541 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 89.2 m95 -118.41 10.17 12.62 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.462 HG22 ' HG3' ' A' ' 4' ' ' GLU . 97.4 t -112.17 135.36 51.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.822 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.93 124.25 89.42 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.199 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.43 ' HG3' ' OH ' ' A' ' 121' ' ' TYR . 37.9 Cg_endo -65.29 109.15 1.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.804 2.336 . . . . 0.0 112.231 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -105.8 145.3 31.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -62.93 129.06 38.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.274 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.721 177.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.234 0.304 0 CA-C-O 121.025 0.344 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.39 103.23 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.771 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.65 145.97 47.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.756 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.519 ' HB2' HG21 ' A' ' 17' ' ' VAL . 33.6 tp -100.98 116.24 32.37 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 3.4 mpt_? -80.76 161.92 24.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.322 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.08 81.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 110.302 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -104.09 46.93 0.89 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.751 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -62.35 156.28 22.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.253 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t -106.53 167.41 9.87 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 171.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.13 -33.51 67.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 110.255 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.28 -45.68 90.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.466 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -68.96 -43.44 75.0 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.252 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' A' ' 44' ' ' LEU . 33.1 tp -57.32 -51.88 67.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.728 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.29 -30.94 71.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.418 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.9 m -63.2 -47.73 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.023 0.439 . . . . 0.0 110.178 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 5' ' ' LEU . 94.7 t -64.75 -47.66 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 70.4 mt -61.39 -48.66 87.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.279 -178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -61.33 -33.45 73.64 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.202 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.76 84.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.284 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -83.88 -32.79 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.499 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.507 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.349 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 58' ' ' VAL . 1.7 pt? . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 121.389 0.614 . . . . 0.0 112.201 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.1 p -63.99 -25.41 38.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.458 0.647 . . . . 0.0 109.385 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.448 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.0 p -64.27 -39.02 93.09 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.357 175.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.39 95.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.322 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.54 -39.3 87.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.55 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.5 t -65.1 -44.93 87.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.418 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 39' ' ' SER . 96.0 mt -63.02 -33.24 75.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.094 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 14' ' ' LEU . 38.3 tp -71.51 -41.2 69.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.472 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -66.1 -29.58 69.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.98 0.419 . . . . 0.0 111.21 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -91.05 8.11 37.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.078 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 34.03 87.3 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 113.178 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -92.53 -41.12 10.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.753 0.311 . . . . 0.0 111.061 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.562 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 43.0 pt -106.47 155.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.595 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.3 p -90.83 174.17 7.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.125 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.504 HG23 ' CE3' ' A' ' 128' ' ' TRP . 90.9 t -61.47 -32.83 54.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.773 ' HD2' HG21 ' A' ' 122' ' ' THR . 3.9 mmp_? -61.39 -49.36 77.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.243 176.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.562 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 58.9 mm-40 -63.47 -42.36 98.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.05 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' HZ ' HG23 ' A' ' 18' ' ' ILE . 76.9 t80 -63.31 -50.73 68.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.674 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.12 -42.48 90.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.554 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.9 ' HD3' HG13 ' A' ' 116' ' ' ILE . 17.9 ttp180 -61.41 -42.17 98.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.64 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.49 87.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.169 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.467 HG22 HD11 ' A' ' 37' ' ' LEU . 56.9 t -66.65 -45.88 87.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.804 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.34 78.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.628 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.526 ' HD2' ' HG2' ' A' ' 56' ' ' ARG . 7.2 mtpp -76.19 -13.41 60.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.576 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.0 p -110.53 -92.95 0.44 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.196 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 65.0 -58.66 0.26 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.538 0.735 . . . . 0.0 110.415 -173.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.4 tp 77.68 161.96 0.22 Allowed 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 124.074 0.949 . . . . 0.0 111.142 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 69.91 -174.1 0.18 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.408 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mptt . . . . . 0 C--N 1.321 -0.639 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.719 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -79.79 -26.93 40.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -58.48 -29.09 65.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.851 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -56.85 -35.35 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.308 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.0 t -73.84 -36.31 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.302 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.14 -41.99 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.345 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.59 -52.01 67.37 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 tt -52.31 -55.38 21.81 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.755 HD21 HG12 ' A' ' 112' ' ' ILE . 45.8 t-20 -54.28 -61.12 2.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.596 -1.183 . . . . 0.0 111.236 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.79 -28.17 63.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.995 -171.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.45 -26.42 66.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.942 0.401 . . . . 0.0 110.161 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -95.65 -37.55 10.77 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.07 -37.36 26.53 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.9 mt -98.1 -18.59 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.283 0.563 . . . . 0.0 110.151 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.653 ' CA ' ' HA ' ' A' ' 133' ' ' TYR . . . 85.44 13.74 69.96 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.071 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -168.07 135.33 2.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.5 160.18 77.62 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.855 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -46.58 138.24 14.53 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.104 2.536 . . . . 0.0 112.586 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -68.92 -58.85 3.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.841 -171.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 93' ' ' GLU . 35.5 t70 -137.09 -177.4 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.596 0.236 . . . . 0.0 110.925 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.475 ' H ' ' CG ' ' A' ' 92' ' ' ASP . 8.0 tp10 -51.21 -37.2 45.49 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.083 0.953 . . . . 0.0 112.052 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 p -54.07 -45.1 71.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.552 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.23 -40.1 78.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.048 0.451 . . . . 0.0 110.154 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.1 t -61.91 -51.17 75.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.478 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.35 -51.18 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.68 -43.61 85.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.334 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -79.05 -34.48 43.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.22 -42.09 98.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.54 -55.14 35.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.705 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 111' ' ' ASP . 28.0 tp -66.04 -43.47 87.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.922 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.04 -46.64 87.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.325 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -85.23 -29.1 24.93 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.794 -175.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.41 -57.7 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -93.93 -32.18 13.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.324 -173.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.57 167.25 12.93 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.008 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -64.82 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.72 -49.31 73.37 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.541 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.26 -44.78 82.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.414 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.531 ' HA ' HD23 ' A' ' 102' ' ' LEU . 28.0 t70 -65.01 -42.87 94.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.755 HG12 HD21 ' A' ' 81' ' ' ASN . 74.1 mt -61.46 -34.3 60.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.337 0.589 . . . . 0.0 110.896 176.058 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.625 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -70.03 -25.48 63.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.605 -176.581 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.8 m -61.38 -28.34 69.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.87 -37.7 86.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.63 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.9 HG13 ' HD3' ' A' ' 56' ' ' ARG . 46.2 mm -77.87 -24.12 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.288 -178.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.74 14.21 1.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.417 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -110.71 80.78 2.24 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.891 0.377 . . . . 0.0 110.0 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.64 -43.29 0.66 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.409 2.073 . . . . 0.0 112.503 -175.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -57.01 -48.1 79.28 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.081 0.467 . . . . 0.0 110.63 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -65.09 -41.17 95.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.312 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.773 HG21 ' HD2' ' A' ' 52' ' ' ARG . 54.3 m -61.02 -47.3 87.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.406 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -57.87 -37.16 73.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.952 0.406 . . . . 0.0 110.579 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 m -84.5 -17.96 37.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.827 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -98.92 -38.4 9.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.846 0.355 . . . . 0.0 111.33 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 147.83 106.82 0.45 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.691 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -65.18 -42.83 93.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.197 0.522 . . . . 0.0 110.301 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.504 ' CE3' HG23 ' A' ' 51' ' ' VAL . 79.2 m95 -114.55 38.02 3.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.55 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 58.0 t -118.21 143.07 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.552 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 63.2 t -78.78 127.33 80.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.157 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.78 130.91 37.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.97 2.447 . . . . 0.0 113.026 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -126.1 163.81 22.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.416 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.653 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 18.8 p90 -72.01 122.46 20.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.36 0.6 . . . . 0.0 111.235 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.463 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.46 -0.451 0 N-CA-C 111.523 -0.222 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 43.7 t -76.68 99.12 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 9.6 pt-20 -101.26 151.54 21.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.904 0.383 . . . . 0.0 111.417 -174.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.505 HD13 HG21 ' A' ' 17' ' ' VAL . 61.9 tp -115.83 111.64 20.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.593 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -95.25 162.51 13.66 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.199 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.97 -21.85 66.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.986 0.422 . . . . 0.0 111.012 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -113.44 87.05 2.52 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.527 ' CZ2' ' HG3' ' A' ' 45' ' ' ARG . 47.4 p-90 -109.5 152.85 24.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.476 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -86.64 150.99 23.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.079 171.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 38.8 tt0 -53.98 -45.98 71.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.61 -176.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.59 -25.16 62.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.392 . . . . 0.0 111.045 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.22 -46.52 73.57 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.0 -38.38 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.357 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 11.6 mm-40 -55.66 -41.65 73.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.725 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -70.35 -38.23 74.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 5' ' ' LEU . 96.3 t -59.86 -53.71 44.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.99 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.494 ' HB ' ' CZ ' ' A' ' 22' ' ' TYR . 30.9 pt -69.31 -30.26 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.083 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 19' ' ' ARG . 9.3 ttp180 -67.29 -26.05 66.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.878 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.24 -31.73 38.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.447 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.2 -51.21 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.645 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' CZ ' ' HB ' ' A' ' 18' ' ' ILE . 23.8 p90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.07 0.462 . . . . 0.0 110.275 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.59 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 77.9 mt . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.75 -36.84 68.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.972 0.415 . . . . 0.0 111.015 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 49.6 m -63.23 -40.76 98.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.983 0.421 . . . . 0.0 110.282 177.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.1 86.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.492 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 61.0 mt-10 -57.09 -50.8 71.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 177.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -62.51 -39.95 95.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.013 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 39' ' ' SER . 88.1 mt -66.34 -40.18 89.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.973 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 tp -71.1 -40.96 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.353 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 9' ' ' TRP . 65.9 ttp85 -57.69 -37.12 72.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.134 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -94.23 10.29 34.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.285 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.36 30.07 64.16 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.127 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -84.65 -28.45 26.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.009 0.433 . . . . 0.0 110.447 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.61 153.26 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.109 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.3 p -76.37 154.97 34.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.433 HG23 ' CE3' ' A' ' 128' ' ' TRP . 84.2 t -60.36 -36.23 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.702 ' HD3' HG21 ' A' ' 122' ' ' THR . 18.7 ttp180 -56.26 -47.4 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.164 0.507 . . . . 0.0 110.434 176.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -70.11 -36.23 74.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.661 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' VAL . 91.7 t80 -60.01 -51.96 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 177.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.9 -40.15 82.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.71 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HB2' HG21 ' A' ' 116' ' ' ILE . 12.9 ttp180 -57.16 -50.48 72.69 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.299 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.99 -51.07 71.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.766 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.555 HG22 HD13 ' A' ' 37' ' ' LEU . 86.3 t -56.73 -51.75 62.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.821 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.61 -28.6 68.63 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -173.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -100.65 5.7 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -174.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.512 ' OG ' HD21 ' A' ' 37' ' ' LEU . 62.2 p -120.07 16.75 12.47 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -174.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.08 133.76 43.88 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.173 0.511 . . . . 0.0 110.881 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.79 -63.53 1.26 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.867 -170.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -120.22 160.83 22.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.881 0.372 . . . . 0.0 111.088 -173.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.682 176.534 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -57.71 -22.2 45.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.776 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.491 HG23 HG11 ' A' ' 96' ' ' VAL . 17.9 m -44.65 -37.83 3.92 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.324 172.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -59.59 -31.37 69.41 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.642 -179.554 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 47.0 t -72.39 -40.61 64.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.864 0.364 . . . . 0.0 110.666 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -43.96 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 0.0 109.921 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 47.4 mt-10 -63.39 -36.99 85.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.961 175.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 10.2 tt -55.42 -48.87 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.927 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.73 -39.34 91.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -50.43 74.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.696 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 14.8 mtpp -69.56 -24.41 63.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.319 -176.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -90.58 -40.01 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 112' ' ' ILE . 94.9 mt -89.77 -42.82 11.08 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.694 -173.289 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' HG ' ' HD1' ' A' ' 115' ' ' TYR . 53.7 mt -96.1 -21.73 17.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.112 0.482 . . . . 0.0 110.439 177.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.53 18.87 57.91 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.17 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.447 ' HA ' ' CE1' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -156.57 176.91 12.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.319 0.56 . . . . 0.0 110.738 175.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.91 157.18 46.37 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.096 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.21 142.12 56.96 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.448 2.098 . . . . 0.0 111.774 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -78.41 -33.45 48.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.312 0.577 . . . . 0.0 109.683 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -146.91 158.64 43.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.162 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 97' ' ' ILE . 13.4 pt-20 -75.06 -10.81 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.53 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 p -59.82 -39.03 83.69 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.226 0.536 . . . . 0.0 109.98 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 37.0 mt-10 -64.79 -39.61 93.88 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.488 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG11 HG23 ' A' ' 75' ' ' THR . 58.2 t -61.24 -44.99 99.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.357 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 93' ' ' GLU . 72.7 mt -56.79 -45.19 82.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.734 177.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -58.96 -43.73 91.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.772 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.4 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 47.4 m-70 -72.37 -34.59 68.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.308 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.23 -49.02 79.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.124 0.488 . . . . 0.0 109.953 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.25 -48.38 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.732 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 111' ' ' ASP . 52.3 tp -60.56 -45.33 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.821 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.01 -37.77 86.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.059 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.2 -33.79 29.23 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.937 -177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -81.53 -58.98 2.78 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.396 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -94.06 -32.85 13.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.75 0.31 . . . . 0.0 111.318 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.5 176.59 17.97 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.856 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -63.22 -24.75 68.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 110.787 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 16.4 t70 -55.51 -48.71 74.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.449 176.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.1 -35.18 59.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.24 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.445 ' HA ' HD23 ' A' ' 102' ' ' LEU . 29.5 t70 -59.69 -57.71 11.76 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.495 HG23 HD11 ' A' ' 85' ' ' LEU . 63.5 mt -62.13 -37.66 79.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.073 0.463 . . . . 0.0 110.812 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 1.3 t70 -67.27 -33.67 75.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.395 -175.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 87.0 p -58.32 -39.81 80.41 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.439 ' HD1' ' HG ' ' A' ' 86' ' ' LEU . 93.7 m-85 -64.25 -37.45 87.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.354 0.597 . . . . 0.0 110.596 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' A' ' 56' ' ' ARG . 40.1 mt -90.35 -15.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.221 -170.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -75.62 -16.42 60.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.142 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.2 t -92.16 110.98 47.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.922 0.392 . . . . 0.0 111.142 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.0 -25.27 16.45 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.541 2.16 . . . . 0.0 111.68 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.53 -53.19 60.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.97 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -72.93 -33.29 65.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.127 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.702 HG21 ' HD3' ' A' ' 52' ' ' ARG . 95.5 m -58.19 -55.92 28.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.032 0.444 . . . . 0.0 110.524 176.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.489 ' HA ' ' OD1' ' A' ' 127' ' ' ASP . 4.4 t-20 -65.77 -26.4 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.906 -178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.2 t -79.22 -17.59 54.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.916 -177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.566 ' HE2' ' HB3' ' A' ' 131' ' ' PRO . 1.9 t80 -114.93 -38.38 3.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.34 -176.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.642 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 154.72 103.37 0.22 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.814 178.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.489 ' OD1' ' HA ' ' A' ' 123' ' ' ASN . 4.9 m-20 -65.95 -34.59 78.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 110.603 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.433 ' CE3' HG23 ' A' ' 51' ' ' VAL . 91.9 m95 -120.56 26.27 9.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.978 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.642 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 61.7 t -121.65 137.14 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.478 -176.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 61.3 t -79.13 120.57 81.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.566 ' HB3' ' HE2' ' A' ' 125' ' ' PHE . 50.8 Cg_exo -54.98 141.77 77.93 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.256 2.638 . . . . 0.0 113.604 -176.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -123.24 172.38 8.66 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.447 ' CE1' ' HA ' ' A' ' 88' ' ' ARG . 2.4 t80 -81.43 129.85 34.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.084 0.468 . . . . 0.0 111.21 -177.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.688 -177.408 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.598 0.166 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.24 107.58 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.983 0.421 . . . . 0.0 109.885 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -140.32 147.99 40.7 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.604 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.562 ' HB2' HG21 ' A' ' 17' ' ' VAL . 31.6 tp -106.47 102.54 11.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.8 mtm-85 -73.49 151.8 40.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.559 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.16 -41.0 64.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.867 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -93.58 89.62 6.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.252 0.549 . . . . 0.0 109.706 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.546 ' HH2' ' HG3' ' A' ' 45' ' ' ARG . 64.4 p-90 -115.2 160.36 19.82 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.359 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -109.96 169.22 8.87 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 171.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.87 -36.36 65.04 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.016 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.82 -37.98 86.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.568 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.5 m-20 -63.26 -51.64 65.32 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.169 0.509 . . . . 0.0 109.925 175.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.26 -44.78 84.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.748 -177.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -55.42 -51.68 66.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.965 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.3 m -60.9 -40.32 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 5' ' ' LEU . 96.3 t -65.53 -50.18 73.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.803 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.24 -39.01 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.198 0.523 . . . . 0.0 110.827 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.462 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 2.6 tmm_? -66.2 -30.73 71.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.575 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.94 -37.87 21.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.451 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 17' ' ' VAL . 96.7 t -65.03 -51.51 65.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.877 0.37 . . . . 0.0 110.264 178.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 174.871 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 58' ' ' VAL . 86.6 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.899 0.381 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.7 -26.04 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.339 0.59 . . . . 0.0 109.736 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.1 p -63.6 -41.23 98.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.322 174.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.06 84.35 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.307 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -58.57 -43.64 89.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.032 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.2 t -64.55 -41.01 96.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.957 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 39' ' ' SER . 85.9 mt -58.37 -46.57 86.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.912 0.386 . . . . 0.0 110.267 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.2 tp -66.65 -43.96 83.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.302 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HG3' ' HH2' ' A' ' 9' ' ' TRP . 32.6 ttt180 -61.84 -38.13 87.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.906 -176.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -91.66 8.8 35.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.087 -176.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.41 32.1 68.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.145 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -88.59 -31.73 18.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.876 0.37 . . . . 0.0 110.346 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.807 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 43.0 pt -135.9 166.57 26.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.858 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p -97.63 -176.54 3.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' CE3' ' A' ' 128' ' ' TRP . 95.6 t -62.1 -28.16 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 110.339 177.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.484 ' CD ' HG21 ' A' ' 122' ' ' THR . 28.4 mtm180 -62.8 -51.0 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.465 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.807 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 3.9 mp0 -66.97 -33.83 76.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.98 0.419 . . . . 0.0 110.333 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.471 ' O ' HG23 ' A' ' 58' ' ' VAL . 69.8 t80 -62.53 -53.67 51.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.452 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 51' ' ' VAL . 93.6 t -63.71 -35.39 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.593 HH21 ' HG3' ' A' ' 53' ' ' GLU . 59.0 ttp85 -61.91 -42.2 98.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.399 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -35.2 80.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.815 0.341 . . . . 0.0 110.681 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 54' ' ' PHE . 69.2 t -70.82 -46.28 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.945 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.81 -33.6 66.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.779 -176.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 53.1 mtpt -100.41 17.15 22.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.387 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 p -66.83 170.46 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.161 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.91 168.0 19.8 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.266 -0.271 . . . . 0.0 111.707 -175.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 99.3 mt 72.28 173.71 0.3 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.934 0.771 . . . . 0.0 111.213 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.6 t80 56.83 68.74 0.82 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.646 0.591 . . . . 0.0 111.031 174.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.468 0.457 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.388 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.232 0.539 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -64.06 -39.64 94.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.987 176.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.7 m -56.64 -32.24 65.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.117 0.484 . . . . 0.0 111.422 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -68.1 -24.9 65.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.749 -176.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 83.9 t -61.87 -52.45 60.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.16 0.505 . . . . 0.0 109.771 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 99' ' ' HIS . 48.4 mt -56.76 -45.96 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.821 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.2 -42.79 99.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.161 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.57 -37.75 73.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.23 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.38 -42.81 99.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.663 0.268 . . . . 0.0 110.61 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -63.78 -43.78 95.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.242 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.31 -32.5 73.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 111.423 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -81.29 -29.5 34.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.839 -175.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.9 mt -101.35 -53.66 2.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.1 mt -105.22 -26.61 11.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 111.433 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.661 ' HA3' ' HA ' ' A' ' 133' ' ' TYR . . . 75.24 14.91 81.47 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.572 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -123.07 132.87 54.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.47 155.45 58.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 123.565 0.54 . . . . 0.0 111.395 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.23 143.34 26.23 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.167 2.578 . . . . 0.0 112.115 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.646 ' HB2' ' HG3' ' A' ' 95' ' ' GLU . 83.7 m-85 -68.77 -33.97 74.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.42 -170.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -156.98 167.67 29.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.6 tp10 -63.41 -41.24 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 175.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -65.76 -34.52 78.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.045 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.646 ' HG3' ' HB2' ' A' ' 91' ' ' TYR . 1.4 tm-20 -58.87 -44.01 90.99 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.125 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.57 -43.19 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.746 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 93' ' ' GLU . 47.9 mm -58.63 -42.33 84.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.467 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -58.8 -42.97 90.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.709 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.471 ' HB2' HD13 ' A' ' 78' ' ' ILE . 54.0 m-70 -71.71 -35.65 70.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.417 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 86.9 mt -58.27 -48.05 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.265 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.0 -35.95 82.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.708 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.15 -42.36 99.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TYR . . . . . 0.457 ' O ' ' HA2' ' A' ' 107' ' ' GLY . 23.0 t80 -63.15 -36.68 84.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.193 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 46.2 mt-10 -75.7 -47.57 25.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.854 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -59.1 3.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.978 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.97 -36.13 8.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.747 -172.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 103' ' ' TYR . . . 111.2 177.69 20.4 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.643 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 112' ' ' ILE . 23.3 p90 -60.75 -24.17 65.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.564 -0.318 . . . . 0.0 111.011 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.533 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -53.78 -59.92 3.99 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 175.35 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 113' ' ' ASP . . . -66.0 -28.63 69.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.388 -177.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -63.62 -43.82 95.73 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.669 -0.413 . . . . 0.0 109.892 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 108' ' ' PHE . 36.2 mm -67.76 -45.24 84.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 121.413 0.625 . . . . 0.0 110.045 174.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 110' ' ' ALA . 8.8 m-20 -63.74 -20.24 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.101 -178.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 m -47.7 -42.71 25.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.425 0.155 . . . . 0.0 111.314 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -88.33 -50.86 6.07 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 56' ' ' ARG . 55.8 mt -74.53 -30.44 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -168.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.29 -13.2 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.838 0.352 . . . . 0.0 110.621 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.6 p -100.15 117.63 62.87 Favored Pre-proline 0 C--O 1.236 0.376 0 CA-C-O 121.235 0.54 . . . . 0.0 110.83 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.86 -39.82 58.65 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.765 2.31 . . . . 0.0 112.515 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.71 -45.25 92.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.9 0.381 . . . . 0.0 111.145 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -71.5 -34.94 70.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.446 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.484 HG21 ' CD ' ' A' ' 52' ' ' ARG . 28.4 m -75.89 -50.93 13.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.996 0.427 . . . . 0.0 110.61 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.32 -19.91 62.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.1 t -47.37 -49.61 24.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.565 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -127.88 -12.11 5.36 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 151.42 144.81 4.0 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 119.512 -1.328 . . . . 0.0 113.81 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.21 -32.74 18.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.502 0.668 . . . . 0.0 110.085 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' TRP . . . . . 0.446 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 82.0 m95 -103.45 19.1 20.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.157 -173.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 59.2 t -93.91 141.24 15.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.794 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.49 136.19 71.67 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.38 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -39.03 119.8 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 124.316 3.344 . . . . 0.0 113.033 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -87.27 143.83 27.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.303 -174.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' TYR . . . . . 0.661 ' HA ' ' HA3' ' A' ' 87' ' ' GLY . 34.6 t80 -109.7 122.18 46.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 160.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.024 0.44 . . . . 0.0 110.201 -175.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HB3' ' HB3' ' A' ' 132' ' ' TYR . 50.8 Cg_exo . . . . . 0 C--O 1.231 0.14 0 N-CA-C 111.774 -0.125 . . . . 0.0 111.774 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.12 109.61 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.185 0.517 . . . . 0.0 111.902 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.42 156.75 30.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.118 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 tp -112.42 100.29 8.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.513 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 84.9 mtt-85 -80.73 158.08 25.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.225 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.63 37.16 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.401 . . . . 0.0 111.979 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 6' ' ' ARG . 7.7 t30 -169.86 77.09 0.09 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.513 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 42.5 p-90 -118.61 169.96 9.36 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.549 -173.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t -114.67 172.45 7.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 170.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.61 -33.71 75.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.598 0.237 . . . . 0.0 111.288 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.35 -43.9 96.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.149 0.499 . . . . 0.0 109.729 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.15 -44.68 83.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.163 177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.81 -46.07 90.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.859 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -58.72 -37.44 76.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.425 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.6 m -61.42 -43.06 99.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.566 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 21' ' ' VAL . 62.9 t -69.81 -49.45 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.012 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.14 -50.22 78.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.296 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -67.08 -31.84 72.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.492 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.62 -33.34 75.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 110.753 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 17' ' ' VAL . 68.1 t -76.93 -53.15 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.083 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.043 -175.767 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.463 0.211 0 CA-C-O 121.212 0.529 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.76 -33.75 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.933 -174.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 14.0 m -67.28 -41.72 84.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.065 0.46 . . . . 0.0 110.295 177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.03 -36.32 77.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.47 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.01 -49.07 79.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.518 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.8 m -58.47 -42.74 88.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.726 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.5 mt -60.62 -38.88 86.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.042 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.5 tp -78.18 -40.25 38.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.827 0.346 . . . . 0.0 110.812 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' O ' ' HH2' ' A' ' 9' ' ' TRP . 58.6 ttt180 -68.41 -34.19 75.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.471 -175.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -85.2 -24.52 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.526 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.59 49.1 2.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.965 -0.635 . . . . 0.0 113.087 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -98.42 -47.84 5.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.568 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 pt -96.53 172.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 -175.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.3 p -102.6 168.54 9.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.291 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.1 t -64.5 -28.29 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.102 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -55.4 -44.6 76.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.38 176.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.17 -34.7 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.875 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.03 -47.59 85.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.25 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.039 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 33.0 ttm180 -49.16 -52.45 26.37 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.422 178.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.37 86.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.678 -175.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.9 t -73.82 -40.76 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.072 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.6 63.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.332 -174.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 16.3 ptpt -85.23 16.5 3.56 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.8 m -109.18 -91.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.149 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 48.64 32.96 3.79 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 122.842 0.457 . . . . 0.0 111.935 -175.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.9 mt 69.83 6.35 5.69 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.441 0.696 . . . . 0.0 112.299 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 69.04 -68.68 0.18 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.548 0.739 . . . . 0.0 111.561 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.429 0.633 . . . . 0.0 110.598 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -64.68 -26.57 68.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.678 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.512 HG22 HD21 ' A' ' 100' ' ' LEU . 54.7 p -61.61 -46.33 90.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.508 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.592 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 97.9 mtt180 -68.43 -28.74 67.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.605 -175.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.22 -50.29 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 175.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.536 HD13 ' HB3' ' A' ' 99' ' ' HIS . 70.0 mt -60.68 -42.57 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.296 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 75' ' ' THR . 49.1 mt-10 -58.72 -38.72 78.97 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 90.3 mt -61.35 -56.71 17.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -65.33 -36.16 83.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 110.296 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 7.7 t80 -55.89 -49.54 73.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.838 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -66.32 -40.19 89.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.089 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -62.79 -41.5 99.29 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 131' ' ' PRO . 93.0 mt -84.34 -50.47 7.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.336 -173.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.0 mt -96.73 -10.5 26.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -169.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.1 30.08 69.65 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.094 -174.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.533 ' HG3' ' HD2' ' A' ' 134' ' ' ARG . 69.0 ttt180 -143.91 141.07 30.06 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -171.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.89 147.92 37.19 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 120.502 0.191 . . . . 0.0 110.594 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.33 129.49 30.06 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.665 2.243 . . . . 0.0 111.754 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -81.21 -42.48 20.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.879 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -117.94 177.56 4.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.562 ' O ' HG12 ' A' ' 97' ' ' ILE . 32.7 tt0 -87.04 -28.48 22.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.52 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.6 t -63.29 -38.14 89.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.663 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -46.88 82.87 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.455 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 41.7 t -64.41 -41.34 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.042 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 93' ' ' GLU . 50.5 mm -58.94 -39.82 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -63.18 -41.68 99.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.225 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.536 ' HB3' HD13 ' A' ' 78' ' ' ILE . 89.7 m-70 -66.84 -38.59 86.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.647 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.512 HD21 HG22 ' A' ' 75' ' ' THR . 88.1 mt -58.12 -48.29 80.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.206 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 20.5 t70 -60.75 -47.62 85.5 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.475 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.24 -45.44 94.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.874 0.369 . . . . 0.0 111.004 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -58.94 -42.12 89.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.627 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -87.89 -18.32 29.45 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.664 -176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.691 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 1.2 t-20 -85.17 -58.24 2.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.776 0.322 . . . . 0.0 111.253 -177.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -105.82 -33.56 7.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.291 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.77 172.33 12.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.298 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -67.41 -38.48 84.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.232 0.539 . . . . 0.0 109.732 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.45 -40.37 74.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.564 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.95 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.764 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.07 -40.46 82.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.575 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 35.4 mm -64.28 -34.41 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.396 0.617 . . . . 0.0 110.313 175.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.529 ' HA ' HD12 ' A' ' 116' ' ' ILE . 9.7 t70 -70.39 -20.28 62.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.426 -175.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.3 p -54.08 -46.63 72.09 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.629 ' HD1' ' HB3' ' A' ' 121' ' ' TYR . 26.5 t80 -62.35 -29.69 70.64 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.141 0.496 . . . . 0.0 111.164 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 113' ' ' ASP . 9.8 mt -85.16 -33.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 -176.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.46 -30.63 29.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.534 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 62.5 p -85.37 120.88 73.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 0.0 111.272 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.86 -25.47 52.82 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.346 2.031 . . . . 0.0 111.343 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.85 -58.13 9.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.793 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.629 ' HB3' ' HD1' ' A' ' 115' ' ' TYR . 45.6 m-85 -63.88 -39.15 93.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.744 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 76.8 m -56.88 -52.27 65.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.301 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -20.72 57.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.838 0.351 . . . . 0.0 110.791 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.8 t -63.62 -49.6 72.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.665 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -97.07 -34.7 11.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 124.93 135.35 4.36 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 52.8 t0 -69.07 -50.52 47.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -95.21 12.93 27.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.898 -177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.17 136.9 48.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.134 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.8 118.12 70.57 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.453 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -50.95 119.79 5.79 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.938 2.425 . . . . 0.0 112.53 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 2' ' ' PRO . 41.2 p90 -87.41 160.74 18.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.094 -175.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -78.1 136.98 37.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.052 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.533 ' HD2' ' HG3' ' A' ' 88' ' ' ARG . 1.8 ptm180 . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.827 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 96.0 mmm . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 19.6 Cg_exo -65.98 133.5 33.72 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.896 2.397 . . . . 0.0 112.419 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 40.6 t -88.08 125.38 41.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -137.7 146.78 44.19 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp -99.89 107.82 19.91 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 88.9 mtt180 -90.0 159.55 16.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.956 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.65 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.328 0.585 . . . . 0.0 110.473 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -101.16 86.34 3.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.89 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.408 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 68.8 p-90 -118.69 150.2 40.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.439 0.637 . . . . 0.0 112.006 -174.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.7 t -98.22 155.62 17.09 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 170.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.766 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 34.6 mt-10 -57.89 -40.34 80.04 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.866 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -56.05 -36.25 67.84 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.04 0.448 . . . . 0.0 111.675 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 17' ' ' VAL . 33.3 t70 -67.91 -44.69 76.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.728 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' A' ' 45' ' ' ARG . 64.0 tp -66.95 -37.12 83.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.265 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.766 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 5.1 mm-40 -57.99 -36.32 72.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.283 0.563 . . . . 0.0 109.605 176.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -67.23 -43.14 82.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.383 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 13' ' ' ASP . 96.9 t -60.13 -55.4 24.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.436 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.4 pt -63.09 -34.92 69.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.491 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -75.41 -19.97 59.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.73 0.3 . . . . 0.0 111.563 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.83 -35.18 44.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.768 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.82 -42.67 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.448 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.34 146.7 47.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.249 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -82.22 91.33 6.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.06 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.59 104.08 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 27' ' ' GLY . 22.2 m -78.57 -176.56 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.221 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 pp -69.98 -12.33 61.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.452 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.447 ' H ' HG23 ' A' ' 25' ' ' VAL . . . -83.67 113.29 3.69 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.6 -65.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -124.92 80.92 1.91 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.349 0.595 . . . . 0.0 111.166 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -131.47 22.11 4.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.012 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.4 p 43.93 66.45 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-O 122.254 1.026 . . . . 0.0 110.92 -169.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.3 mmt 61.82 -167.3 0.2 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.178 -1.374 . . . . 0.0 111.249 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.03 79.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 p 49.97 24.33 1.32 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.837 0.855 . . . . 0.0 111.827 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.74 100.28 12.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.628 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -136.47 102.94 5.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.197 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 58' ' ' VAL . 29.9 mt -105.68 65.96 0.72 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.51 176.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.2 p -55.02 -33.27 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.966 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -76.04 -45.3 35.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.653 0.263 . . . . 0.0 110.704 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.71 99.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.689 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -58.9 -50.42 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.156 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 p -68.68 -39.54 80.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.369 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.5 mt -68.26 -38.29 81.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.502 0.191 . . . . 0.0 111.199 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.7 tp -71.82 -39.02 70.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.394 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.535 ' HA ' HD21 ' A' ' 14' ' ' LEU . 19.6 ttt85 -69.84 -18.62 63.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.669 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -94.35 -2.68 51.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.666 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.79 42.44 97.09 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.775 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -106.07 -36.53 6.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.826 0.346 . . . . 0.0 111.182 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.8 pt -103.31 152.9 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.6 p -84.85 162.55 19.48 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 55' ' ' VAL . 61.3 t -58.56 -34.65 51.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.189 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HD2' HG23 ' A' ' 122' ' ' THR . 1.0 OUTLIER -55.4 -49.77 71.47 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.415 0.626 . . . . 0.0 110.422 177.471 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.66 -33.67 72.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.82 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -66.37 -37.97 86.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.142 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 51' ' ' VAL . 53.1 t -57.46 -42.52 80.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.675 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 53.6 ttp180 -56.35 -51.84 66.8 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.955 0.407 . . . . 0.0 110.46 177.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.91 -44.21 91.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.593 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' HA ' HD11 ' A' ' 37' ' ' LEU . 59.5 t -73.47 -38.19 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.557 0.218 . . . . 0.0 111.495 -176.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.73 79.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 18.8 ptpt -113.11 17.34 18.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 110.921 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.0 p -55.65 -70.41 0.11 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.642 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -92.91 171.36 9.01 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.92 108.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.038 0.447 . . . . 0.0 110.498 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -69.29 -14.36 62.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.141 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.675 ' HG3' HD23 ' A' ' 69' ' ' LEU . 37.1 ttpt -80.81 73.3 7.8 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.632 0.73 . . . . 0.0 109.17 175.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -99.11 -75.72 0.56 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.079 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -131.36 -48.95 0.99 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.914 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -73.93 82.29 1.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.457 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.675 HD23 ' HG3' ' A' ' 65' ' ' LYS . 22.9 tp -178.03 -70.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.348 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -93.63 -26.29 17.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.452 . . . . 0.0 110.121 177.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.05 30.12 10.45 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.487 ' OD1' ' HB3' ' A' ' 76' ' ' ARG . 8.7 t-20 -161.28 -171.55 3.06 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' HG23 ' A' ' 77' ' ' VAL . 99.3 m-85 -111.5 139.93 46.52 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -56.74 -41.7 77.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.323 0.389 . . . . 0.0 110.982 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -58.97 -43.45 91.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.834 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.55 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 12.5 tpt180 -69.65 -40.58 76.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.159 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 73' ' ' PHE . 96.1 t -59.74 -44.94 94.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.73 -42.71 93.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.732 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.11 -37.54 87.83 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.5 mt -59.92 -50.37 74.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.485 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.98 -43.32 99.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.513 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.479 ' HD2' ' O ' ' A' ' 88' ' ' ARG . 1.3 t80 -57.84 -48.99 78.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.546 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -77.4 -19.92 55.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.264 -0.426 . . . . 0.0 112.103 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -94.98 -30.59 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.424 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.9 mt -101.89 -27.21 13.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.9 mt -112.31 -12.41 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.95 0.405 . . . . 0.0 110.711 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.76 14.82 81.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.372 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.479 ' O ' ' HD2' ' A' ' 82' ' ' TYR . 42.7 ttm180 -145.94 156.16 43.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -93.54 155.17 40.97 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.694 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.05 157.1 14.16 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.982 2.455 . . . . 0.0 112.712 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -98.5 -34.88 10.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.545 -175.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -142.51 168.38 19.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.788 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HG2' HG12 ' A' ' 97' ' ' ILE . 32.9 tt0 -58.85 -27.16 64.87 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.805 0.442 . . . . 0.0 110.822 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.5 m -56.67 -41.76 77.83 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -174.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.57 -43.27 99.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.905 0.383 . . . . 0.0 110.417 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.59 -46.13 93.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.081 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.47 HG12 ' HG2' ' A' ' 93' ' ' GLU . 46.5 mm -61.16 -40.41 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.016 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.38 -44.42 95.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -72.39 -30.92 65.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.998 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.03 -44.9 94.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.35 174.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.21 -40.68 98.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.875 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.09 -40.79 96.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.985 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.68 -31.54 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.838 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.4 -33.02 37.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -73.13 -55.29 6.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.911 0.386 . . . . 0.0 111.257 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -120.21 -37.64 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.539 -174.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.98 -162.47 16.77 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.499 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -74.72 -33.0 62.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.965 0.506 . . . . 0.0 110.724 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.418 ' CG ' ' HZ3' ' A' ' 60' ' ' LYS . 8.1 t70 -60.04 -46.27 90.08 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.419 0.628 . . . . 0.0 110.383 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.74 68.08 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.896 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.59 -48.59 71.96 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 76.7 mt -58.93 -49.71 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.722 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.58 ' HA ' HD12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -58.07 -23.08 53.18 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 m -66.1 -34.04 77.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.725 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -76.92 -10.19 59.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 113' ' ' ASP . 31.6 mt -92.66 -57.82 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.345 -174.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -75.61 -8.7 57.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.172 -172.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.4 t -50.09 109.63 1.36 Allowed Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.887 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.22 -53.79 1.04 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.054 2.503 . . . . 0.0 113.664 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -34.67 73.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.684 0.278 . . . . 0.0 110.962 -172.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 125' ' ' PHE . 37.7 m-85 -70.26 -40.95 74.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.75 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.57 HG23 ' HD2' ' A' ' 52' ' ' ARG . 99.4 m -61.82 -51.85 66.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.771 0.32 . . . . 0.0 111.165 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -68.92 -43.98 74.06 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -175.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.4 t -80.53 -47.81 13.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 84.0 t80 -83.91 -39.19 20.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -172.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.594 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 159.23 127.7 0.93 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 119.643 -1.265 . . . . 0.0 113.441 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -51.14 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.06 0.457 . . . . 0.0 110.432 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -102.43 18.92 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.021 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.594 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 59.0 t -102.97 138.99 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.558 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 58.8 t -85.03 125.21 71.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.516 177.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.438 ' HA ' ' CE2' ' A' ' 125' ' ' PHE . 7.1 Cg_endo -49.39 110.86 0.4 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.714 2.943 . . . . 0.0 113.755 -176.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -106.35 167.16 10.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.512 175.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -65.75 100.9 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 0.0 110.467 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -97.67 90.57 5.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.843 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -70.81 117.59 7.07 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.785 -0.722 . . . . 0.0 111.877 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 63.0 tp -89.0 106.26 18.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.525 ' H ' ' CD ' ' A' ' 137' ' ' GLU . 1.2 pm0 -77.03 117.35 18.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.491 0.662 . . . . 0.0 111.064 -176.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -55.55 132.63 49.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.599 176.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -131.16 158.79 39.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -100.11 84.11 2.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.378 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 53.13 -95.76 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.458 -174.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -159.5 20.73 0.18 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 . . . . . 0 C--O 1.244 0.812 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.777 178.701 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.533 ' HA ' ' CE1' ' A' ' 132' ' ' TYR . 9.3 Cg_exo -70.39 116.13 4.49 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.572 2.181 . . . . 0.0 110.658 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.8 t -69.48 98.94 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.895 0.378 . . . . 0.0 110.299 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 13.1 pt-20 -117.27 153.2 33.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.261 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 17' ' ' VAL . 12.3 tp -119.89 99.29 6.54 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.505 ' O ' ' HE3' ' A' ' 9' ' ' TRP . 20.7 ptt180 -84.66 162.19 19.81 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.077 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.3 36.46 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -166.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -168.97 77.26 0.11 Allowed 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 172.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.505 ' HE3' ' O ' ' A' ' 6' ' ' ARG . 12.9 p90 -111.14 166.38 11.12 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.764 -169.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -98.23 159.03 15.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.17 -24.73 65.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.106 0.479 . . . . 0.0 110.351 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.49 -38.51 91.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.919 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -67.75 -39.78 84.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.383 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.75 ' HG ' ' HG3' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -59.12 -47.22 86.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.538 176.81 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.43 -39.04 78.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.3 m -59.98 -44.72 94.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.377 176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.516 HG21 HD13 ' A' ' 5' ' ' LEU . 72.2 t -61.42 -47.79 91.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.579 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.456 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 92.2 mt -55.13 -51.93 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.885 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -63.1 -27.21 69.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.482 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.04 -36.45 56.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.648 0.261 . . . . 0.0 111.085 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 17' ' ' VAL . 88.8 t -72.47 -48.42 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.722 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 18' ' ' ILE . 87.4 m-85 -73.66 -25.65 60.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 61.4 32.47 19.01 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.653 0.74 . . . . 0.0 110.143 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -78.86 79.64 5.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.142 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -93.39 -18.33 7.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.724 0.773 . . . . 0.0 109.043 172.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 26' ' ' LEU . 2.5 tm? -173.07 -44.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.191 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.51 -95.5 2.05 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.787 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -152.84 151.56 30.56 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -81.91 47.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.492 0.663 . . . . 0.0 110.664 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -138.02 168.26 20.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.706 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' C ' ' H ' ' A' ' 33' ' ' ALA . 21.3 t -59.46 -76.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.303 0 O-C-N 123.076 0.235 . . . . 0.0 110.74 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.4 ttp 72.5 -32.4 0.25 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.42 0.688 . . . . 0.0 112.169 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' H ' ' C ' ' A' ' 31' ' ' VAL . . . 71.97 161.96 0.25 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.661 0.784 . . . . 0.0 111.578 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.4 m -93.95 132.74 38.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.957 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.637 ' HG3' ' HG ' ' A' ' 37' ' ' LEU . 10.0 tp10 -82.13 156.15 24.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.203 0.525 . . . . 0.0 110.506 -174.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.36 33.76 0.98 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.07 -173.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.637 ' HG ' ' HG3' ' A' ' 35' ' ' GLU . 81.2 mt -85.16 8.64 17.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.866 0.365 . . . . 0.0 110.809 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.01 -25.34 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.929 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.428 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 22.5 m -60.3 -48.28 82.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.913 0.387 . . . . 0.0 110.387 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.5 89.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.231 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.13 -41.15 87.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.924 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -68.79 -42.8 76.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.982 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.465 HD22 ' HD2' ' A' ' 48' ' ' LYS . 95.6 mt -61.34 -37.65 84.08 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.4 tp -72.51 -40.14 67.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.584 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.75 ' HG3' ' HG ' ' A' ' 14' ' ' LEU . 25.4 ttp180 -69.67 -33.35 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.339 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -80.27 -23.43 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.045 0.45 . . . . 0.0 110.476 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.68 54.28 1.45 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.532 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HD2' HD22 ' A' ' 43' ' ' LEU . 24.7 ttmm -116.25 -47.56 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.914 0.388 . . . . 0.0 110.609 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 40.5 pt -106.3 161.92 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.415 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -87.04 174.51 8.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.462 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 55' ' ' VAL . 83.9 t -65.89 -36.67 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 1.001 ' HD3' HG21 ' A' ' 122' ' ' THR . 5.3 ttp180 -60.31 -41.87 94.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 176.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 12.1 mm-40 -62.82 -38.32 90.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.019 0.438 . . . . 0.0 110.772 177.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -66.33 -50.7 62.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.304 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 51' ' ' VAL . 84.7 t -58.66 -43.09 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.692 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.501 ' HB2' HG21 ' A' ' 116' ' ' ILE . 20.9 ttt180 -52.29 -53.52 43.13 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.847 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.53 56.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.063 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.61 -35.06 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.609 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.41 79.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -99.9 10.81 40.69 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.489 -0.484 . . . . 0.0 112.206 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 p -98.11 -24.62 15.23 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.967 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.76 170.31 16.7 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.068 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.57 75.21 2.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.196 0.522 . . . . 0.0 110.942 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.716 ' HA ' ' HD2' ' A' ' 68' ' ' PHE . 48.4 p90 -62.35 -25.06 67.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.398 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -80.51 -6.72 58.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.243 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -122.99 -59.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.943 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -40.81 96.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.678 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.716 ' HD2' ' HA ' ' A' ' 64' ' ' TYR . 83.6 m-85 -94.3 -59.18 2.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 111.573 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.3 tp -70.68 -21.49 62.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.895 -167.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -113.07 105.34 13.35 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.908 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 164.98 -62.86 0.24 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.529 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -125.81 -166.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -175.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 77' ' ' VAL . 94.0 m-85 -70.57 146.45 50.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.356 -175.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -52.09 -39.52 59.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.759 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 HG11 ' A' ' 96' ' ' VAL . 6.0 m -58.33 -40.61 82.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.275 0.56 . . . . 0.0 111.013 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 13.8 mmm-85 -79.42 -23.6 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.055 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 73' ' ' PHE . 84.1 t -63.51 -37.04 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.359 0.599 . . . . 0.0 109.515 173.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.497 HD12 HG13 ' A' ' 96' ' ' VAL . 77.3 mt -64.0 -43.55 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.074 174.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -57.5 -36.51 71.6 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.455 175.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 86.0 mt -63.71 -46.73 84.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.889 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -76.84 -28.21 55.4 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.968 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CE1' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -65.09 -45.78 83.78 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.018 0.437 . . . . 0.0 109.975 178.496 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -78.7 -17.77 55.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.409 ' CD2' ' HZ ' ' A' ' 68' ' ' PHE . 60.7 t-80 -74.73 -30.6 61.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 0.0 109.952 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.661 HD11 HG23 ' A' ' 112' ' ' ILE . 76.8 mt -101.02 -51.18 3.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.161 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.705 ' HA ' ' HB2' ' A' ' 131' ' ' PRO . 38.6 mt -112.02 -3.38 14.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -171.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.97 31.35 76.08 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.824 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -130.13 148.14 51.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.669 0.388 . . . . 0.0 110.252 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.25 153.57 37.98 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.35 119.73 6.84 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.623 2.215 . . . . 0.0 111.788 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -74.96 -41.64 59.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.131 0.491 . . . . 0.0 110.399 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -126.97 -179.83 5.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.329 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 97' ' ' ILE . 40.7 tt0 -87.28 -18.54 29.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.551 -176.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.0 m -66.14 -36.85 84.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.222 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.67 -38.34 81.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.219 0.533 . . . . 0.0 110.117 173.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.511 HG11 HG23 ' A' ' 75' ' ' THR . 99.8 t -66.24 -51.08 63.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.203 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 93' ' ' GLU . 85.6 mt -54.77 -44.53 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.109 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.5 -42.03 86.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.969 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -74.26 -33.92 63.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.538 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 95.3 mt -59.62 -49.63 76.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.0 110.215 175.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.89 -37.5 84.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.639 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 111' ' ' ASP . 21.3 tp -62.08 -44.68 96.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.662 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.99 -44.74 96.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.002 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 45.2 mt-10 -59.14 -47.86 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 111.371 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -89.93 -51.65 5.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.18 -172.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -92.22 -35.95 13.53 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.61 174.63 18.91 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.011 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -78.04 -29.92 49.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.129 0.49 . . . . 0.0 109.916 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 7.5 p-10 -63.05 -38.2 90.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.203 177.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.87 -25.4 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.301 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.54 ' HA ' HD23 ' A' ' 102' ' ' LEU . 25.3 t70 -60.42 -47.6 85.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.712 176.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.661 HG23 HD11 ' A' ' 85' ' ' LEU . 43.9 mt -70.72 -35.23 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.704 174.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 7.4 t70 -66.1 -30.97 71.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.571 -174.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.2 p -55.01 -33.28 62.47 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.701 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.463 ' HD2' HD11 ' A' ' 86' ' ' LEU . 80.3 m-85 -68.2 -55.14 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.136 0.493 . . . . 0.0 110.046 178.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 56' ' ' ARG . 48.3 mm -63.4 -33.9 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.093 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.88 -5.95 50.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.211 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 27.5 t -95.52 104.68 16.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.877 0.37 . . . . 0.0 110.452 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 30.7 Cg_endo -63.63 -48.9 4.91 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.874 2.382 . . . . 0.0 112.812 -175.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.3 -54.6 30.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.508 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -69.27 -22.41 63.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.85 -173.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . 1.001 HG21 ' HD3' ' A' ' 52' ' ' ARG . 68.8 m -80.29 -40.29 27.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.209 172.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -66.43 -35.89 81.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.976 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.8 p -66.39 -29.57 69.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.562 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 131' ' ' PRO . 1.2 t80 -91.87 -38.76 12.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.928 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 146.23 118.46 1.13 Allowed Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.712 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.5 -29.29 30.58 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -111.4 16.06 21.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.233 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.928 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 60.8 t -119.03 139.94 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.781 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.436 ' CG2' HG13 ' A' ' 17' ' ' VAL . 61.3 t -84.46 115.85 62.36 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.451 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.705 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 6.7 Cg_exo -73.61 93.42 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.742 2.295 . . . . 0.0 111.971 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 2' ' ' PRO . 27.0 p90 -92.92 178.29 5.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.202 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -57.5 130.73 47.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.85 0.357 . . . . 0.0 110.427 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 134' ' ' ARG . 46.1 mtp180 -77.8 46.11 0.55 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.997 0.427 . . . . 0.0 111.586 -175.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.68 26.87 40.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.331 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 63.1 tp -122.82 91.78 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 110.522 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -165.05 112.51 1.0 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.885 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -85.2 107.02 17.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -50.85 -34.64 28.76 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.194 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -122.12 128.63 51.53 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -131.84 175.62 9.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.86 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -66.73 -74.46 0.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.709 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.7 m80 . . . . . 0 C--O 1.248 1.02 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.885 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 1.6 mpt? . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 110.616 -0.142 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 83.6 Cg_endo -77.24 178.83 7.14 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.896 1.731 . . . . 0.0 110.529 170.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 17' ' ' VAL . 21.1 t -67.35 98.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.041 177.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' OE2' ' HD2' ' A' ' 2' ' ' PRO . 12.3 pt-20 -135.63 137.29 41.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.844 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.5 tp -93.16 117.36 29.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -89.52 169.42 11.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.053 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.84 -54.76 42.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.433 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.02 76.69 6.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.975 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -82.83 168.36 17.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.428 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 22.3 p -128.4 177.42 6.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.095 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -61.8 -53.12 60.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -173.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -32.35 62.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' HB3' ' H ' ' A' ' 10' ' ' SER . 36.4 t70 -62.02 -50.72 70.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.972 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 45' ' ' ARG . 54.3 tp -61.37 -44.41 97.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.956 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.27 -35.22 80.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.638 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -64.3 -37.65 88.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.899 0.38 . . . . 0.0 110.291 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.501 HG13 ' CG2' ' A' ' 130' ' ' VAL . 63.3 t -61.24 -52.88 56.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.27 174.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.491 HD13 ' HG2' ' A' ' 41' ' ' GLU . 76.1 mt -60.05 -44.28 94.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.92 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -59.97 -35.9 75.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.166 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.24 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.185 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.43 -43.82 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.568 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -74.39 -59.93 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.665 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 66.57 11.59 8.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.934 0.873 . . . . 0.0 109.352 -170.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -89.96 97.03 10.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.859 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.19 -32.78 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.922 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 26' ' ' LEU . 4.9 mp -81.45 90.5 6.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.17 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.59 -24.13 29.13 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.217 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 57.8 61.43 2.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.478 0.656 . . . . 0.0 110.084 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.72 95.86 0.16 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.117 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -178.53 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.695 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -139.66 152.49 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.76 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -70.34 -165.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.34 176.833 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 32' ' ' MET . . . 76.58 -42.36 0.43 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.702 0.801 . . . . 0.0 110.599 -175.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -67.39 -42.83 82.71 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 170.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -95.99 113.58 25.21 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.396 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -138.22 10.95 2.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.794 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.489 HD21 ' CB ' ' A' ' 61' ' ' SER . 66.7 mt -122.3 10.72 9.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -177.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 p -57.69 -27.11 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.711 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.5 m -60.39 -48.56 81.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.187 175.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -67.5 -37.74 83.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' A' ' 18' ' ' ILE . 1.1 tm-20 -59.69 -45.02 93.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.965 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -65.6 -30.4 71.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.847 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.0 mt -66.72 -44.75 80.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.517 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -76.07 -34.38 59.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.567 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.55 ' HA ' HD21 ' A' ' 14' ' ' LEU . 39.1 ttp180 -66.28 -35.72 81.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.323 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -76.25 -31.89 58.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.949 174.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.98 30.81 16.38 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.437 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 19.6 ptpt -96.76 -5.09 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.135 0.493 . . . . 0.0 110.88 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 pt -131.7 165.54 31.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.9 p -95.47 172.38 8.11 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 55' ' ' VAL . 96.5 t -68.11 -30.83 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.693 ' HG3' HG21 ' A' ' 122' ' ' THR . 12.1 ttm180 -54.07 -51.37 64.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.143 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -66.69 -40.7 88.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.48 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' HZ ' HG23 ' A' ' 18' ' ' ILE . 83.6 t80 -58.64 -50.14 74.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.059 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 51' ' ' VAL . 63.8 t -60.57 -41.31 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.82 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.561 ' HB2' HG21 ' A' ' 116' ' ' ILE . 2.7 ttt180 -59.69 -49.72 76.64 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.216 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.84 82.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.015 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 54' ' ' PHE . 93.7 t -66.72 -49.63 72.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.255 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.87 -29.86 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -93.11 8.91 38.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.489 ' CB ' HD21 ' A' ' 37' ' ' LEU . 74.1 m -115.61 85.2 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -170.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 69.48 -64.2 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 156.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.1 mt -42.4 113.09 0.41 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -164.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 61.69 23.18 13.55 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.461 172.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.701 ' HG2' ' HB3' ' A' ' 69' ' ' LEU . 78.2 tttt 63.65 79.49 0.26 Allowed 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 123.733 0.645 . . . . 0.0 109.869 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 57.21 43.05 24.46 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.56 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.7 tttp 73.91 -48.53 0.67 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.211 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -172.19 83.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 110.879 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.701 ' HB3' ' HG2' ' A' ' 65' ' ' LYS . 45.6 tp -91.74 129.47 37.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.993 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.575 ' CD2' ' HG ' ' A' ' 69' ' ' LEU . 90.3 m-85 68.7 -175.69 0.2 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.775 0.672 . . . . 0.0 111.238 -176.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.75 -24.37 5.78 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.367 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -166.61 -60.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.886 0.374 . . . . 0.0 110.66 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.427 ' HD2' ' OG1' ' A' ' 75' ' ' THR . 0.2 OUTLIER -149.9 144.71 26.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.128 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.12 -25.87 66.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.216 0.531 . . . . 0.0 110.483 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.427 ' OG1' ' HD2' ' A' ' 73' ' ' PHE . 21.5 p -62.72 -34.76 77.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.71 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -65.93 -32.88 74.63 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.96 0.409 . . . . 0.0 110.534 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.4 -43.4 97.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.632 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.449 HD12 HG13 ' A' ' 96' ' ' VAL . 59.8 mt -64.38 -35.5 74.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.217 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.25 -50.24 74.44 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.27 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.24 -45.7 90.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.497 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.448 ' OD1' HD12 ' A' ' 85' ' ' LEU . 54.5 t-20 -57.18 -59.83 4.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.414 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.485 ' HD1' ' O ' ' A' ' 88' ' ' ARG . 3.2 t80 -57.14 -48.18 79.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.184 -176.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 88' ' ' ARG . 36.9 ttmt -71.39 -30.83 66.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.071 -171.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -91.49 -29.21 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.672 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.486 HD11 HG23 ' A' ' 112' ' ' ILE . 39.5 mt -90.35 -28.4 18.74 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.825 -176.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.4 mt -110.96 -19.69 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.48 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.02 15.1 81.62 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 120.478 -0.867 . . . . 0.0 111.398 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 8.2 ttt180 -128.09 150.87 49.77 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -177.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . . . -101.45 148.74 35.63 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.749 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.79 117.91 3.06 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.834 2.356 . . . . 0.0 111.701 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -105.24 -34.49 7.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.958 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -127.39 151.31 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.13 -35.68 81.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.521 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.3 t -63.38 -30.25 71.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.778 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 46.3 mt-10 -61.74 -46.61 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.301 0.572 . . . . 0.0 109.546 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.449 HG13 HD12 ' A' ' 78' ' ' ILE . 58.7 t -65.15 -50.37 74.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.812 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.5 -44.14 92.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -61.24 -41.3 96.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.941 0.401 . . . . 0.0 110.972 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 69.1 m-70 -76.11 -28.98 57.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.519 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 91.9 mt -60.58 -40.38 91.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.247 0.546 . . . . 0.0 109.753 172.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.33 -48.84 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.424 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 111' ' ' ASP . 44.5 tp -59.35 -44.98 92.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.977 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -58.14 -55.75 30.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.152 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -76.16 -18.57 59.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -171.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -93.9 -45.46 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -105.09 -35.85 7.48 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.402 -176.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.44 164.42 9.94 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.077 -1.059 . . . . 0.0 113.109 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -58.05 -48.82 78.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -74.94 -24.59 58.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.319 -174.535 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.36 82.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.118 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.468 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 31.3 t70 -69.0 -54.11 16.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.067 175.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.486 HG23 HD11 ' A' ' 85' ' ' LEU . 78.2 mt -52.26 -32.87 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.52 0.676 . . . . 0.0 110.776 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 18.0 t70 -63.26 -38.87 92.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.501 -177.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.2 p -63.22 -27.71 69.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.654 0.264 . . . . 0.0 111.699 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -68.5 -48.17 65.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.294 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.561 HG21 ' HB2' ' A' ' 56' ' ' ARG . 51.1 mm -74.61 -25.34 19.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.613 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -75.54 -19.48 59.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.502 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.9 p -61.81 108.1 1.43 Allowed Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 121.155 0.502 . . . . 0.0 111.197 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.74 -55.23 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.218 1.945 . . . . 0.0 112.685 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.3 -54.65 42.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.77 -176.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -65.38 -51.75 58.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.137 -175.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.693 HG21 ' HG3' ' A' ' 52' ' ' ARG . 88.4 m -61.45 -49.9 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -28.39 67.11 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.272 -174.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.9 t -84.69 -37.06 21.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.625 0.25 . . . . 0.0 110.945 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -75.13 -38.47 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.454 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.783 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 153.0 120.88 0.84 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -91.38 -26.48 18.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.625 0.726 . . . . 0.0 109.232 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -111.45 6.83 20.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.783 173.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.783 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 60.2 t -103.27 140.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.645 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.501 ' CG2' HG13 ' A' ' 17' ' ' VAL . 94.4 t -81.91 130.58 60.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.457 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.87 93.88 0.08 OUTLIER 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.916 2.411 . . . . 0.0 112.376 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -101.37 154.33 18.89 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.551 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.4 112.71 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -72.43 -72.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.315 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 70.29 -92.46 0.41 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.198 -0.525 . . . . 0.0 113.006 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.2 tp -115.42 128.89 56.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.768 0.318 . . . . 0.0 110.332 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -71.44 104.8 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.868 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -114.2 100.37 8.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -145.59 169.78 17.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -173.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.75 130.6 54.44 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -44.53 119.56 1.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.945 0.778 . . . . 0.0 111.713 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -96.73 178.39 5.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.08 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.776 177.386 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -80.16 176.04 9.71 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.654 2.236 . . . . 0.0 111.818 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.44 121.52 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -139.93 141.67 36.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 -173.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 9' ' ' TRP . 64.8 tp -98.84 113.7 25.94 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -123.08 -168.67 1.8 Allowed 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.523 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 9' ' ' TRP . . . -67.13 -6.8 19.13 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.59 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -85.25 33.48 0.55 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.57 ' CD1' HD11 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -49.37 112.07 0.58 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.345 -178.377 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.418 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 43.4 t -144.76 173.01 12.21 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.425 -176.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -57.13 -50.29 73.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.44 -50.59 70.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.988 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.6 t70 -56.07 -59.81 4.38 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.804 -176.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD21 ' HG3' ' A' ' 45' ' ' ARG . 40.5 tp -60.41 -49.31 78.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.831 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -63.07 -40.41 97.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.737 -174.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.1 m -59.23 -40.42 85.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.952 0.406 . . . . 0.0 110.427 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 5' ' ' LEU . 96.4 t -64.97 -52.11 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.738 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.99 -44.62 98.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.048 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.519 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 20.4 mtp180 -65.64 -35.85 81.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.65 -29.44 70.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.118 0.485 . . . . 0.0 110.799 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 17' ' ' VAL . 87.1 t -73.44 -37.99 52.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.914 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -102.2 -87.84 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.207 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' HB3' ' HB2' ' A' ' 26' ' ' LEU . 85.4 mtt180 -135.81 107.56 7.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.519 ' HA ' ' HB3' ' A' ' 19' ' ' ARG . 33.1 tt0 -65.71 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.521 -172.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 t -109.04 48.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.753 0.787 . . . . 0.0 109.696 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 3.1 mm? -122.5 117.12 25.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.799 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.4 172.47 30.36 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.408 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -138.5 142.3 39.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.19 -65.14 0.73 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.06 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -92.68 70.2 4.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.882 0.372 . . . . 0.0 110.415 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.18 -49.02 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.657 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 66.9 mtm 63.44 -75.97 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.285 0.634 . . . . 0.0 111.619 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.95 -40.84 0.44 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.501 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.0 p 49.42 70.7 0.45 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.648 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.73 103.96 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.896 177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.76 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -105.68 90.08 3.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.578 -176.638 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD12 HG22 ' A' ' 58' ' ' VAL . 91.0 mt 53.07 53.5 11.88 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.408 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.23 -25.89 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.19 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.1 p -64.23 -48.74 74.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.236 0.541 . . . . 0.0 110.083 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.69 -40.34 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.707 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.84 -33.8 76.87 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.506 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.1 m -62.44 -44.32 96.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 0.0 110.273 174.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HB3' HG23 ' A' ' 49' ' ' ILE . 95.9 mt -57.16 -33.25 67.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 tp -84.12 -49.02 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.982 0.42 . . . . 0.0 111.405 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' HG3' HD21 ' A' ' 14' ' ' LEU . 48.9 ttm-85 -70.65 -22.99 62.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.679 -173.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.5 m-80 -94.62 -0.04 54.77 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.61 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.93 54.12 4.63 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 114.197 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -116.44 -48.72 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.199 0.499 . . . . 0.0 112.048 175.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 43' ' ' LEU . 49.1 pt -103.0 172.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.233 0.539 . . . . 0.0 112.221 -172.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.651 ' HB ' ' OD1' ' A' ' 127' ' ' ASP . 30.4 p -93.9 179.43 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.815 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.569 ' HB ' ' HA ' ' A' ' 128' ' ' TRP . 80.2 t -77.55 -38.75 26.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.864 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HD3' HG21 ' A' ' 122' ' ' THR . 15.3 ptt180 -62.72 -30.91 71.77 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.151 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.24 -41.96 80.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.241 0.543 . . . . 0.0 109.792 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -61.92 -40.33 95.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.749 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.7 -44.27 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.506 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.619 ' HD2' ' OD1' ' A' ' 113' ' ' ASP . 16.1 ttp180 -58.28 -42.8 87.34 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.356 0.41 . . . . 0.0 111.131 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.52 -50.63 73.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.954 0.407 . . . . 0.0 110.813 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.447 HG22 HD12 ' A' ' 37' ' ' LEU . 12.1 t -73.96 -17.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.931 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.59 -11.05 49.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.185 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -114.57 10.7 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.16 0.505 . . . . 0.0 110.812 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.8 p -160.26 171.66 18.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.35 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 64' ' ' TYR . 35.3 mm-40 65.24 176.74 0.2 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.585 0.553 . . . . 0.0 111.316 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.811 ' HB3' ' HE1' ' A' ' 68' ' ' PHE . 5.0 tt 72.18 -19.43 0.28 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.493 0.717 . . . . 0.0 111.036 177.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.484 ' H ' ' C ' ' A' ' 62' ' ' GLU . 37.8 m-85 81.34 -177.15 0.06 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.349 1.06 . . . . 0.0 111.693 174.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HE2' ' HB2' ' A' ' 69' ' ' LEU . 12.2 mmmm 71.89 -13.05 0.61 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.547 0.739 . . . . 0.0 111.662 -176.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 64' ' ' TYR . 48.4 mt-10 66.94 -71.82 0.09 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.668 0.787 . . . . 0.0 111.619 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.6 ' HD3' ' HE1' ' A' ' 103' ' ' TYR . 96.1 mttt -86.87 12.65 10.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.811 ' HE1' ' HB3' ' A' ' 63' ' ' LEU . 95.3 m-85 56.42 44.58 24.18 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.229 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.515 ' HB2' ' HE2' ' A' ' 65' ' ' LYS . 2.7 mm? -61.11 131.03 49.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.256 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.854 ' H ' HG22 ' A' ' 77' ' ' VAL . 91.3 t80 -85.31 -31.09 23.22 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.165 0.507 . . . . 0.0 109.656 172.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 155.41 -147.39 16.22 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.802 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.68 -42.81 89.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.483 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 77' ' ' VAL . 82.9 m-85 -80.21 99.36 7.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.944 -177.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -65.67 -25.91 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.126 0.489 . . . . 0.0 110.849 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -60.41 -44.18 95.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.065 176.617 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -73.11 -21.21 60.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.854 HG22 ' H ' ' A' ' 70' ' ' TYR . 33.0 t -67.05 -29.82 47.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.451 HG21 ' HA ' ' A' ' 96' ' ' VAL . 51.1 mm -66.24 -54.04 30.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.831 175.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.71 -41.08 63.61 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.274 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 70' ' ' TYR . 4.1 tt -52.48 -59.43 4.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.129 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.894 ' HA ' ' HB3' ' A' ' 84' ' ' HIS . 56.6 m-80 -81.17 -20.91 40.23 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CZ ' ' HA ' ' A' ' 90' ' ' PRO . 1.9 t80 -63.88 -41.61 97.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . 36.3 ttmt -83.11 -14.77 52.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.225 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.894 ' HB3' ' HA ' ' A' ' 81' ' ' ASN . 11.5 t-160 -84.36 -44.09 14.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.819 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.9 mt -104.28 -16.6 15.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 94.1 mt -117.81 -6.26 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 111.157 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.79 32.16 73.74 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.479 0.552 . . . . 0.0 114.479 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.772 HH21 ' HB2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -164.21 168.22 19.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.335 0.568 . . . . 0.0 111.184 177.793 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.91 156.96 82.2 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.27 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 32.2 Cg_exo -59.02 117.43 4.16 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.932 2.421 . . . . 0.0 111.939 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.772 ' HB2' HH21 ' A' ' 88' ' ' ARG . 15.1 t80 -86.53 -29.25 22.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.284 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.436 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 18.8 t70 -117.94 138.93 51.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.095 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -76.35 -29.16 57.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.172 -176.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 t -70.52 -27.51 64.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.436 ' HG2' ' HB3' ' A' ' 92' ' ' ASP . 33.3 mm-40 -56.25 -45.29 80.11 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.834 0.349 . . . . 0.0 110.065 172.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.451 ' HA ' HG21 ' A' ' 78' ' ' ILE . 49.0 t -59.26 -49.15 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.036 177.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.2 mt -58.77 -50.15 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.207 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -57.61 -45.35 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.474 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -73.88 -27.28 60.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.285 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 49.4 mt -68.26 -47.55 67.44 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 171.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.73 -44.88 93.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.793 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.0 tp -64.45 -49.13 72.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.542 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.6 ' HE1' ' HD3' ' A' ' 67' ' ' LYS . 24.4 t80 -56.74 -45.14 82.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.629 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.71 -52.61 56.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.749 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -80.23 -58.88 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -94.81 -9.68 33.74 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.791 -171.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.4 164.78 29.59 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.723 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.464 ' CE2' ' HD2' ' A' ' 68' ' ' PHE . 54.6 t80 -76.37 -28.68 56.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.019 0.438 . . . . 0.0 110.362 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -58.03 -44.78 87.53 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.968 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.32 -35.54 73.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.632 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.53 -45.41 91.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.155 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 40.3 mm -57.21 -43.76 82.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.619 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 78.3 m-20 -59.46 -32.4 70.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -62.08 -43.08 99.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.673 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -61.68 -48.08 82.41 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.257 0.551 . . . . 0.0 110.646 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.552 HG13 ' HB2' ' A' ' 56' ' ' ARG . 42.1 mm -71.64 -25.19 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.391 -174.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -79.62 -30.59 41.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.228 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 55.0 m -55.02 107.35 0.85 Allowed Pre-proline 0 CA--C 1.533 0.304 0 O-C-N 123.455 0.472 . . . . 0.0 112.067 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 30.8 Cg_endo -65.33 -43.25 11.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.058 2.506 . . . . 0.0 113.024 -175.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -51.98 -56.28 15.22 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 111.15 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -75.15 -38.02 61.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.437 -173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.552 HG21 ' HD3' ' A' ' 52' ' ' ARG . 88.3 m -66.43 -42.37 87.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.836 0.35 . . . . 0.0 111.194 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.89 -29.25 60.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.653 0.263 . . . . 0.0 111.392 -176.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.6 p -78.94 -37.74 38.93 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.262 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -84.71 -39.75 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.044 -0.263 . . . . 0.0 110.958 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.4 126.03 3.43 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.192 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.651 ' OD1' ' HB ' ' A' ' 50' ' ' THR . 15.6 t0 -64.05 -45.04 90.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.556 0.693 . . . . 0.0 110.353 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.569 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 79.8 m95 -94.19 17.59 12.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.89 -171.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.43 134.73 42.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.802 0.335 . . . . 0.0 110.852 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 77.5 t -77.33 125.67 86.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.937 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.633 ' HB3' ' HB2' ' A' ' 136' ' ' LEU . 73.2 Cg_exo -43.69 125.13 4.8 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 124.136 3.224 . . . . 0.0 114.843 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.495 ' HD1' ' O ' ' A' ' 133' ' ' TYR . 3.3 p90 -122.93 166.93 14.25 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 169.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.495 ' O ' ' HD1' ' A' ' 132' ' ' TYR . 41.7 t80 -67.12 137.02 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 77.76 17.36 1.37 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.84 0.856 . . . . 0.0 109.946 -172.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -140.18 -66.68 0.04 OUTLIER Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.138 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.633 ' HB2' ' HB3' ' A' ' 131' ' ' PRO . 90.7 mt -144.33 -43.05 0.25 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 68.33 151.38 0.08 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.579 0.752 . . . . 0.0 111.874 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 131' ' ' PRO . 8.0 t-80 -164.71 21.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -65.82 160.99 21.92 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.322 0.582 . . . . 0.0 111.991 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -94.42 120.72 35.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.015 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -101.46 10.72 40.14 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.989 0.423 . . . . 0.0 110.357 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -113.99 112.97 24.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.005 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.9 p80 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.369 178.502 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.14 134.28 60.92 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.396 2.064 . . . . 0.0 111.59 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.71 117.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.392 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -140.46 158.85 43.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 tp -93.95 103.03 15.14 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -92.02 165.19 13.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.622 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.84 51.58 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.963 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.1 t30 173.72 74.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -121.08 156.62 31.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.702 -174.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -122.61 -178.79 4.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.158 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.98 -38.87 80.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 111.008 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.06 -44.66 95.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.371 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -64.36 -45.34 88.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.293 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.644 ' O ' HG12 ' A' ' 18' ' ' ILE . 36.0 tp -63.87 -44.57 92.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.669 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.21 -36.97 76.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.074 0.464 . . . . 0.0 110.365 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.5 m -60.38 -39.9 88.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.095 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.8 t -68.25 -42.52 84.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.259 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 14' ' ' LEU . 40.5 mm -54.4 -59.03 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.228 0.537 . . . . 0.0 110.519 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -69.39 -23.05 63.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.977 -175.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.61 67.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.944 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.36 -40.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.534 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -76.0 -65.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.044 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 23' ' ' ARG . 20.7 mtp180 -110.75 65.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.48 -170.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -85.53 -64.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.313 0.578 . . . . 0.0 109.931 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 p -130.24 143.68 40.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.927 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mp 58.96 40.03 22.93 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.916 0.389 . . . . 0.0 110.548 -175.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.07 44.67 2.4 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.436 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -95.03 98.21 10.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.736 ' HB3' ' HA ' ' A' ' 32' ' ' MET . 5.5 m-20 -51.81 -56.56 13.21 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.092 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 66.23 -76.21 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 O-C-N 124.091 0.869 . . . . 0.0 110.844 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.34 -1.03 7.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.322 0.582 . . . . 0.0 109.803 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.736 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 66.7 mtt 72.97 110.98 0.07 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.049 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.78 87.05 7.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 m -80.67 -26.66 37.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.898 -172.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -86.7 93.49 9.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.233 0.54 . . . . 0.0 111.32 -175.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -82.58 143.04 31.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.775 172.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 61' ' ' SER . 6.9 mp -76.44 87.21 3.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.26 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.45 -32.99 56.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.815 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.554 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 18.1 p -58.33 -57.57 12.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.401 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.35 98.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.459 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -59.49 -53.77 54.34 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.939 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 p -61.69 -38.77 89.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 111.324 -176.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 39' ' ' SER . 98.8 mt -63.98 -35.95 82.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.076 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.1 tp -82.92 -34.61 26.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.195 0.521 . . . . 0.0 110.437 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG3' ' CD2' ' A' ' 14' ' ' LEU . 34.9 ttt180 -68.58 -23.23 64.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.588 -175.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -98.57 -8.25 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.069 0.461 . . . . 0.0 110.043 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.17 33.74 28.28 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.915 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD3' HD22 ' A' ' 43' ' ' LEU . 58.1 tttp -87.61 -39.75 14.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.912 0.387 . . . . 0.0 110.471 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.7 pt -111.46 176.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.267 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -177.88 3.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.477 HG12 HG23 ' A' ' 55' ' ' VAL . 42.6 t -69.33 -26.83 32.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.76 -51.85 53.2 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.057 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -68.88 -41.02 78.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.653 0.263 . . . . 0.0 110.612 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.96 -47.74 85.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.236 -176.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.477 HG23 HG12 ' A' ' 51' ' ' VAL . 88.1 t -60.89 -47.16 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.481 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HG3' HG13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.52 -42.52 92.42 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.101 0.477 . . . . 0.0 110.345 178.714 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -55.17 33.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.081 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.41 -36.63 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.07 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.72 71.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.587 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 49.3 mttp -94.47 -26.95 16.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.433 177.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.463 ' HA ' HD11 ' A' ' 37' ' ' LEU . 34.2 m 51.36 -112.03 0.6 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -164.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -173.46 104.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.149 0.5 . . . . 0.0 110.247 168.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 63' ' ' LEU . 24.8 tp 57.41 25.4 11.29 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.29 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.18 32.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.651 0.738 . . . . 0.0 109.866 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 57.0 pttt -78.54 9.62 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.531 -175.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.1 -25.35 66.91 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -118.19 -60.79 1.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -172.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -71.18 -33.53 70.06 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -171.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 65' ' ' LYS . 35.1 tp -91.1 -18.79 23.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.098 0.475 . . . . 0.0 110.101 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -84.87 76.84 10.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.332 0.587 . . . . 0.0 109.699 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.61 -169.22 22.87 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 55.67 -154.79 0.3 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.032 0.444 . . . . 0.0 110.625 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -132.46 159.54 39.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.571 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 78' ' ' ILE . 15.3 mm100 -57.58 -37.42 73.13 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.333 0.396 . . . . 0.0 111.935 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 p -62.18 -39.39 92.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.971 0.415 . . . . 0.0 110.84 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -37.17 86.3 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.576 177.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.435 ' HA ' HD12 ' A' ' 80' ' ' LEU . 54.0 t -68.19 -38.67 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.536 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 74' ' ' GLN . 76.3 mt -60.08 -39.44 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.278 0.561 . . . . 0.0 110.274 176.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -63.02 -40.09 96.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.305 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 77' ' ' VAL . 92.6 mt -66.52 -59.27 3.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.865 -178.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.462 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 31.3 p30 -64.32 -38.38 90.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -171.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -80.82 -24.85 38.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.459 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 34.0 ttmt -75.23 -15.11 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 173.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -95.02 -25.28 16.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.928 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.531 HD11 HG23 ' A' ' 112' ' ' ILE . 95.1 mt -94.82 -50.75 5.0 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.914 0.388 . . . . 0.0 111.796 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.1 mt -97.83 -18.09 18.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.16 0.505 . . . . 0.0 110.072 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 83' ' ' LYS . . . 80.37 22.25 63.04 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.371 -175.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' N ' ' HA ' ' A' ' 83' ' ' LYS . 42.4 ttm180 -152.68 145.75 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.554 0.216 . . . . 0.0 110.48 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.43 160.18 81.84 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.476 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.02 149.64 11.32 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.148 2.565 . . . . 0.0 112.374 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -107.03 -39.52 5.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.763 -171.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 96' ' ' VAL . 28.8 t70 -127.55 143.8 51.14 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.875 -174.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.545 ' O ' HG12 ' A' ' 97' ' ' ILE . 40.6 tt0 -63.01 -37.0 85.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.627 -176.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 m -65.91 -38.87 89.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.759 0.314 . . . . 0.0 110.974 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 1.6 pp20? -75.43 -29.36 59.68 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.278 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.596 ' HA ' ' HD2' ' A' ' 99' ' ' HIS . 89.6 t -60.13 -44.6 95.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.937 0.399 . . . . 0.0 109.994 172.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 93' ' ' GLU . 51.6 mm -59.23 -36.99 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.344 177.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' A' ' 95' ' ' GLU . 84.6 t80 -58.96 -41.35 87.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.909 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.596 ' HD2' ' HA ' ' A' ' 96' ' ' VAL . 82.8 m-70 -65.25 -42.64 93.08 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.229 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.98 -42.89 99.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.371 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.25 -46.78 85.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.036 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 111' ' ' ASP . 25.7 tp -66.11 -35.27 80.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.516 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.39 -39.95 95.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.807 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -83.4 -17.98 40.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.351 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -82.82 -58.21 2.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.655 0.264 . . . . 0.0 111.15 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -114.02 -37.06 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.418 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 128.93 -179.4 16.68 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.206 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -71.1 -21.54 62.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.152 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.587 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -58.71 -53.99 52.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.634 175.472 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.05 98.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.596 ' HA ' HD23 ' A' ' 102' ' ' LEU . 38.7 t70 -64.29 -34.31 77.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.956 0.407 . . . . 0.0 110.88 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.531 HG23 HD11 ' A' ' 85' ' ' LEU . 76.8 mt -75.69 -31.2 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.958 0.408 . . . . 0.0 110.642 174.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -69.94 -21.62 63.25 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.471 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.4 p -58.36 -34.76 71.02 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.055 0.455 . . . . 0.0 110.928 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -64.22 -30.46 71.51 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.937 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.508 HG13 ' HG3' ' A' ' 56' ' ' ARG . 45.7 mm -92.2 -22.32 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.376 0.608 . . . . 0.0 110.078 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.501 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 22.7 t70 -75.24 -26.82 59.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.901 -177.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.5 m -84.63 97.41 0.49 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.281 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 17.9 Cg_endo -58.83 -48.45 14.58 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.901 2.401 . . . . 0.0 113.286 -167.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.62 -49.54 76.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.104 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -65.85 -47.29 75.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.456 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.7 m -61.7 -55.2 32.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.438 . . . . 0.0 111.238 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.691 ' HA ' ' HB2' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -64.37 -28.12 69.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.255 -172.865 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.5 m -65.78 -52.2 52.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.524 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 20.7 p90 -128.86 -12.91 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.514 -0.874 . . . . 0.0 113.22 -172.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -122.93 29.28 5.41 Favored Glycine 0 C--O 1.229 -0.166 0 C-N-CA 119.797 -1.192 . . . . 0.0 113.63 -174.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.691 ' HB2' ' HA ' ' A' ' 123' ' ' ASN . 22.9 t70 -101.34 -50.23 3.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.998 0.428 . . . . 0.0 110.289 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -111.27 -18.22 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.026 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 125' ' ' PHE . 25.8 t -104.0 148.38 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.259 -175.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 97.1 t -85.8 122.16 73.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.374 177.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.49 ' HB3' ' HE2' ' A' ' 125' ' ' PHE . 17.4 Cg_exo -66.76 114.72 3.24 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.875 2.384 . . . . 0.0 112.227 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -109.11 160.4 16.1 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.424 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 42.9 p90 -61.71 127.45 31.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.782 0.801 . . . . 0.0 111.827 -174.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -142.05 70.33 1.33 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.322 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.41 -1.45 85.92 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.05 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 62.2 tp -128.73 105.19 8.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.15 169.12 10.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.029 0.442 . . . . 0.0 110.275 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 139' ' ' HIS . 67.0 m170 -103.91 -177.88 3.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 138' ' ' HIS . 35.4 m-70 68.77 55.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.688 0.618 . . . . 0.0 109.63 -174.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -65.43 -24.77 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.836 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -75.42 118.29 18.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -63.41 160.61 15.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.567 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.578 -173.191 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ptp . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.116 0.484 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -93.61 177.51 1.23 Allowed 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.284 2.656 . . . . 0.0 111.488 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.53 99.22 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 128' ' ' TRP . 42.8 tt0 -139.24 138.74 37.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.603 -175.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.7 tp -84.2 124.47 31.21 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -79.08 150.57 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.32 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.83 -50.29 73.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.316 0.579 . . . . 0.0 109.58 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.32 81.14 4.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -87.49 156.15 19.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.43 0.633 . . . . 0.0 111.425 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.516 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 2.9 m -116.93 169.13 9.63 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.076 176.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.34 -47.45 75.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.369 . . . . 0.0 110.664 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.76 -34.24 77.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.516 ' HB3' ' H ' ' A' ' 10' ' ' SER . 38.9 t70 -66.45 -51.6 55.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.978 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.67 -42.15 87.82 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.39 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.59 -46.51 83.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.7 m -56.85 -43.64 81.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 21' ' ' VAL . 62.9 t -64.38 -58.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.241 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.14 -35.12 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.964 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -68.14 -38.16 81.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.639 0.257 . . . . 0.0 110.7 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.62 76.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.191 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 17' ' ' VAL . 86.3 t -65.66 -42.43 92.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.054 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -79.25 -64.75 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.931 0.396 . . . . 0.0 111.262 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HB2' HD23 ' A' ' 26' ' ' LEU . 8.5 mmm180 -144.96 101.5 3.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.449 -173.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -69.52 110.22 4.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 171.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.0 t 70.36 95.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.183 -172.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' A' ' 23' ' ' ARG . 2.1 pp -121.17 7.96 10.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.055 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.42 149.68 12.28 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.982 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -126.2 -13.02 6.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.715 0.293 . . . . 0.0 110.742 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -86.88 -23.28 25.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.349 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -136.33 -52.91 0.73 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.673 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t 69.34 114.38 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 O-C-N 123.598 0.561 . . . . 0.0 111.532 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mmt -92.38 130.76 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.21 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.37 -69.95 0.54 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.547 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.6 t 60.97 90.29 0.07 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.294 0.569 . . . . 0.0 110.216 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -74.88 105.33 5.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.262 -177.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -123.19 -77.16 0.59 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.042 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -100.55 46.57 0.95 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.205 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.21 -28.25 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.104 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.653 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 4.4 p -63.65 -51.56 64.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.561 176.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.38 95.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.713 -176.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -26.93 65.29 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.989 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.8 m -76.74 -41.0 46.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.28 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 39' ' ' SER . 86.1 mt -62.11 -39.13 91.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.693 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.28 -41.86 93.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.223 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.49 -41.91 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -79.14 -3.48 45.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.24 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.4 27.04 73.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.332 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' HD22 ' A' ' 43' ' ' LEU . 23.6 ttmm -87.83 -29.95 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.166 0.507 . . . . 0.0 110.212 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.9 pt -124.12 158.36 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.532 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.625 ' HB ' ' OD2' ' A' ' 127' ' ' ASP . 15.0 p -91.19 179.19 5.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.646 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.596 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 81.1 t -72.69 -33.2 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.686 ' HG3' HD12 ' A' ' 116' ' ' ILE . 3.4 tpp180 -64.86 -35.65 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' A' ' 56' ' ' ARG . 5.2 mm-40 -66.24 -40.67 90.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.809 177.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.0 t80 -59.92 -44.32 94.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.054 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 51' ' ' VAL . 90.8 t -62.57 -43.08 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.625 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.628 ' HD3' HG13 ' A' ' 116' ' ' ILE . 10.0 ttp180 -60.45 -42.73 96.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.775 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.98 98.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.382 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 54' ' ' PHE . 83.8 t -68.99 -44.28 81.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.972 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HB1' HD13 ' A' ' 112' ' ' ILE . . . -67.12 -43.69 81.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -174.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.594 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . 18.2 ptpt -92.71 8.36 39.58 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.6 p -84.49 -81.03 0.19 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.97 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.91 101.4 3.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.5 0.667 . . . . 0.0 111.579 -177.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.9 mt -110.63 -29.54 7.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.435 172.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 60.93 -161.2 0.29 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.991 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -93.34 79.02 4.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.986 0.422 . . . . 0.0 110.587 -178.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.482 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 8.6 tp10 -82.94 36.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.602 0.715 . . . . 0.0 109.734 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.667 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 7.4 mtpm? 68.6 -9.96 0.5 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.281 1.033 . . . . 0.0 113.126 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 66' ' ' GLU . 26.5 p90 -85.02 -1.24 56.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.845 0.355 . . . . 0.0 111.335 -176.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.1 tp -113.73 -68.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.575 -175.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.667 ' CE1' ' HA ' ' A' ' 67' ' ' LYS . 32.0 p90 -63.83 -33.28 75.33 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.632 0.253 . . . . 0.0 111.534 -174.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.5 54.74 0.54 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.673 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.435 HD21 ' HG2' ' A' ' 76' ' ' ARG . 49.1 t30 -165.06 131.85 2.91 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 -177.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -56.86 139.29 51.86 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.591 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -59.55 -29.87 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.957 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 p -60.59 -37.83 82.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 14.3 ttm180 -83.84 -23.72 31.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.691 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.56 -45.45 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' A' ' 99' ' ' HIS . 58.4 mt -63.61 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.25 174.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.27 -43.5 78.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.674 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 96.2 mt -65.39 -43.01 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.666 ' HB3' ' HE2' ' A' ' 115' ' ' TYR . 97.4 m-20 -59.05 -54.62 45.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.882 0.372 . . . . 0.0 110.659 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.85 -42.73 85.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.365 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 88' ' ' ARG . 43.6 tttm -77.95 -32.24 51.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.941 -171.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.66 -34.1 12.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.8 mt -91.16 -34.47 15.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.64 0.257 . . . . 0.0 111.677 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.1 mt -108.73 -6.66 15.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.689 0.281 . . . . 0.0 110.94 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 133' ' ' TYR . . . 60.06 50.1 71.33 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.661 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 13.6 ptp180 -167.19 174.79 7.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.748 0.309 . . . . 0.0 110.762 -176.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.36 159.05 30.57 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.77 132.56 46.98 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.397 2.065 . . . . 0.0 111.554 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -68.56 -48.03 65.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.108 0.48 . . . . 0.0 110.816 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 95' ' ' GLU . 10.5 t70 -132.68 154.72 49.87 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' O ' HG12 ' A' ' 97' ' ' ILE . 28.8 tt0 -75.69 -25.27 56.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.821 0.343 . . . . 0.0 110.119 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.7 m -63.61 -31.14 72.22 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 13.1 mm-40 -58.2 -50.46 73.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.987 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.568 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 61.9 t -56.21 -44.28 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.384 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.488 ' HA ' HD12 ' A' ' 100' ' ' LEU . 48.2 mm -58.42 -46.51 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -62.52 -42.79 99.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.493 ' HB2' HD13 ' A' ' 78' ' ' ILE . 83.5 m-70 -66.62 -27.7 67.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.12 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 96.1 mt -61.25 -48.79 79.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.189 0.518 . . . . 0.0 109.646 173.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.56 -40.25 92.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.496 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.519 HD21 ' OG ' ' A' ' 114' ' ' SER . 40.7 tp -59.22 -43.97 92.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.5 -41.79 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.754 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -70.89 -35.82 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.412 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -80.33 -57.98 3.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -100.21 -36.52 9.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.883 0.373 . . . . 0.0 111.946 -169.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.29 175.21 14.72 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.307 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -73.99 -34.97 64.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.142 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.594 ' HB2' ' HB2' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -74.71 -26.17 59.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.053 0.454 . . . . 0.0 110.004 -177.296 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.3 -34.73 36.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.594 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -58.38 -42.06 86.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.364 0.602 . . . . 0.0 109.501 175.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.525 HD13 ' HB1' ' A' ' 59' ' ' ALA . 86.9 mt -66.37 -40.27 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.871 175.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.626 ' OD2' ' HD2' ' A' ' 56' ' ' ARG . 10.9 t70 -61.57 -32.35 72.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.284 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.519 ' OG ' HD21 ' A' ' 102' ' ' LEU . 12.1 m -61.31 -30.0 70.22 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.507 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.666 ' HE2' ' HB3' ' A' ' 81' ' ' ASN . 11.2 m-85 -69.12 -32.54 72.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 109.81 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.686 HD12 ' HG3' ' A' ' 52' ' ' ARG . 17.1 mm -82.56 -27.96 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.52 -176.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.438 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 28.3 t70 -74.87 -16.35 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.617 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -77.15 105.42 2.47 Favored Pre-proline 0 C--O 1.24 0.58 0 CA-C-O 121.345 0.593 . . . . 0.0 110.547 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 43.2 Cg_endo -69.01 -55.55 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.82 2.347 . . . . 0.0 113.546 -170.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.45 -40.01 92.93 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.976 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -62.52 -38.69 90.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.458 HG23 ' HE ' ' A' ' 52' ' ' ARG . 96.6 m -72.65 -41.84 65.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.865 0.365 . . . . 0.0 110.941 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.81 -52.64 23.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.056 -175.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.8 t -69.84 -17.32 63.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.597 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.808 ' HZ ' ' H ' ' A' ' 132' ' ' TYR . 47.4 t80 -89.49 -31.72 17.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.028 0.442 . . . . 0.0 110.586 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 100.48 109.18 3.1 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -175.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.625 ' OD2' ' HB ' ' A' ' 50' ' ' THR . 21.0 t70 -59.93 -37.38 79.34 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.483 ' HA ' HG21 ' A' ' 51' ' ' VAL . 48.2 m95 -79.03 -4.91 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.439 -171.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.02 123.28 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.888 0.375 . . . . 0.0 110.538 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.478 HG13 ' HD2' ' A' ' 131' ' ' PRO . 88.0 t -69.95 136.41 87.39 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.478 ' HD2' HG13 ' A' ' 130' ' ' VAL . 84.3 Cg_exo -20.3 95.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 1 C-N-CA 125.631 4.22 . . . . 0.0 114.794 -174.642 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.808 ' H ' ' HZ ' ' A' ' 125' ' ' PHE . 26.2 t80 -93.18 130.32 38.9 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.428 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.59 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 60.7 m-85 -78.7 98.89 6.39 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.419 0.628 . . . . 0.0 111.671 -176.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -128.94 85.82 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.62 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.36 -133.14 2.45 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.944 -175.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 62.8 tp -94.93 111.83 23.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.786 0.326 . . . . 0.0 111.353 -176.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.73 -77.43 0.32 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.073 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 13.3 t60 54.0 73.57 0.38 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.645 0.59 . . . . 0.0 109.99 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -67.61 179.84 1.26 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.287 -172.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 41.4 m80 77.25 -49.51 0.53 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.189 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -108.02 -39.38 5.53 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.142 -0.223 . . . . 0.0 111.562 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -115.01 142.76 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.829 0.347 . . . . 0.0 111.309 -175.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--O 1.247 0.962 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.259 170.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.535 ' SD ' ' HD2' ' A' ' 2' ' ' PRO . 16.0 tpt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.535 ' HD2' ' SD ' ' A' ' 1' ' ' MET . 14.8 Cg_endo -57.76 125.08 17.59 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.797 2.331 . . . . 0.0 112.185 177.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.534 HG12 HG22 ' A' ' 17' ' ' VAL . 38.7 t -81.2 123.53 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.667 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -100.05 158.38 15.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.116 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 tp -114.31 100.67 8.51 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HG2' ' H ' ' A' ' 6' ' ' ARG . 6.2 ptp85 -84.95 157.54 20.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.972 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.35 -33.28 75.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -104.34 87.46 2.74 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 172.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -103.54 164.29 11.76 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.366 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -102.38 155.11 18.46 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 170.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 32.8 tt0 -58.27 -45.07 88.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.539 0.209 . . . . 0.0 110.886 -175.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -59.94 -46.83 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.164 0.507 . . . . 0.0 110.599 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.92 -38.27 90.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.298 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.572 HD21 ' HA ' ' A' ' 45' ' ' ARG . 40.3 tp -60.93 -47.36 86.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.89 176.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 43.4 mt-10 -66.1 -28.17 68.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.444 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.7 m -62.25 -38.88 90.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.045 0.45 . . . . 0.0 109.817 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.534 HG22 HG12 ' A' ' 3' ' ' VAL . 58.9 t -65.64 -51.32 64.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.307 176.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.99 -46.79 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.074 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 58.9 ttp180 -68.66 -23.77 64.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.223 -177.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.41 66.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.252 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.03 -48.32 25.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 1.7 p90 -157.39 -170.18 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.707 ' HG2' HH11 ' A' ' 23' ' ' ARG . 3.9 tpp85 72.4 94.17 0.08 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.461 0.648 . . . . 0.0 111.032 176.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -125.74 166.75 16.22 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.94 -34.19 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -89.95 137.23 32.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.926 174.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.09 -61.84 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -156.56 178.95 9.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.55 20.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 62.51 27.52 16.3 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 123.019 0.528 . . . . 0.0 110.981 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -83.64 -8.85 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.664 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -76.73 129.9 36.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.202 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.57 115.21 27.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.453 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t 69.63 -174.46 0.19 Allowed 'General case' 0 C--O 1.235 0.304 0 O-C-N 124.041 0.838 . . . . 0.0 110.05 -176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.664 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 44.7 mt-10 -128.6 152.51 48.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.053 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HG3' ' HG ' ' A' ' 37' ' ' LEU . 10.2 ptp180 -88.0 -18.24 29.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.775 0.321 . . . . 0.0 111.159 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.514 HD13 HG22 ' A' ' 58' ' ' VAL . 80.5 mt -113.93 13.51 18.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.142 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.664 ' HB ' ' HB2' ' A' ' 35' ' ' GLU . 7.7 p -62.49 -40.14 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.295 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 50.4 m -68.22 -35.63 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.913 0.387 . . . . 0.0 110.403 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.67 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.219 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.1 -45.14 94.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.485 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m -59.87 -40.08 87.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.606 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 39' ' ' SER . 85.9 mt -63.23 -34.81 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.641 0.257 . . . . 0.0 110.957 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.2 tp -71.86 -38.83 70.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.049 0.452 . . . . 0.0 109.808 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.572 ' HA ' HD21 ' A' ' 14' ' ' LEU . 3.8 tmt_? -64.97 -34.55 78.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.979 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -78.09 -4.41 47.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.601 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.53 32.78 79.63 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 121.266 -0.492 . . . . 0.0 112.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HD2' HD22 ' A' ' 43' ' ' LEU . 24.0 ttmm -93.11 -44.17 8.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.61 0.243 . . . . 0.0 111.019 -176.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.7 pt -98.19 176.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.728 0.299 . . . . 0.0 111.295 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.1 p -98.72 171.93 7.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.315 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.93 -41.32 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.477 ' HE ' HG21 ' A' ' 122' ' ' THR . 1.0 OUTLIER -54.76 -44.27 73.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.525 175.466 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.8 -44.68 95.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.779 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.551 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 61.2 t80 -61.57 -45.42 94.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.357 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.39 -42.29 87.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.524 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.505 ' HG3' HD13 ' A' ' 116' ' ' ILE . 35.4 ttp85 -56.08 -50.93 69.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.886 0.374 . . . . 0.0 110.872 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.31 92.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.357 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 37' ' ' LEU . 42.1 t -73.03 -37.71 54.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.231 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.46 -23.17 64.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' HA ' HD13 ' A' ' 112' ' ' ILE . 77.4 mttt -93.53 15.6 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.5 p -96.1 149.15 21.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.31 82.13 6.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.133 0.492 . . . . 0.0 110.9 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 64' ' ' TYR . 38.2 tp -82.67 111.42 18.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.815 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 82.4 m-85 72.39 -60.9 0.51 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.883 0.739 . . . . 0.0 110.953 -176.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 1.068 ' HG3' ' HB3' ' A' ' 69' ' ' LEU . 25.8 tptt -148.41 148.43 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 69' ' ' LEU . 1.4 mp0 -47.18 100.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.755 0.66 . . . . 0.0 112.053 -176.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.629 ' HZ2' HG12 ' A' ' 112' ' ' ILE . 22.0 tptm 67.92 32.24 5.26 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 62.49 36.14 14.21 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.184 0.993 . . . . 0.0 110.172 -177.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.068 ' HB3' ' HG3' ' A' ' 65' ' ' LYS . 64.5 tp -58.87 151.94 20.46 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.548 -1.66 . . . . 0.0 112.244 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' HE2' ' HD2' ' A' ' 73' ' ' PHE . 41.3 t80 -141.75 -39.52 0.38 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.23 175.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.66 156.63 32.72 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.385 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.6 t30 69.85 -72.07 0.11 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.791 0.436 . . . . 0.0 110.452 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.506 ' HD2' ' HE2' ' A' ' 70' ' ' TYR . 84.1 m-85 -86.86 61.96 7.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.449 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 7.0 tp60 -65.8 -25.6 67.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.017 -176.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.417 ' HA ' HD12 ' A' ' 78' ' ' ILE . 37.1 p -57.89 -29.51 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 27.4 ttm180 -66.99 -37.54 84.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.626 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.57 -32.5 58.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.415 0.626 . . . . 0.0 109.705 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 64.2 mt -66.66 -42.52 89.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.243 175.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 75' ' ' THR . 47.3 mt-10 -62.16 -37.57 85.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.593 177.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.9 mt -62.39 -38.67 90.54 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.419 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 8.4 m-80 -55.67 -57.09 13.41 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.385 0.612 . . . . 0.0 110.529 174.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.531 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 8.0 m-85 -65.1 -34.76 79.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.959 -173.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 133' ' ' TYR . 87.3 tttt -75.11 -51.06 14.39 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.63 -177.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -91.89 -24.26 19.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -169.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.8 mt -101.25 -47.1 4.83 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.475 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.9 -26.09 24.1 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.193 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.614 ' HA2' ' HA ' ' A' ' 133' ' ' TYR . . . 76.93 27.01 61.2 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.421 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 35.6 tpt85 -158.32 133.27 8.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.586 0.193 . . . . 0.0 110.653 -176.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.24 152.86 87.4 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.713 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.41 150.31 42.51 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.255 2.637 . . . . 0.0 113.315 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.472 ' OH ' ' HG2' ' A' ' 88' ' ' ARG . 95.7 m-85 -99.09 -59.9 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 -177.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -130.45 -165.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.15 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -87.23 -32.69 19.63 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -172.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.2 p -62.67 -34.35 76.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 111.558 -171.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . 9.3 pt-20 -66.31 -38.17 87.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.604 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.69 -48.71 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.833 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.79 -41.99 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.577 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -54.52 -50.88 66.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.34 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 41.5 m-70 -68.57 -30.43 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.219 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.51 -51.92 56.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.131 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.4 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.32 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.46 -41.79 99.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.744 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -70.56 -32.67 70.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.29 -45.51 69.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.707 0.289 . . . . 0.0 110.787 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -83.02 -57.74 3.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -174.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -102.44 -33.33 9.57 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.739 -173.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.09 -172.46 15.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.392 174.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.542 ' O ' HG13 ' A' ' 112' ' ' ILE . 50.1 p90 -70.07 -19.96 63.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.583 -0.309 . . . . 0.0 111.567 -175.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.07 -48.28 76.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.029 0.442 . . . . 0.0 110.041 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.0 64.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.309 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.8 -33.51 68.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.311 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.629 HG12 ' HZ2' ' A' ' 67' ' ' LYS . 62.9 mt -74.56 -42.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.473 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 116' ' ' ILE . 1.1 m-20 -63.44 -18.55 63.86 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.348 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -50.06 -39.38 41.93 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.02 0.438 . . . . 0.0 111.403 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -77.17 -30.46 54.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.362 0.601 . . . . 0.0 110.714 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 113' ' ' ASP . 14.6 mt -83.87 -15.95 11.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.017 -172.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -93.95 -3.39 51.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.01 0.434 . . . . 0.0 111.084 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -107.95 89.99 6.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.863 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.17 -46.43 8.01 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.816 2.344 . . . . 0.0 112.536 -175.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -58.21 -47.56 83.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.55 -44.35 96.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.477 HG21 ' HE ' ' A' ' 52' ' ' ARG . 24.7 m -64.13 -43.83 94.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.637 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.445 ' HA ' ' OD1' ' A' ' 127' ' ' ASP . 2.6 t-20 -64.16 -38.73 92.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -176.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.0 m -75.39 -40.43 57.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 111.022 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -74.99 -38.56 61.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.477 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.553 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 144.7 78.41 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.496 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 123' ' ' ASN . 5.1 p-10 -68.87 -17.27 63.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.401 ' HD1' ' OD2' ' A' ' 127' ' ' ASP . 68.5 m95 -127.23 27.56 5.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.117 173.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.553 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 58.0 t -131.24 147.67 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.116 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 67.7 t -71.19 126.25 91.94 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 120.596 0.236 . . . . 0.0 110.575 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 130' ' ' VAL . 50.5 Cg_exo -55.25 126.93 24.2 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.34 2.694 . . . . 0.0 113.095 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -131.95 140.91 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.765 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.614 ' HA ' ' HA2' ' A' ' 87' ' ' GLY . 4.2 p90 -83.27 108.61 16.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.086 0.469 . . . . 0.0 112.017 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.635 ' HG2' HD13 ' A' ' 136' ' ' LEU . 44.1 ttp85 68.58 -71.51 0.11 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.92 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.58 -91.42 1.62 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.104 -0.57 . . . . 0.0 113.06 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.635 HD13 ' HG2' ' A' ' 134' ' ' ARG . 11.0 mp 61.43 -92.1 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.934 0.494 . . . . 0.0 110.73 -173.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 66.74 -72.72 0.08 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.263 0.625 . . . . 0.0 112.063 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -67.09 161.19 25.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.942 0.401 . . . . 0.0 111.661 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.81 154.82 20.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.591 175.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -140.53 35.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.905 0.383 . . . . 0.0 111.435 -173.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.501 ' HB3' ' H ' ' A' ' 142' ' ' HIS . 38.0 m80 60.0 -143.23 0.55 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.879 176.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.501 ' H ' ' HB3' ' A' ' 141' ' ' HIS . 77.8 m-70 70.73 45.66 0.56 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.812 0.695 . . . . 0.0 110.606 -175.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 68.9 t60 . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.29 177.386 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.56 139.08 86.92 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.65 2.233 . . . . 0.0 112.298 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 t -74.84 106.37 4.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' CD ' HH21 ' A' ' 6' ' ' ARG . 9.9 pt-20 -112.66 149.76 32.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.906 -175.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.6 tp -104.68 100.14 9.8 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 168.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.4 HH21 ' CD ' ' A' ' 4' ' ' GLU . 4.2 ptp180 -90.83 170.61 9.95 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.272 -174.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.56 78.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.955 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -108.55 76.08 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.13 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -93.47 165.2 12.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.977 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.3 m -123.41 167.91 13.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.13 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 15.2 mm-40 -58.51 -53.34 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.561 0.219 . . . . 0.0 111.124 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.56 -31.12 71.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.412 0.625 . . . . 0.0 110.751 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 17' ' ' VAL . 30.5 t70 -72.36 -38.55 68.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.517 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.3 tp -64.12 -41.63 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.262 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 18.0 mm-40 -55.35 -42.9 74.5 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.354 0.597 . . . . 0.0 109.718 173.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 m -63.18 -43.78 97.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.892 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 13' ' ' ASP . 86.2 t -62.63 -52.25 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.443 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 pt -64.83 -36.21 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.589 -175.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.626 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 69.3 mtp180 -76.13 -27.29 56.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.736 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.47 70.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.116 0.484 . . . . 0.0 110.051 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -75.45 -41.66 42.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.166 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.43 ' CD1' HG11 ' A' ' 58' ' ' VAL . 25.1 p90 -154.67 123.38 6.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.24 0.543 . . . . 0.0 111.451 178.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 26.0 mtm180 -112.2 24.47 12.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 174.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.38 128.57 37.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.023 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.8 t -88.38 -39.63 12.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 -174.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.88 ' HG ' ' H ' ' A' ' 27' ' ' GLY . 20.8 tp 65.54 -168.36 0.21 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.311 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.88 ' H ' ' HG ' ' A' ' 26' ' ' LEU . . . -98.7 -143.75 15.43 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.281 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.421 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 6.0 t-20 -116.67 19.67 14.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.471 0.653 . . . . 0.0 109.319 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 32' ' ' MET . 10.7 m-20 -78.13 73.42 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.075 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.421 ' HD1' ' O ' ' A' ' 28' ' ' ASN . 13.3 p90 -80.67 -8.29 59.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.76 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m -101.53 9.7 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.262 -175.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 26.7 ptt? -94.74 -41.51 9.22 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.085 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 54.98 29.43 12.24 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 m -60.49 -33.8 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.426 -177.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' HG2' ' HB3' ' A' ' 61' ' ' SER . 7.2 tp10 -144.83 131.49 19.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.645 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -115.08 96.81 5.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD13 HG22 ' A' ' 58' ' ' VAL . 66.9 mt -86.9 -2.8 58.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.826 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.69 -28.9 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.14 174.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 13.1 m -68.5 -34.64 76.24 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.988 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.9 -36.92 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.642 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.93 -49.07 79.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.65 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.3 p -66.26 -39.06 89.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.217 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 39' ' ' SER . 67.9 mt -61.17 -40.25 93.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.649 0.261 . . . . 0.0 111.085 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.9 tp -74.46 -45.1 48.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.007 0.432 . . . . 0.0 110.55 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 45' ' ' ARG . 36.2 ttt85 -63.44 -34.56 78.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.177 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.533 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 7.8 t-20 -80.81 -12.7 59.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 110.301 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.2 28.14 56.58 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.733 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 41.1 mtpt -89.11 -26.41 21.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.945 0.402 . . . . 0.0 110.365 -178.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 pp -129.89 165.61 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.3 p -96.23 173.83 7.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 55' ' ' VAL . 48.4 t -61.42 -28.81 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.072 0.463 . . . . 0.0 109.956 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.722 ' HG2' HG21 ' A' ' 122' ' ' THR . 1.9 tmm_? -57.19 -48.51 78.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.357 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.09 -39.76 86.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.64 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.68 -45.68 93.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.796 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 51' ' ' VAL . 84.0 t -61.15 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.556 ' HD2' HG21 ' A' ' 116' ' ' ILE . 20.5 ttt180 -60.31 -45.06 94.72 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.736 0.303 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.13 -55.0 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.899 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.475 HG22 HD13 ' A' ' 37' ' ' LEU . 35.0 t -69.81 -28.96 38.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.092 -177.436 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.94 75.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.116 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -101.98 13.92 33.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.11 0.481 . . . . 0.0 111.342 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.449 ' OG ' HD21 ' A' ' 37' ' ' LEU . 73.8 m -99.23 -47.42 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.192 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -121.67 -172.56 2.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.177 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mp 66.53 23.99 10.35 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.642 0.589 . . . . 0.0 111.063 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -90.07 -20.74 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.867 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -172.46 139.6 1.0 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.419 0.152 . . . . 0.0 110.723 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.78 ' HG2' ' HD3' ' A' ' 67' ' ' LYS . 32.7 tt0 -171.01 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 172.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.78 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 3.7 mppt? -129.26 19.32 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.183 0.516 . . . . 0.0 109.799 170.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -128.26 175.66 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.379 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.8 tp 67.27 69.79 0.38 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.975 0.797 . . . . 0.0 111.496 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.5 p90 179.99 171.79 1.09 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.065 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.85 19.4 67.47 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.777 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 65.43 15.86 10.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.4 0.619 . . . . 0.0 110.925 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -82.77 44.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.216 0.531 . . . . 0.0 110.555 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.411 ' O ' HG12 ' A' ' 78' ' ' ILE . 11.5 mm100 -66.47 -25.97 66.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.763 -177.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -61.3 -32.97 72.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.825 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.554 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 10.2 mmt180 -74.1 -27.65 60.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.342 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.417 ' HA ' HD12 ' A' ' 80' ' ' LEU . 48.2 t -69.4 -37.85 76.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 175.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 74' ' ' GLN . 43.2 mm -60.69 -44.09 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.707 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.9 -39.64 92.69 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.438 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 92.5 mt -59.81 -50.7 72.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.54 -44.6 90.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.535 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 2.3 m-85 -57.65 -48.61 79.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.041 0.448 . . . . 0.0 111.428 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . 34.0 ttmt -70.21 -34.5 72.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.108 -175.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -86.14 -33.77 20.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -175.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.7 mt -99.76 -39.05 8.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -173.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.4 mt -110.36 -12.5 14.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.62 -175.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 68.05 28.06 73.5 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.639 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.535 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 13.2 ptm180 -140.42 153.01 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.759 0.314 . . . . 0.0 110.435 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.83 155.82 38.82 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.682 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.73 121.29 7.77 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.914 2.409 . . . . 0.0 112.222 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -83.36 -42.84 16.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.879 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -133.23 157.82 44.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.423 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.0 -33.47 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.342 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -57.83 -40.55 80.28 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.762 -177.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.463 ' HB3' ' OH ' ' A' ' 82' ' ' TYR . 32.1 mt-10 -60.07 -42.51 94.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.209 0.528 . . . . 0.0 110.5 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.5 t -68.75 -52.7 32.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.695 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.14 -40.54 83.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.457 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.47 -54.51 46.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.837 0.351 . . . . 0.0 111.107 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -67.36 -35.1 78.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.905 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.87 -52.46 65.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.037 0.446 . . . . 0.0 110.429 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.1 -43.42 95.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.748 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.5 -50.33 71.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.023 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.18 -49.72 73.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.444 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.75 -34.1 76.16 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -83.36 -58.2 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.993 -177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -91.95 -36.27 13.53 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.517 -0.473 . . . . 0.0 112.16 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.37 176.9 14.6 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 119.955 -1.117 . . . . 0.0 113.598 174.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -64.17 -38.95 92.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.149 -0.526 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.77 -38.48 81.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.394 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.78 74.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.379 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.08 -50.25 72.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.376 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 43.2 mm -56.22 -41.22 69.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.78 -36.4 69.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.187 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.2 m -57.69 -37.47 73.51 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.456 ' HE1' ' CE1' ' A' ' 82' ' ' TYR . 50.6 m-85 -78.82 -26.75 44.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.192 0.52 . . . . 0.0 110.746 -175.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.556 HG21 ' HD2' ' A' ' 56' ' ' ARG . 37.1 mm -93.02 -20.28 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.552 -176.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -85.39 5.64 30.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.328 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 12.7 p -106.01 89.03 3.39 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 172.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 12.1 Cg_endo -56.23 -51.02 10.33 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.219 2.613 . . . . 0.0 113.692 -171.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.678 ' HA ' ' OD1' ' A' ' 123' ' ' ASN . 36.0 tt0 -70.12 -37.82 75.41 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.837 -173.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -62.15 -28.08 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.737 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.722 HG21 ' HG2' ' A' ' 52' ' ' ARG . 25.5 m -83.3 -56.08 3.97 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.147 177.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.856 ' HA ' ' HB3' ' A' ' 127' ' ' ASP . 1.8 p-10 -71.02 -26.28 63.04 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -170.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.4 t -85.95 -4.28 59.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.667 0.27 . . . . 0.0 111.153 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -116.36 -39.42 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -176.08 81.06 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.68 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.856 ' HB3' ' HA ' ' A' ' 123' ' ' ASN . 22.9 p-10 -80.92 -42.14 21.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.259 0.552 . . . . 0.0 110.218 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -115.1 16.44 17.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.794 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.7 t -122.63 136.96 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.842 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.14 128.2 92.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.3 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -44.73 113.35 0.46 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.844 3.029 . . . . 0.0 112.996 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.407 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 15.9 p90 -108.53 170.89 7.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.026 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.424 ' O ' ' HG2' ' A' ' 134' ' ' ARG . 4.1 t80 -83.07 114.98 21.67 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.831 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 133' ' ' TYR . 9.2 ptp85 55.49 -173.6 0.05 Allowed 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.425 1.078 . . . . 0.0 112.054 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -79.51 53.76 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.827 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 137' ' ' GLU . 7.7 mp 60.91 -93.45 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.367 0.667 . . . . 0.0 110.929 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 136' ' ' LEU . 2.0 mm-40 -165.68 -59.62 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.647 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -117.09 103.36 10.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.627 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -110.38 126.78 54.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -82.35 8.06 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.804 -169.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.71 100.02 3.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -125.92 144.3 50.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.638 -166.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 9.1 p80 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.858 172.536 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.7 mpt? . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.675 0.274 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.1 Cg_exo -74.4 116.27 4.57 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.877 2.385 . . . . 0.0 111.666 176.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.0 t -82.6 99.35 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 8.9 pt-20 -115.68 145.84 42.38 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 -173.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 tp -85.73 100.06 11.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 173.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -76.37 150.49 36.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.387 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.52 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.4 . . . . 0.0 111.228 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -102.71 87.3 2.94 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -112.82 163.66 14.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.271 0.557 . . . . 0.0 111.379 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 t -133.9 -179.29 5.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.346 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.32 -46.17 76.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.719 0.295 . . . . 0.0 111.544 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.41 -44.77 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.133 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.5 -48.81 78.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.312 0.577 . . . . 0.0 109.901 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.8 tp -62.8 -41.15 99.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.009 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.4 -41.59 98.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.997 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.6 m -59.84 -41.72 92.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.334 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.9 t -59.03 -45.95 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.335 175.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 14' ' ' LEU . 87.1 mt -59.61 -49.58 83.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.288 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -65.55 -31.85 73.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.969 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.44 -40.58 93.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.471 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.4 -47.46 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.199 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -154.89 145.86 22.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -111.93 89.34 3.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.121 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -91.36 -78.72 0.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.866 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.1 t 69.74 -56.3 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.562 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.7 tp -58.7 115.63 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.093 0.473 . . . . 0.0 109.886 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.01 -29.76 1.23 Allowed Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 m120 65.97 -175.54 0.18 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.052 0.541 . . . . 0.0 111.603 172.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -108.96 -33.14 7.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -85.4 -91.27 0.09 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.96 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.699 HG23 ' H ' ' A' ' 32' ' ' MET . 5.0 m 32.83 -101.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.14 0.976 . . . . 0.0 113.336 -176.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.699 ' H ' HG23 ' A' ' 31' ' ' VAL . 2.5 tpt -135.04 -45.6 0.72 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 176.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.07 138.8 19.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.584 173.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.6 m -69.01 -43.22 75.22 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 56.91 29.69 16.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.435 0.636 . . . . 0.0 110.673 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -91.35 41.69 1.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.573 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD13 HG22 ' A' ' 58' ' ' VAL . 92.9 mt 59.19 56.96 3.64 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.049 -177.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.26 -40.36 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.762 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 19.5 m -66.26 -49.46 67.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.664 0.269 . . . . 0.0 110.525 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.18 94.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.52 ' OE2' ' HD2' ' A' ' 45' ' ' ARG . 7.2 tm-20 -61.79 -48.84 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -62.81 -40.22 96.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 39' ' ' SER . 77.9 mt -62.91 -43.0 99.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.514 0.197 . . . . 0.0 111.461 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.7 tp -73.82 -37.59 64.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.003 0.43 . . . . 0.0 110.21 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.52 ' HD2' ' OE2' ' A' ' 41' ' ' GLU . 37.1 ttt180 -63.23 -36.07 82.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.353 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -81.03 -13.34 58.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.595 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.85 22.08 75.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.299 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -81.08 -30.5 34.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.793 0.33 . . . . 0.0 110.567 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.781 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 49.9 pt -118.41 167.54 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.722 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 p -93.04 178.11 5.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.956 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 67.8 t -67.74 -29.9 46.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.726 ' HG3' HG21 ' A' ' 122' ' ' THR . 34.1 ttp180 -56.3 -48.95 75.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.927 173.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.781 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 7.7 mm-40 -72.16 -26.29 62.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.074 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.1 t80 -67.33 -52.68 37.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 175.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.1 -40.29 76.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.978 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 22.1 ttt180 -47.9 -54.52 12.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.312 174.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.82 69.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.83 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 54' ' ' PHE . 90.5 t -66.75 -44.18 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.125 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.614 ' HB1' HD13 ' A' ' 112' ' ' ILE . . . -76.72 -40.12 49.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.616 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -83.28 17.12 2.18 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.783 0.325 . . . . 0.0 111.723 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.7 p -75.04 -167.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.066 0.46 . . . . 0.0 110.058 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -84.72 -7.18 59.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.353 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.7 mt 64.72 169.17 0.18 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.611 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -80.67 -35.34 33.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.946 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.806 ' HG3' ' HB3' ' A' ' 69' ' ' LEU . 89.0 tttt 70.69 -44.52 0.58 Allowed 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.847 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -37.4 -66.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.101 0.961 . . . . 0.0 112.717 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -110.55 24.23 13.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.999 0.428 . . . . 0.0 110.587 -176.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -126.59 -59.16 1.3 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.806 ' HB3' ' HG3' ' A' ' 65' ' ' LYS . 32.9 tp -89.19 -8.9 52.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.858 0.361 . . . . 0.0 111.489 -170.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -147.13 146.75 30.02 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.17 6.52 55.61 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.837 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -157.65 178.66 10.02 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -63.14 129.83 42.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.604 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -62.35 -26.07 68.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.038 0.447 . . . . 0.0 110.348 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 p -67.03 -25.05 66.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.039 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 3.3 tpt180 -73.39 -26.93 61.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.087 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.45 -38.78 82.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.275 0.56 . . . . 0.0 109.644 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.1 mt -65.13 -40.72 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.026 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.27 -37.35 80.2 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.194 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 98.1 mt -57.91 -52.92 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -64.38 -48.51 75.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 110.341 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -55.87 25.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.805 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HG3' ' HE1' ' A' ' 133' ' ' TYR . 87.3 tttt -71.82 -37.89 70.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.17 -172.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -88.68 -21.99 23.63 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -172.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.1 mt -99.77 -35.27 9.85 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.542 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -95.99 -7.03 37.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.917 0.389 . . . . 0.0 110.716 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.96 18.17 74.22 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.58 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -154.64 141.22 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.49 156.5 90.21 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.06 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.29 129.38 34.3 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.096 2.531 . . . . 0.0 112.502 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -81.99 -46.31 14.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.949 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -128.58 168.4 15.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.802 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -83.09 -23.05 33.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -40.6 85.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 178.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.549 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 8.5 mm-40 -57.59 -49.48 76.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.409 172.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.81 -49.32 70.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.648 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.487 ' HA ' HD12 ' A' ' 100' ' ' LEU . 73.6 mt -63.12 -40.71 90.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.21 -46.38 88.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.225 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.549 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 68.2 m-70 -70.62 -32.58 69.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.722 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 97' ' ' ILE . 30.3 mt -58.84 -53.58 56.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.019 0.437 . . . . 0.0 111.01 176.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.57 -38.29 90.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.473 -177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 111' ' ' ASP . 50.9 tp -61.99 -44.28 97.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.04 175.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.58 -44.23 94.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.21 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.65 -35.75 81.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.51 -41.91 6.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -172.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -102.77 -36.12 8.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.804 0.335 . . . . 0.0 111.312 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.53 174.4 17.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.691 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -70.99 -24.2 62.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.302 . . . . 0.0 110.308 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 15.0 t70 -60.11 -40.29 89.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.85 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.68 -31.97 41.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.965 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.435 ' HA ' HD23 ' A' ' 102' ' ' LEU . 30.2 t70 -59.63 -52.27 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.315 0.579 . . . . 0.0 109.901 176.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.614 HD13 ' HB1' ' A' ' 59' ' ' ALA . 74.0 mt -68.99 -28.4 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.408 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 23.6 t70 -62.77 -25.72 68.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.957 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.2 m -56.81 -29.62 62.92 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.017 0.437 . . . . 0.0 110.933 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -78.72 -51.75 9.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.343 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.38 -33.14 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.087 0.47 . . . . 0.0 110.966 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -75.59 -5.93 47.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.72 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.1 m -114.18 80.04 5.42 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.96 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.96 -29.86 40.26 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.66 2.24 . . . . 0.0 112.579 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.3 -57.96 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.245 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -68.72 -25.9 64.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.726 HG21 ' HG3' ' A' ' 52' ' ' ARG . 84.9 m -69.0 -54.03 17.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.208 176.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 1.009 ' HA ' ' HB2' ' A' ' 127' ' ' ASP . 26.7 p30 -66.11 -21.2 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.075 -176.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.1 m -81.84 -24.59 35.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.199 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -121.1 -40.07 2.64 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -173.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.82 68.41 0.3 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.489 -0.863 . . . . 0.0 113.172 -175.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 1.009 ' HB2' ' HA ' ' A' ' 123' ' ' ASN . 36.7 t70 -103.64 -42.78 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 174.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -117.88 3.92 12.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.606 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 40.9 t -120.38 143.74 31.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.597 -177.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.6 t -81.96 126.96 73.79 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -46.55 103.4 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.222 2.615 . . . . 0.0 112.998 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -97.91 162.52 13.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.184 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.442 ' HE1' ' HG3' ' A' ' 83' ' ' LYS . 9.8 t80 -79.2 116.63 19.59 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.044 0.449 . . . . 0.0 110.699 -175.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -132.28 107.84 8.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.254 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -88.32 -165.18 41.02 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.662 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 92.9 mt 68.82 -159.64 0.19 Allowed 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.894 0.477 . . . . 0.0 111.019 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -154.29 174.9 14.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -48.04 133.24 15.04 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.179 0.299 . . . . 0.0 110.995 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -57.58 -50.22 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.107 -174.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -95.48 108.62 20.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.459 ' O ' ' HB2' ' A' ' 142' ' ' HIS . 23.7 p-80 -138.2 99.59 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.238 0.542 . . . . 0.0 111.477 -175.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 141' ' ' HIS . 20.7 t-80 175.74 -48.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.125 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.494 179.058 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.618 0.247 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -93.51 176.92 1.33 Allowed 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 122.728 2.286 . . . . 0.0 111.385 172.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -88.23 99.52 9.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -124.01 158.21 32.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.977 0.418 . . . . 0.0 111.082 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' A' ' 17' ' ' VAL . 29.5 tp -127.67 95.74 4.32 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 171.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' C ' ' H ' ' A' ' 8' ' ' ASN . 38.2 mtp180 -142.69 98.96 3.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.907 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 9' ' ' TRP . . . 68.02 -33.71 0.23 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 124.013 0.821 . . . . 0.0 112.966 177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.445 ' H ' ' C ' ' A' ' 6' ' ' ARG . 6.6 t-20 -79.18 25.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.322 0.582 . . . . 0.0 110.777 -176.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.567 ' HZ2' ' HA ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -50.63 124.12 10.23 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.08 0.952 . . . . 0.0 112.738 -178.386 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.7 p -151.22 178.9 8.78 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -62.47 -47.28 84.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.225 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -64.77 -46.4 82.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.443 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.5 m-20 -59.76 -56.01 27.16 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.63 ' O ' HG12 ' A' ' 18' ' ' ILE . 42.0 tp -58.08 -50.55 73.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.204 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.65 -36.49 83.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.434 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.7 m -65.41 -39.8 92.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.801 0.334 . . . . 0.0 110.151 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' ' 5' ' ' LEU . 70.4 t -61.07 -46.56 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.51 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.63 HG12 ' O ' ' A' ' 14' ' ' LEU . 11.6 mm -56.7 -51.7 63.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.376 0.608 . . . . 0.0 109.764 176.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 19' ' ' ARG . 44.6 ttm105 -61.9 -34.99 77.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.072 -175.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.05 78.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.776 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 17' ' ' VAL . 48.4 t -73.23 -41.29 58.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.302 177.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -170.06 152.68 4.37 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.276 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' HG3' ' H ' ' A' ' 24' ' ' GLN . 3.0 tpm_? -177.26 -155.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.52 ' H ' ' HG3' ' A' ' 23' ' ' ARG . 5.8 mm100 -75.98 -42.62 47.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.215 -176.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.542 HG23 ' H ' ' A' ' 26' ' ' LEU . 34.0 m 53.5 -68.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.312 1.445 . . . . 0.0 113.471 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.542 ' H ' HG23 ' A' ' 25' ' ' VAL . 83.9 mt -125.29 3.08 7.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.966 -0.459 . . . . 0.0 110.34 178.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.97 84.23 0.7 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.669 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -83.96 7.89 16.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.941 0.4 . . . . 0.0 110.781 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -112.77 -171.82 1.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -112.9 1.34 15.44 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.912 0.387 . . . . 0.0 111.0 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -89.52 95.22 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.631 0.729 . . . . 0.0 111.041 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.9 mmm -126.47 -55.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.589 176.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.73 -175.71 0.16 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.322 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t 71.23 107.39 0.06 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.167 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -113.29 87.73 2.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.266 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 29.7 mmt180 -128.31 -32.14 2.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.349 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 58' ' ' VAL . 77.6 mt -90.9 -3.65 57.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.258 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.16 -39.5 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.8 m -62.19 -41.13 98.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.345 176.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.6 91.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.734 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.01 -45.21 91.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 110.288 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -61.72 -49.18 77.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.553 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 39' ' ' SER . 95.1 mt -62.55 -37.37 85.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.45 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.2 tp -71.81 -39.59 69.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.659 0.266 . . . . 0.0 110.524 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.567 ' HA ' ' HZ2' ' A' ' 9' ' ' TRP . 45.9 ttm105 -64.61 -35.08 79.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.189 0.518 . . . . 0.0 110.138 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -17.01 59.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.722 177.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.32 34.95 63.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.944 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -93.23 -31.46 14.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.891 0.377 . . . . 0.0 110.764 -178.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.7 pt -118.03 161.05 17.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.631 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -85.5 168.43 14.54 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.096 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.552 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 87.8 t -69.32 -31.8 51.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.45 -176.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.54 ' HG3' ' HG3' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -56.02 -36.5 68.02 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.923 0.392 . . . . 0.0 110.2 172.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.54 ' HG3' ' HG3' ' A' ' 52' ' ' ARG . 46.0 mt-10 -83.37 -27.3 29.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.71 -177.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . 87.5 t80 -64.44 -51.43 63.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 173.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.38 -32.33 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.032 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.596 ' HG3' HD13 ' A' ' 116' ' ' ILE . 40.5 ttt180 -55.8 -49.99 71.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.498 178.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.41 98.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.911 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.509 ' HA ' HD21 ' A' ' 37' ' ' LEU . 48.1 t -62.99 -39.26 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.851 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.51 -25.67 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.594 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -96.61 17.06 17.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.969 0.414 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 m -97.49 -167.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.876 173.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' HG2' ' H ' ' A' ' 67' ' ' LYS . 57.1 mt-10 -105.37 -101.56 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.735 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.1 tp 65.72 -71.69 0.08 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.142 0.577 . . . . 0.0 111.425 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 51.5 m-85 -104.07 102.04 11.8 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.695 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 64.2 mttp 69.39 134.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.475 0.484 . . . . 0.0 109.895 -172.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.23 108.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.576 0.226 . . . . 0.0 110.782 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' H ' ' HG2' ' A' ' 62' ' ' GLU . 59.9 mttp 62.3 39.35 12.45 Favored 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 124.006 0.816 . . . . 0.0 109.793 -178.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 69' ' ' LEU . 5.7 m-30 62.27 34.33 16.0 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.318 -176.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.703 ' HB3' HG21 ' A' ' 77' ' ' VAL . 2.7 tm? 79.3 109.16 0.07 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.319 174.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -66.61 -26.01 66.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.255 -1.339 . . . . 0.0 112.656 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 157.39 108.14 0.26 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 119.909 -1.139 . . . . 0.0 113.675 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.466 ' N ' HD11 ' A' ' 69' ' ' LEU . 60.5 t30 176.8 97.05 0.01 OUTLIER 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 60.18 77.2 0.33 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.051 -172.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.514 ' O ' HG13 ' A' ' 78' ' ' ILE . 52.4 tp60 -61.43 -26.16 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.593 -173.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 78' ' ' ILE . 18.8 p -53.96 -38.34 64.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -68.12 -37.18 80.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 111.011 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.703 HG21 ' HB3' ' A' ' 69' ' ' LEU . 76.7 t -75.64 -31.35 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.319 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 75' ' ' THR . 81.0 mt -55.9 -47.21 80.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.164 0.506 . . . . 0.0 109.892 173.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.604 ' HB3' ' NZ ' ' A' ' 83' ' ' LYS . 14.8 mt-10 -61.01 -44.36 97.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.041 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.6 -50.26 74.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.317 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -61.89 -44.68 96.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.643 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -58.49 -42.42 87.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.831 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.604 ' NZ ' ' HB3' ' A' ' 79' ' ' GLU . 61.6 mttp -71.88 -25.23 61.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -95.36 -20.12 19.39 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.839 -178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 112' ' ' ILE . 96.5 mt -100.75 -39.19 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD21 ' CE1' ' A' ' 115' ' ' TYR . 64.2 mt -122.03 -18.27 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.916 0.389 . . . . 0.0 111.161 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 77.87 14.61 82.17 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.117 -177.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 5.3 ptp180 -108.95 167.73 9.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.241 0.543 . . . . 0.0 111.035 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.73 153.67 42.87 Favored Pre-proline 0 C--N 1.317 -0.821 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 169.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.54 106.07 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.096 1.864 . . . . 0.0 111.894 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 88' ' ' ARG . 87.2 m-85 -82.47 -36.59 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.195 0.522 . . . . 0.0 109.996 -178.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -117.5 146.52 43.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.681 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' H ' ' CD ' ' A' ' 93' ' ' GLU . 1.0 OUTLIER -60.94 -27.86 68.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.403 177.124 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 m -55.67 -38.24 69.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.614 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.15 -42.07 89.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.138 0.494 . . . . 0.0 110.455 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.0 t -64.56 -52.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.406 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.44 -43.23 90.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.128 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -56.08 -46.86 78.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -72.34 -35.99 68.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.566 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.7 mt -58.89 -51.34 70.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 110.887 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -67.72 -38.79 84.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.726 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 111' ' ' ASP . 28.1 tp -57.69 -46.87 83.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.655 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.91 -50.61 68.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.89 -16.59 63.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -174.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -99.17 -57.8 2.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.07 -35.13 10.13 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.526 -175.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.2 174.81 13.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.395 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -69.94 -25.25 63.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.787 0.327 . . . . 0.0 110.53 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 13.8 t70 -60.3 -40.64 91.2 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.36 71.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.165 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.545 ' HA ' HD23 ' A' ' 102' ' ' LEU . 12.3 t70 -52.85 -46.2 67.71 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.333 0.587 . . . . 0.0 110.101 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.495 HG23 HD11 ' A' ' 85' ' ' LEU . 59.6 mt -77.45 -41.47 29.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.383 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 2.2 t70 -68.92 -21.58 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.858 -171.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.9 p -47.89 -61.75 1.8 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.627 ' HE1' ' HB3' ' A' ' 121' ' ' TYR . 24.9 t80 -65.91 -40.46 91.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 111.298 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.596 HD13 ' HG3' ' A' ' 56' ' ' ARG . 67.1 mt -56.89 -37.13 52.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.531 -174.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -90.65 -27.78 18.81 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.6 p -56.24 110.0 2.04 Favored Pre-proline 0 N--CA 1.468 0.45 0 CA-C-O 121.225 0.536 . . . . 0.0 111.269 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.65 -37.93 26.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.997 2.464 . . . . 0.0 113.029 -172.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 121' ' ' TYR . 7.4 pt-20 -60.9 -48.2 82.91 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.245 -0.182 . . . . 0.0 111.013 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.627 ' HB3' ' HE1' ' A' ' 115' ' ' TYR . 3.9 m-85 -71.3 -32.94 69.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.549 0.214 . . . . 0.0 110.742 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.8 m -56.46 -42.62 78.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.116 0.484 . . . . 0.0 110.733 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -81.8 -28.58 33.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.396 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 43.1 m -79.22 -51.26 9.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.369 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -79.44 -38.8 33.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.929 0.395 . . . . 0.0 110.089 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 114.65 109.0 2.76 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.268 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.552 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 9.9 t70 -54.05 -50.59 66.4 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.49 0.662 . . . . 0.0 110.264 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.479 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 62.5 m95 -87.49 27.74 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.196 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.37 136.62 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.1 t -86.08 124.84 69.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.807 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.71 144.33 65.33 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.762 2.308 . . . . 0.0 112.594 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.512 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 20.4 p90 -127.66 145.36 50.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.892 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.441 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 48.5 p90 -78.95 148.93 32.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.747 0.308 . . . . 0.0 111.203 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -48.65 138.98 10.05 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.443 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.47 -117.43 0.84 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.1 mp 71.83 -46.92 0.65 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' A' ' 139' ' ' HIS . 44.1 mt-10 -48.83 149.18 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.678 -175.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -76.02 27.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.693 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 137' ' ' GLU . 38.9 t-80 -63.31 -29.94 71.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.292 0.568 . . . . 0.0 109.993 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -134.59 120.93 20.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 169.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -75.76 149.51 37.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.408 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -89.79 -165.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.721 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 23.8 p80 . . . . . 0 C--O 1.244 0.782 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.762 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 64.2 mtt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 119.869 -0.11 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.762 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 2.6 Cg_exo -76.86 148.68 28.55 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.948 1.765 . . . . 0.0 111.711 177.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.8 t -93.91 127.02 46.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -139.03 153.04 48.05 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.8 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -98.21 120.31 38.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -80.19 154.46 27.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.54 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.21 135.53 39.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 58.9 80.54 0.18 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -169.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -98.29 178.89 4.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.935 -170.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -132.66 167.0 20.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.717 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 17.9 tp10 -53.75 -45.82 70.69 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.172 0.295 . . . . 0.0 111.343 -175.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.36 -48.75 76.19 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.249 0.547 . . . . 0.0 111.203 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.6 t70 -60.93 -49.33 77.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.306 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.552 ' O ' HG13 ' A' ' 18' ' ' ILE . 57.1 tp -67.78 -42.46 81.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.443 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -53.77 -44.83 70.37 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.212 0.53 . . . . 0.0 110.184 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -61.31 -42.46 98.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.676 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 21' ' ' VAL . 91.8 t -61.77 -46.28 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.0 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 14' ' ' LEU . 63.7 mt -59.13 -49.7 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.046 -178.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 79.3 mtp180 -63.12 -28.5 70.11 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.276 -177.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.29 -49.13 37.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 17' ' ' VAL . 48.0 t -61.48 -48.03 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -145.36 155.1 42.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.091 0.472 . . . . 0.0 111.335 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -154.88 -69.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.91 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' H ' ' H ' ' A' ' 25' ' ' VAL . 36.3 tt0 179.06 -7.62 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.422 0.451 . . . . 0.0 111.035 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.681 HG23 ' H ' ' A' ' 26' ' ' LEU . 3.8 m 40.82 -96.85 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.742 0.817 . . . . 0.0 113.005 -172.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.681 ' H ' HG23 ' A' ' 25' ' ' VAL . 93.8 mt -143.02 126.4 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.512 ' HA3' ' HB3' ' A' ' 30' ' ' TYR . . . -178.25 163.78 32.07 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.264 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -105.9 -64.5 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -86.0 -16.98 36.54 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 175.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.512 ' HB3' ' HA3' ' A' ' 27' ' ' GLY . 57.3 t80 -77.35 78.24 3.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.664 176.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 p -127.8 -14.8 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.614 176.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.2 mmt -78.3 172.18 13.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.494 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' ' 36' ' ' ARG . . . 73.66 1.23 3.88 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.808 0.693 . . . . 0.0 111.319 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.39 -26.15 67.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.072 0.463 . . . . 0.0 111.038 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -124.51 26.22 7.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.95 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.631 ' HB2' ' HA ' ' A' ' 33' ' ' ALA . 53.9 ttm-85 -63.76 -33.78 76.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.259 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.55 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 95.7 mt -92.5 49.69 1.52 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.988 -173.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.87 -37.61 72.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.211 0.529 . . . . 0.0 109.974 175.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.668 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.0 m -58.76 -49.9 75.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.263 177.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . . . -63.96 -40.63 96.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -52.99 -51.97 59.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.231 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -65.31 -40.02 93.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.022 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.4 mt -61.23 -44.03 97.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.997 0.427 . . . . 0.0 110.689 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.5 tp -67.49 -42.71 82.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.693 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 45' ' ' ARG . 55.6 mtt-85 -68.06 -28.58 67.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.798 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -82.41 -11.9 58.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.256 0.551 . . . . 0.0 110.047 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.31 34.24 33.21 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.016 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -88.76 -43.58 11.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.679 0.276 . . . . 0.0 111.019 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 36.2 pt -116.74 156.32 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.131 -176.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.4 p -85.34 173.73 10.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.238 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 55' ' ' VAL . 75.2 t -64.79 -36.14 76.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.835 ' HD3' HG21 ' A' ' 122' ' ' THR . 12.2 ttp180 -53.86 -50.72 65.62 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.593 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.442 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 32.9 mt-10 -67.83 -41.88 82.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.75 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 58' ' ' VAL . 82.7 t80 -58.31 -46.5 86.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' HG2' ' A' ' 131' ' ' PRO . 93.3 t -66.57 -33.53 64.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.221 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 54.7 ttt180 -62.73 -39.04 92.85 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.225 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.23 77.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.683 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 54' ' ' PHE . 48.9 t -71.56 -39.01 69.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.473 177.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB2' HD21 ' A' ' 85' ' ' LEU . . . -62.73 -30.24 71.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.419 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 17.9 ptpt -105.79 15.84 26.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.348 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.2 p -76.76 -30.73 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 0.0 110.963 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' HG3' ' HD2' ' A' ' 64' ' ' TYR . 33.2 tt0 -84.66 99.41 10.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.298 0.57 . . . . 0.0 109.978 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 1.3 pp -92.29 16.16 12.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.835 -176.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.456 ' HD2' ' HG3' ' A' ' 62' ' ' GLU . 62.8 m-85 -91.58 76.85 5.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.863 0.363 . . . . 0.0 110.11 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -54.51 -60.04 3.88 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.248 -174.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -66.36 6.15 0.47 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -92.21 -33.13 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 110.178 178.539 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -137.13 -32.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.731 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.8 tp -94.03 146.69 23.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.6 -174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 75.9 t80 71.72 -49.03 0.68 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.972 0.795 . . . . 0.0 112.54 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.31 -63.79 4.87 Favored Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 114.604 0.601 . . . . 0.0 114.604 -172.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -144.23 124.69 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.305 0.552 . . . . 0.0 111.557 -171.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 58.71 94.36 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.883 0.739 . . . . 0.0 112.497 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -78.0 -26.55 48.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.417 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 m -61.05 -33.42 73.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.886 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 33.6 ttt85 -71.53 -29.41 64.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.143 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.72 -37.29 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.845 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.53 -41.69 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.93 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.3 -40.07 85.02 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.401 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.2 mt -59.82 -54.15 49.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -65.24 -42.24 93.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.627 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 2.8 m-85 -59.36 -49.77 76.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -74.99 -15.21 60.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.48 -174.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -90.86 -43.76 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.685 0.279 . . . . 0.0 111.449 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.515 HD11 HG23 ' A' ' 112' ' ' ILE . 86.8 mt -96.99 -30.07 13.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -171.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD22 ' HE1' ' A' ' 121' ' ' TYR . 72.7 mt -113.69 -17.0 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.766 0.317 . . . . 0.0 110.703 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.17 20.0 74.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.276 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.627 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 7.7 tpt180 -126.37 142.66 51.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -81.13 159.13 68.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.406 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 8.7 Cg_endo -50.57 107.21 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.702 2.268 . . . . 0.0 111.887 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.92 -50.05 52.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.122 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -122.5 159.35 27.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.841 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.38 -22.02 63.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.603 0.24 . . . . 0.0 110.669 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.5 t -61.67 -37.72 85.12 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.14 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -59.99 -40.25 88.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.306 0.574 . . . . 0.0 110.066 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.98 -57.08 13.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.443 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.35 -44.41 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.164 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -58.68 -44.13 90.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.345 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -79.51 -30.61 41.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.47 -44.61 95.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 109.68 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.12 -50.5 73.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.612 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.58 -47.09 83.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.265 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.91 -47.98 83.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.578 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -70.36 -33.53 71.55 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -175.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -82.22 -57.95 3.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.589 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -95.04 -37.24 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -170.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.29 176.91 14.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.194 -1.003 . . . . 0.0 113.319 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -71.29 -39.05 71.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.712 -0.244 . . . . 0.0 111.306 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.29 -29.88 68.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 113' ' ' ASP . . . -74.22 -29.84 61.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.82 -56.11 17.89 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.515 HG23 HD11 ' A' ' 85' ' ' LEU . 75.4 mt -54.59 -34.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.508 176.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' A' ' 110' ' ' ALA . 26.5 t70 -57.81 -39.92 78.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.9 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.2 p -61.97 -24.63 67.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -86.17 -33.94 20.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.155 0.502 . . . . 0.0 110.42 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.522 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 49.5 mm -93.36 -36.29 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.06 -172.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 26.5 t70 -76.06 -19.07 58.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.745 -173.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 p -79.32 103.94 1.91 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-O 121.022 0.439 . . . . 0.0 111.143 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 38.4 Cg_endo -67.74 -40.39 9.92 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.455 2.104 . . . . 0.0 111.988 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.33 -39.13 93.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.209 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.444 ' HE1' HD22 ' A' ' 86' ' ' LEU . 6.6 t80 -75.94 -38.66 57.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.431 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.835 HG21 ' HD3' ' A' ' 52' ' ' ARG . 30.6 m -72.9 -45.78 56.33 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.198 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.23 -36.5 82.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.609 0.242 . . . . 0.0 111.285 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.7 p -71.53 -18.67 62.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.628 0.251 . . . . 0.0 111.176 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 73.0 t80 -94.26 -39.37 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.39 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.75 106.61 1.14 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.676 -0.569 . . . . 0.0 111.676 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.77 -32.89 74.68 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.899 0.38 . . . . 0.0 111.34 -176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.27 18.15 22.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.017 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.3 t -108.78 138.71 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.016 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 79.9 t -76.03 127.63 84.81 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.271 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.557 ' HG2' HG11 ' A' ' 55' ' ' VAL . 52.9 Cg_exo -53.8 107.17 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.019 2.479 . . . . 0.0 112.521 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.401 ' CD2' ' HB3' ' A' ' 2' ' ' PRO . 32.1 p90 -105.34 158.52 16.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.172 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -64.36 139.28 58.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.196 0.522 . . . . 0.0 110.53 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -75.19 -7.45 53.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.187 -173.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -84.31 52.46 4.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.226 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.49 -42.27 95.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.048 0.451 . . . . 0.0 110.708 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.75 149.62 22.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.471 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 11.9 p80 37.96 70.05 0.21 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.277 0.986 . . . . 0.0 112.251 -176.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -65.13 117.76 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.675 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -76.68 97.52 4.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.582 0.706 . . . . 0.0 111.805 -175.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -137.6 29.95 2.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -142.56 106.06 4.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.388 -175.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.33 -179.331 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.431 ' HB3' ' HD2' ' A' ' 2' ' ' PRO . 24.9 mmt . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 1' ' ' MET . 41.7 Cg_endo -67.81 155.08 71.27 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.166 1.91 . . . . 0.0 111.48 176.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 45.3 t -79.24 105.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -99.44 116.9 32.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.601 -176.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.513 HD13 HG21 ' A' ' 17' ' ' VAL . 50.6 tp -86.83 100.21 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.453 ' HG2' ' H ' ' A' ' 8' ' ' ASN . 57.7 ttp180 -76.92 139.0 40.06 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.25 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.16 -33.12 57.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.221 0.534 . . . . 0.0 110.988 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.453 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 27.2 t-20 -86.86 92.09 8.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 168.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -126.89 162.27 26.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.366 0.603 . . . . 0.0 111.511 -174.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.2 t -113.65 167.49 10.57 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.8 -20.18 65.58 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.048 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.88 -45.01 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.194 0.521 . . . . 0.0 109.807 172.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.438 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.9 m-20 -68.48 -42.22 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.738 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.29 -49.15 78.73 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.362 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.68 -38.54 85.29 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.884 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.1 m -60.1 -42.58 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.984 0.421 . . . . 0.0 110.677 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.513 HG21 HD13 ' A' ' 5' ' ' LEU . 77.2 t -64.13 -56.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.171 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.6 pt -65.3 -38.52 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -71.79 -24.68 61.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.79 -32.58 59.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.005 0.431 . . . . 0.0 110.377 176.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 17' ' ' VAL . 57.8 t -79.14 -56.11 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.595 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -66.43 -75.98 0.09 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.434 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 65.48 -69.44 0.1 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.003 -174.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 62.81 -81.87 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.304 0.642 . . . . 0.0 111.308 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t 67.26 -61.16 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 123.517 0.727 . . . . 0.0 111.477 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -64.74 147.7 52.6 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.16 69.36 1.38 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -167.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 7.4 t30 -116.74 168.56 10.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.143 -169.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 5.7 m-20 77.84 -39.24 0.28 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.625 0.77 . . . . 0.0 111.23 176.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -100.94 152.76 20.17 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.14 132.25 34.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.816 0.341 . . . . 0.0 110.479 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.4 140.15 41.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.062 176.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.55 -167.03 1.77 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.9 p 52.59 73.8 0.32 Allowed 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.706 0.802 . . . . 0.0 111.176 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -67.62 128.98 38.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.68 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -121.99 -46.56 2.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.853 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.512 HD13 HG22 ' A' ' 58' ' ' VAL . 89.4 mt -92.75 1.82 57.07 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 87.4 t -67.85 -28.32 41.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.244 0.545 . . . . 0.0 109.963 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 p -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.286 172.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.7 -50.69 70.14 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.163 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 38' ' ' VAL . 10.2 pt-20 -64.08 -30.68 71.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.225 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m -68.84 -42.49 77.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.222 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.17 -39.9 95.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.23 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.13 -41.79 98.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.274 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.8 ttm-85 -63.28 -30.57 71.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.004 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -85.29 -11.86 53.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.53 21.63 71.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.472 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -79.95 -38.2 32.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.63 153.99 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.14 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.7 p -84.4 165.35 18.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.708 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.458 ' HB ' ' HA ' ' A' ' 128' ' ' TRP . 57.9 t -60.93 -29.68 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.918 0.39 . . . . 0.0 110.181 177.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.602 ' HG2' HG23 ' A' ' 116' ' ' ILE . 17.1 ttp180 -53.63 -47.86 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.51 176.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.12 -42.95 88.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.369 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 58' ' ' VAL . 88.7 t80 -60.61 -51.75 68.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.402 -177.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.0 t -58.7 -42.66 85.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.886 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' HB2' HG21 ' A' ' 116' ' ' ILE . 42.1 ttp180 -59.97 -49.19 78.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.81 86.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.503 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.512 HG22 HD13 ' A' ' 37' ' ' LEU . 60.8 t -67.61 -42.99 87.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.911 0.386 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.35 96.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.76 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 20.0 ptmt -93.91 16.13 15.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.795 0.331 . . . . 0.0 111.258 -177.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.5 t -85.83 168.56 14.15 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 120.855 0.359 . . . . 0.0 110.34 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.87 79.36 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.533 . . . . 0.0 111.613 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.87 -47.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.237 0.542 . . . . 0.0 110.449 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.526 ' HA ' ' HD2' ' A' ' 68' ' ' PHE . 43.8 p90 -67.13 -19.24 65.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.972 -176.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -55.52 -30.81 61.36 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.98 -18.92 55.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -173.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -155.4 -56.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.912 -173.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.526 ' HD2' ' HA ' ' A' ' 64' ' ' TYR . 17.5 m-85 -74.4 75.91 1.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.068 -172.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 tp 177.31 -30.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.542 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -94.54 152.45 18.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.251 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.41 -108.09 1.74 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.441 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -161.53 175.81 11.72 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 63.76 94.92 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.934 0.771 . . . . 0.0 111.733 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -66.16 -25.44 66.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.626 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 p -57.27 -39.81 76.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.874 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 40.4 ttm180 -56.73 -47.37 80.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.844 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.19 -46.69 95.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.567 HD12 HD23 ' A' ' 100' ' ' LEU . 50.1 mt -65.15 -39.29 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 31.5 mt-10 -64.66 -25.01 67.77 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.012 177.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 90.7 mt -79.92 -41.99 25.0 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 120.705 0.288 . . . . 0.0 110.614 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -56.1 -50.7 70.31 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.484 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 10.2 m-30 -73.42 -19.79 60.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.824 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.877 ' HD3' ' HB2' ' A' ' 88' ' ' ARG . 22.7 tptp -58.96 -32.58 69.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 171.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -89.08 -25.83 21.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.198 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 131' ' ' PRO . 95.0 mt -101.24 -53.47 3.01 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -171.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.5 mt -114.04 9.29 17.29 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.413 ' HA3' ' H ' ' A' ' 134' ' ' ARG . . . 81.87 41.12 9.88 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.21 -0.995 . . . . 0.0 111.774 -177.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.877 ' HB2' ' HD3' ' A' ' 83' ' ' LYS . 16.2 ttt180 79.53 -82.73 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.142 1.377 . . . . 0.0 112.385 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.414 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . . . -81.71 126.65 75.15 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.961 -165.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -61.63 177.79 0.84 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 123.125 2.55 . . . . 0.0 111.857 174.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.507 ' HE2' HD12 ' A' ' 136' ' ' LEU . 32.2 t80 -97.61 -51.05 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.218 -174.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 96' ' ' VAL . 29.7 t70 -117.89 149.01 41.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.798 0.332 . . . . 0.0 111.011 -173.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.555 ' O ' HG12 ' A' ' 97' ' ' ILE . 30.6 tt0 -69.77 -41.51 75.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.426 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.6 t -66.1 -36.17 82.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.541 ' HB3' ' O ' ' A' ' 92' ' ' ASP . 1.5 tm-20 -56.36 -49.42 74.48 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.078 172.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.691 ' HA ' ' CE1' ' A' ' 99' ' ' HIS . 54.3 t -52.65 -51.85 31.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 176.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 93' ' ' GLU . 33.0 mm -57.14 -39.49 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.874 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -55.59 -52.76 62.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.218 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.691 ' CE1' ' HA ' ' A' ' 96' ' ' VAL . 8.0 p80 -82.43 -16.42 49.03 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.708 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 78' ' ' ILE . 19.2 mt -58.36 -48.98 78.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.927 0.394 . . . . 0.0 110.025 170.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.98 -46.24 85.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.062 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.521 ' HB3' ' HA ' ' A' ' 99' ' ' HIS . 59.0 tp -55.34 -47.07 76.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.358 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.402 ' HD1' ' HA ' ' A' ' 108' ' ' PHE . 10.6 t80 -60.53 -48.71 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.866 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.64 -37.98 59.23 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.972 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -83.47 -53.5 5.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -90.72 -36.41 14.33 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.401 -174.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.63 166.26 11.45 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.168 -1.015 . . . . 0.0 113.092 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.402 ' HA ' ' HD1' ' A' ' 103' ' ' TYR . 0.8 OUTLIER -61.74 -33.0 73.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 111.314 178.449 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -67.1 -36.18 81.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.398 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.46 76.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.704 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.492 ' OD1' ' HB2' ' A' ' 99' ' ' HIS . 14.9 t70 -58.73 -42.65 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.36 0.6 . . . . 0.0 110.095 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 85' ' ' LEU . 85.0 mt -71.83 -35.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.333 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.446 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 97.8 m-20 -68.53 -26.73 65.57 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.0 p -56.48 -59.12 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.714 0.292 . . . . 0.0 111.651 -174.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -61.94 -37.12 83.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.602 HG23 ' HG2' ' A' ' 52' ' ' ARG . 44.0 mm -73.89 -47.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.834 -174.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.65 -24.45 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.795 0.331 . . . . 0.0 111.141 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 m -79.71 115.32 52.81 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.498 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.78 -55.95 2.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.309 2.673 . . . . 0.0 113.484 -172.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.61 -32.0 73.46 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -65.1 -44.79 87.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.013 0.435 . . . . 0.0 110.244 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.495 HG21 ' HG3' ' A' ' 52' ' ' ARG . 87.1 m -70.07 -36.4 74.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.308 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.15 -34.31 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.865 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.3 p -70.95 -10.52 59.84 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -113.39 -38.72 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.797 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.99 128.82 3.0 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.93 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.77 -24.97 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.311 0.577 . . . . 0.0 110.812 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.458 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 80.8 m95 -122.25 19.14 10.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.15 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.53 132.42 61.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.796 -174.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 96.1 t -73.83 127.87 87.65 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.225 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.543 ' HB3' ' O ' ' A' ' 85' ' ' LEU . 93.0 Cg_exo -47.43 140.63 15.51 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.846 3.031 . . . . 0.0 113.894 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.64 ' CE1' ' HA2' ' A' ' 135' ' ' GLY . 26.9 p90 -110.2 174.6 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.918 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.475 ' HE2' ' HE2' ' A' ' 83' ' ' LYS . 5.0 t80 -83.95 141.03 31.54 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.413 ' H ' ' HA3' ' A' ' 87' ' ' GLY . 8.3 tpm_? 60.82 74.02 0.46 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.589 0.709 . . . . 0.0 111.055 -177.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.64 ' HA2' ' CE1' ' A' ' 132' ' ' TYR . . . -69.83 119.02 8.66 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.584 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.507 HD12 ' HE2' ' A' ' 91' ' ' TYR . 53.8 tp -110.8 106.22 15.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.698 0.285 . . . . 0.0 110.702 -177.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.6 131.82 40.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -88.13 117.53 27.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.628 0.728 . . . . 0.0 111.471 -171.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -116.01 164.16 14.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -99.8 -66.98 0.87 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -171.33 120.64 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -64.05 135.43 56.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.259 0.552 . . . . 0.0 111.021 -173.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 . . . . . 0 C--O 1.244 0.815 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.099 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.657 0.265 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -88.16 176.43 3.74 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.027 2.485 . . . . 0.0 111.834 174.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -82.65 112.13 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.479 ' HB3' HG22 ' A' ' 129' ' ' VAL . 10.9 pt-20 -139.61 153.34 47.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.751 -178.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' HB2' HG11 ' A' ' 17' ' ' VAL . 62.2 tp -87.03 143.62 27.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.154 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -99.74 151.92 20.69 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.96 -39.17 87.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.87 81.2 4.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.628 170.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -99.21 155.79 17.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.423 0.63 . . . . 0.0 111.489 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.519 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 m -107.99 168.92 8.94 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.102 174.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.29 -55.72 31.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.788 0.327 . . . . 0.0 110.785 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.87 -37.63 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.499 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.519 ' HB3' ' H ' ' A' ' 10' ' ' SER . 32.8 t70 -62.03 -48.65 79.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.7 tp -59.24 -42.73 91.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.361 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.61 -37.18 82.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.274 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -62.87 -40.77 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.34 . . . . 0.0 110.621 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.538 HG11 ' HB2' ' A' ' 5' ' ' LEU . 59.0 t -67.5 -47.51 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.45 -44.92 93.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.682 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -61.4 -33.88 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.4 87.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.378 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.63 -56.01 11.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.132 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.464 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -160.35 143.98 13.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.158 0.504 . . . . 0.0 111.103 179.531 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.8 tpt85 -151.36 -37.55 0.13 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.489 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.456 ' HG3' ' H ' ' A' ' 25' ' ' VAL . 40.6 tp60 -160.51 -134.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -178.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.456 ' H ' ' HG3' ' A' ' 24' ' ' GLN . 15.9 t 67.26 48.01 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 122.017 0.913 . . . . 0.0 109.966 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.5 mt -109.05 -47.97 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.627 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.3 -164.8 36.9 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -177.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -111.21 -32.22 6.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.028 0.414 . . . . 0.0 111.287 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -166.78 102.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 111.403 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -171.59 80.87 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.079 175.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t 48.69 83.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.158 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.2 103.38 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.441 . . . . 0.0 110.57 178.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.57 155.91 34.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.673 -176.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -79.17 175.52 10.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.836 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.643 ' HG3' ' HB ' ' A' ' 38' ' ' VAL . 7.6 tp10 -74.6 98.17 3.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.279 0.561 . . . . 0.0 110.228 -176.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 36' ' ' ARG . 16.2 ttt180 -94.54 -31.78 13.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.429 -176.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.4 mt -93.68 20.72 7.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.944 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.643 ' HB ' ' HG3' ' A' ' 35' ' ' GLU . 10.5 p -57.6 -31.95 40.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.244 0.545 . . . . 0.0 110.611 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.528 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 17.8 m -63.31 -38.07 89.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.589 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.56 56.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -67.42 -28.66 68.09 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.623 -178.554 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -70.09 -43.61 70.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.486 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 39' ' ' SER . 92.7 mt -62.81 -40.26 96.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.802 0.334 . . . . 0.0 110.567 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.59 -37.32 79.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -65.22 -26.63 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.018 -178.456 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -98.98 3.75 47.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.74 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.27 21.8 72.36 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.986 -0.552 . . . . 0.0 113.187 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -79.41 -39.69 31.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.983 0.392 . . . . 0.0 110.293 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 49.6 pt -108.69 149.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.285 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.3 p -86.67 172.09 10.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.477 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.85 -35.85 67.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' HG3' HG23 ' A' ' 116' ' ' ILE . 2.9 ttp180 -48.55 -49.96 34.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.807 172.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 24.6 mt-10 -80.99 -33.55 33.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.205 -175.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 75.4 t80 -62.58 -53.22 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.526 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.22 -40.23 85.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.995 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 38.1 ttt180 -55.58 -56.62 18.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.222 179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.97 27.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.575 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.2 -42.77 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.15 -29.17 61.67 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -173.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . 19.0 ptmt -107.37 7.34 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.166 -0.614 . . . . 0.0 112.11 -173.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 p -98.66 -92.18 0.26 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -103.01 26.22 8.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.386 -164.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.2 mt -78.32 96.78 5.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.095 0.474 . . . . 0.0 110.095 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -74.9 155.75 37.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.355 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HB3' HD23 ' A' ' 69' ' ' LEU . 23.1 pttp -83.92 143.99 29.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.28 -178.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 175.02 -66.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.978 -1.01 . . . . 0.0 108.889 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -75.68 -23.21 56.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.356 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.5 ' HB2' HG13 ' A' ' 77' ' ' VAL . 36.2 p90 -142.8 162.2 36.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.851 174.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD23 ' HB3' ' A' ' 65' ' ' LYS . 46.9 tp 66.08 89.59 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.057 0.848 . . . . 0.0 110.873 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -166.76 -71.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.748 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.98 28.0 0.35 Allowed Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 1.1 m-20 -96.43 19.0 12.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.343 -0.429 . . . . 0.0 110.039 -174.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 72' ' ' ASN . 92.6 m-85 73.06 131.27 0.04 OUTLIER 'General case' 0 C--O 1.235 0.301 0 O-C-N 124.13 0.894 . . . . 0.0 109.886 -170.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -62.66 -33.94 76.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.189 -175.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 p -56.23 -51.47 68.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 10.9 mmm180 -53.84 -44.29 70.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.187 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.5 HG13 ' HB2' ' A' ' 68' ' ' PHE . 41.2 t -63.09 -45.14 99.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.642 HG21 ' HB3' ' A' ' 99' ' ' HIS . 84.4 mt -64.71 -53.99 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.987 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -31.45 70.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.46 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 33.0 mt -59.43 -48.45 81.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.177 0.513 . . . . 0.0 110.5 174.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.83 -48.78 77.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.34 -39.57 87.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.502 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.08 -35.39 78.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.897 0.38 . . . . 0.0 110.763 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -84.39 -18.52 35.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.435 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.8 mt -100.87 -27.4 13.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.0 mt -100.81 -22.9 14.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.523 0.201 . . . . 0.0 111.333 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 67.94 27.07 73.75 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -173.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -154.08 -168.07 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.82 -174.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.17 158.07 75.26 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.16 140.95 60.1 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.762 2.308 . . . . 0.0 112.038 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -89.28 -37.52 14.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.438 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.621 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 30.9 t70 -125.67 158.57 34.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.162 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.61 -28.09 41.0 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.451 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.2 m -68.83 -24.73 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.575 0.226 . . . . 0.0 111.334 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 13.8 pt-20 -73.5 -27.48 61.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.81 -45.62 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.239 0.542 . . . . 0.0 109.696 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.33 -38.19 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.807 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.22 -40.07 96.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.714 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.642 ' HB3' HG21 ' A' ' 78' ' ' ILE . 60.3 m170 -57.92 -50.49 73.17 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.18 0.514 . . . . 0.0 109.93 176.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.3 mt -55.72 -46.3 77.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.699 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.25 -44.58 75.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.871 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 111' ' ' ASP . 56.9 tp -59.32 -42.21 90.89 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.485 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -57.0 -43.95 82.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.08 176.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.61 -33.34 64.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.558 -177.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -79.1 -58.79 3.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 111.362 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -100.11 -36.55 9.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.937 -170.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 135.33 175.39 13.82 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.042 -1.075 . . . . 0.0 113.337 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -69.37 -42.13 75.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 110.623 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.598 ' HB2' ' HB2' ' A' ' 60' ' ' LYS . 4.1 p30 -69.45 -24.34 63.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.902 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.33 59.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.04 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.497 ' HA ' HD23 ' A' ' 102' ' ' LEU . 21.3 t70 -64.35 -51.57 62.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.837 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.0 mt -54.45 -31.74 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.166 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 14.1 t70 -72.63 -20.66 61.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.006 -173.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.4 p -52.48 -42.61 64.4 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -171.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.35 -43.28 96.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 111.471 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.472 HG23 ' HG3' ' A' ' 52' ' ' ARG . 50.9 mt -89.33 -11.63 10.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.709 0.766 . . . . 0.0 110.052 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.46 -30.59 59.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.222 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.2 m -90.81 105.81 13.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.391 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.68 -45.86 27.02 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.863 2.375 . . . . 0.0 112.927 -174.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.34 -41.8 90.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.37 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.89 -53.75 51.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.099 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 29.2 m -62.59 -47.7 82.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 110.982 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -63.9 -47.7 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.273 -175.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.4 m -77.66 -18.92 56.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -172.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -92.22 -39.28 11.63 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.152 177.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.26 100.89 0.23 Allowed Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.889 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.83 -31.44 70.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.096 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -99.68 3.26 45.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.479 HG22 ' HB3' ' A' ' 4' ' ' GLU . 49.4 t -101.43 139.71 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.033 0.445 . . . . 0.0 111.812 -171.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.77 127.92 58.3 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.365 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.15 128.99 24.02 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.676 2.917 . . . . 0.0 114.013 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.503 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 18.4 p90 -130.28 166.91 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.045 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.73 124.94 26.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.382 0.61 . . . . 0.0 110.85 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -86.78 141.69 28.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.836 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 101.95 37.5 3.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.742 171.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.506 HD23 ' H ' ' A' ' 136' ' ' LEU . 2.7 pt? -70.8 -30.75 67.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.275 0.559 . . . . 0.0 110.392 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.13 -19.49 39.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.408 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -95.4 9.41 40.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.103 -172.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -127.93 140.99 51.67 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -139.97 110.62 6.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.102 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 57.92 31.6 20.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.994 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.3 m80 66.52 10.74 7.59 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.188 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 77.6 t60 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.885 -0.579 . . . . 0.0 109.467 177.371 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.558 ' N ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 1' ' ' MET . 50.8 Cg_endo -72.12 179.36 5.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 CA-C-N 120.467 1.203 . . . . 0.0 109.191 161.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.9 t -72.14 97.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.926 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.9 151.23 51.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.058 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.596 HD13 HG21 ' A' ' 17' ' ' VAL . 34.6 tp -106.14 116.81 32.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.383 . . . . 0.0 110.144 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -80.82 160.17 24.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.096 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.28 -54.9 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.755 0.312 . . . . 0.0 111.007 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -96.28 88.39 4.77 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 44.6 p-90 -98.36 159.08 15.18 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.291 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -103.46 176.12 5.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 44.8 mm-40 -59.64 -38.84 82.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.649 0.261 . . . . 0.0 110.651 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.46 -38.4 77.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.914 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 9' ' ' TRP . 5.8 m-20 -64.31 -54.01 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.846 176.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.5 ' O ' HG12 ' A' ' 18' ' ' ILE . 52.5 tp -56.3 -46.81 79.63 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.856 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 53.6 mm-40 -52.99 -57.2 11.14 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.36 177.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.6 m -57.56 -40.02 78.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.722 -176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.596 HG21 HD13 ' A' ' 5' ' ' LEU . 50.2 t -59.93 -62.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-O 120.91 0.386 . . . . 0.0 111.35 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 14' ' ' LEU . 16.6 pt -69.23 -27.39 34.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.317 -175.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 42.4 ttt85 -72.22 -31.12 65.56 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.315 0.384 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.18 -37.18 78.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.92 176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.28 -61.43 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.293 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.512 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -162.15 -154.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -176.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -110.88 139.26 46.35 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.924 -0.485 . . . . 0.0 109.809 172.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.863 ' HG2' ' H ' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -71.5 -74.49 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.26 -171.807 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.863 ' H ' ' HG2' ' A' ' 24' ' ' GLN . 15.4 t -122.96 160.65 25.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -175.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.1 mt -72.32 85.29 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.96 -87.45 1.26 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.445 -175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -172.23 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 t70 64.21 -165.02 0.24 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.817 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -125.56 -33.52 2.77 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.6 t -134.92 96.98 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.619 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.29 136.08 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.97 23.93 13.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.44 -175.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.683 ' HA ' HG11 ' A' ' 38' ' ' VAL . 35.4 t 62.35 74.37 0.44 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.881 -177.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -69.58 -89.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.911 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -145.29 128.56 16.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 61' ' ' SER . 97.6 mt 68.75 7.68 6.28 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 171.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.683 HG11 ' HA ' ' A' ' 34' ' ' SER . 14.8 p -65.87 -26.71 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 109.687 176.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.2 t -69.06 -40.26 78.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.09 175.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.57 86.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.904 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.23 -48.78 80.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.91 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 p -66.98 -40.73 87.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.577 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.87 -35.0 79.2 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.139 -0.224 . . . . 0.0 110.917 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.0 tp -71.02 -38.32 72.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.126 0.488 . . . . 0.0 109.921 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' O ' ' HZ2' ' A' ' 9' ' ' TRP . 41.5 ttp180 -61.94 -46.64 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.647 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -67.89 -29.37 68.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.13 0.49 . . . . 0.0 110.703 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.59 24.23 28.84 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.008 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -83.23 -28.6 29.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.088 0.47 . . . . 0.0 109.964 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.556 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 48.0 pt -121.73 153.47 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.609 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 59.6 p -92.93 -179.18 5.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.542 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 130' ' ' VAL . 61.5 t -65.14 -33.92 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.044 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HD2' HG21 ' A' ' 122' ' ' THR . 27.7 ttt180 -55.12 -48.23 73.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.353 174.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.556 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 6.2 mm-40 -72.0 -37.71 69.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.746 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.512 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 82.8 t80 -57.75 -54.32 48.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.272 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.78 -38.58 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.938 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.553 ' HD3' HG21 ' A' ' 116' ' ' ILE . 30.8 ttp85 -57.63 -46.19 84.47 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.76 -43.33 69.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.085 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.459 HG22 HD13 ' A' ' 37' ' ' LEU . 69.2 t -62.94 -50.63 78.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.99 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.55 -34.94 70.43 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 37.0 ttmt -90.55 12.45 18.7 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.887 0.375 . . . . 0.0 111.595 -177.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.552 ' HB3' HD21 ' A' ' 37' ' ' LEU . 81.2 p -74.48 -13.4 60.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.001 -0.437 . . . . 0.0 111.136 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 57.52 79.27 0.2 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.5 -176.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.77 156.21 20.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.377 173.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.427 ' HD2' ' HG2' ' A' ' 66' ' ' GLU . 64.9 t80 -52.9 131.99 36.51 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' HA ' ' HE1' ' A' ' 68' ' ' PHE . 28.1 mmtp -75.71 77.54 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.127 -172.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HG2' ' HD2' ' A' ' 64' ' ' TYR . 35.3 mt-10 -87.97 -161.44 0.72 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.828 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -72.94 80.05 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.843 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.413 ' HE1' ' HA ' ' A' ' 65' ' ' LYS . 28.9 p90 -152.06 -34.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.568 173.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.729 HD12 HG11 ' A' ' 77' ' ' VAL . 54.2 tp -96.13 -1.55 48.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.659 0.742 . . . . 0.0 109.93 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -137.29 137.2 38.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.603 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.17 -131.55 2.38 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.925 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -80.3 -52.12 8.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.612 0.244 . . . . 0.0 111.542 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -131.22 142.32 50.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -83.13 -26.09 31.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.682 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.42 HG22 HD11 ' A' ' 100' ' ' LEU . 22.0 p -60.16 -41.48 92.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.068 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -72.35 -22.83 61.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.731 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.729 HG11 HD12 ' A' ' 69' ' ' LEU . 62.6 t -66.31 -49.14 78.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.533 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 73.5 mt -61.91 -40.58 87.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.805 175.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.01 -39.2 81.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.02 -54.95 40.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.045 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -67.24 -42.91 83.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.361 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.533 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.2 t80 -56.31 -48.99 75.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.825 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.525 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 77.8 tttt -69.04 -32.39 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.21 -175.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -82.75 -36.37 25.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.078 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 97.7 mt -83.46 -53.91 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -176.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.7 mt -82.81 -11.16 58.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.163 -0.336 . . . . 0.0 111.155 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.718 ' CA ' ' HA ' ' A' ' 133' ' ' TYR . . . 70.59 15.12 72.97 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.254 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 44.4 mtm105 -127.86 138.53 52.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.581 -0.309 . . . . 0.0 110.331 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.525 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . . . -80.81 129.13 69.25 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 4.0 Cg_exo -40.86 108.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.554 2.836 . . . . 0.0 112.496 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -84.91 -34.03 22.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.064 -173.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -117.71 141.12 48.76 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.247 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -64.29 -23.4 67.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.587 0.232 . . . . 0.0 110.687 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 m -60.88 -35.3 76.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.529 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.28 -43.74 98.38 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.342 0.592 . . . . 0.0 109.744 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.7 t -70.46 -51.14 40.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.789 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 70.4 mt -59.74 -39.44 79.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.178 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.02 -51.26 68.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.616 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.459 ' HD1' ' CG ' ' A' ' 111' ' ' ASP . 36.9 m-70 -69.64 -37.65 76.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.311 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 75' ' ' THR . 82.7 mt -56.09 -49.19 74.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.977 0.418 . . . . 0.0 110.551 175.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.67 -48.32 81.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.293 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 111' ' ' ASP . 58.9 tp -62.86 -42.39 99.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.112 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -58.07 -41.65 83.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.01 0.433 . . . . 0.0 110.747 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.93 -33.85 72.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.16 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -76.6 -58.5 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.817 -176.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -105.9 -37.06 6.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.88 -171.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.46 -173.44 15.99 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.309 -0.948 . . . . 0.0 113.028 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.5 -45.58 86.66 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.718 0.407 . . . . 0.0 111.968 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -64.41 -32.34 73.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 111.161 -173.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.46 -33.08 42.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.231 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.515 ' HA ' HD23 ' A' ' 102' ' ' LEU . 18.6 t70 -63.59 -47.58 80.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.283 0.563 . . . . 0.0 109.575 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' A' ' 115' ' ' TYR . 32.1 mm -57.57 -37.84 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.635 173.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.82 -40.63 97.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.384 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.7 p -63.39 -29.63 70.89 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 110.931 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 24.5 t80 -62.88 -34.62 77.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.769 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.553 HG21 ' HD3' ' A' ' 56' ' ' ARG . 40.0 mm -92.79 -24.07 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.286 0.565 . . . . 0.0 110.574 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.44 -19.43 59.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.761 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.541 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 5.1 p -78.8 111.01 16.33 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 121.175 0.512 . . . . 0.0 110.915 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.19 -52.34 2.13 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.038 2.492 . . . . 0.0 113.541 -172.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.62 -34.71 78.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.781 -175.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 118' ' ' SER . 81.9 m-85 -68.0 -34.24 76.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.939 177.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.439 HG21 ' HD2' ' A' ' 52' ' ' ARG . 66.0 m -65.63 -44.19 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.098 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.58 -25.17 64.37 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.336 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 m -62.84 -19.31 63.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.387 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.402 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 99.0 m-85 -121.67 -40.31 2.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 103.3 -167.63 17.0 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.676 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.609 ' O ' ' HB ' ' A' ' 50' ' ' THR . 1.6 m-20 -103.38 -11.28 17.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -121.26 10.29 10.59 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.791 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 125' ' ' PHE . 94.0 t -114.22 135.22 54.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.52 ' O ' ' HD1' ' A' ' 132' ' ' TYR . 68.6 t -83.59 128.2 64.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.426 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.95 117.24 3.19 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.045 2.496 . . . . 0.0 111.851 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.52 ' HD1' ' O ' ' A' ' 130' ' ' VAL . 40.9 p90 -130.51 158.4 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.432 -174.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.718 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 40.9 p90 -69.31 148.4 49.78 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -42.57 132.62 3.6 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.782 0.676 . . . . 0.0 111.792 -174.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -78.51 57.48 4.15 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.502 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.2 mp 61.42 -93.36 0.04 OUTLIER 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.08 0.552 . . . . 0.0 110.619 -174.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -178.91 171.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.371 0.419 . . . . 0.0 110.347 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 50.1 70.96 0.44 Allowed 'General case' 0 C--O 1.235 0.331 0 O-C-N 124.195 0.934 . . . . 0.0 112.412 168.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -71.65 -27.92 63.4 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -68.36 132.52 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 172.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -74.68 -74.24 0.21 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -169.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -128.9 144.6 51.22 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.789 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 . . . . . 0 C--O 1.247 0.955 0 O-C-N 123.868 0.73 . . . . 0.0 110.916 178.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.52 170.33 10.44 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.07 2.513 . . . . 0.0 111.63 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.34 106.61 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.752 ' HB3' HG22 ' A' ' 129' ' ' VAL . 1.2 pm0 -111.15 155.25 23.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.291 0.567 . . . . 0.0 111.307 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.1 tp -91.54 127.83 37.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -85.36 153.15 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.024 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.36 92.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.632 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -97.79 85.17 3.49 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 172.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -104.36 164.82 11.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.312 -176.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.483 ' HB3' ' OD1' ' A' ' 13' ' ' ASP . 23.2 t -125.82 177.22 6.42 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.09 -41.14 91.05 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -173.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 8.8 pt-20 -72.58 -37.31 68.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -173.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' A' ' 10' ' ' SER . 0.9 OUTLIER -74.39 -34.08 63.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.456 176.759 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.71 -44.41 96.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.233 0.54 . . . . 0.0 109.604 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.98 -38.92 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.104 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -66.2 -42.44 88.82 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 21' ' ' VAL . 96.2 t -59.81 -52.36 61.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.41 177.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.9 -43.42 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.793 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 23' ' ' ARG . 37.2 ttm105 -62.12 -39.34 92.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.309 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HA ' ' OE1' ' A' ' 24' ' ' GLN . . . -65.84 -29.49 69.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.248 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 17' ' ' VAL . 54.7 t -80.12 -35.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.344 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -100.54 -91.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -175.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 4.6 mmp_? -130.56 131.42 45.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.739 0.304 . . . . 0.0 111.342 -170.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.474 ' OE1' ' HA ' ' A' ' 20' ' ' ALA . 13.9 mm100 -90.52 63.4 5.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.311 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.2 t 72.08 -55.12 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.455 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -69.75 134.46 48.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.045 0.45 . . . . 0.0 110.563 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.64 86.11 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -100.31 -15.08 18.15 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.685 0.278 . . . . 0.0 111.44 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -131.31 162.74 29.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.401 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 70.75 -2.02 2.41 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.589 0.755 . . . . 0.0 111.734 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -88.87 102.5 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.658 0.742 . . . . 0.0 110.876 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.2 ttp -128.23 129.48 46.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.252 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 68.7 113.56 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.996 0.81 . . . . 0.0 110.197 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 p -74.03 70.3 1.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.338 -174.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -157.43 135.82 11.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.46 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -101.85 75.6 1.56 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp 44.24 74.98 0.11 Allowed 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.012 0.82 . . . . 0.0 111.326 -175.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.667 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 11.0 p -61.44 -27.49 42.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.136 -175.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.671 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.3 t -66.14 -45.58 80.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.952 0.406 . . . . 0.0 109.984 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.88 64.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.543 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.667 ' HG2' ' HA ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -62.49 -40.45 96.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.24 -177.281 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.523 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 19.1 p -69.65 -35.71 75.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 39' ' ' SER . 91.6 mt -61.88 -50.62 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 175.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.81 -37.08 83.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.044 0.449 . . . . 0.0 110.351 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.744 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.39 -0.75 57.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 111.362 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.3 26.08 60.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.562 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.17 -41.38 70.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 109.942 176.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.763 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 37.6 pt -125.0 171.0 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.378 -177.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.455 HG22 ' CZ2' ' A' ' 128' ' ' TRP . 68.4 p -104.37 -175.7 2.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.383 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' CE3' ' A' ' 128' ' ' TRP . 79.8 t -63.51 -33.14 59.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.595 0.235 . . . . 0.0 110.529 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 56' ' ' ARG . 74.1 mtt180 -51.49 -56.06 15.42 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.97 174.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.763 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 4.7 mm-40 -67.38 -30.17 69.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.251 -175.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.575 ' O ' HG23 ' A' ' 58' ' ' VAL . 52.5 t80 -65.6 -54.79 22.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.009 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.32 -34.08 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.107 0.48 . . . . 0.0 109.899 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.514 ' HG3' HG13 ' A' ' 116' ' ' ILE . 66.0 ttt180 -54.6 -47.63 73.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.624 177.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.62 74.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.448 -178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 54' ' ' PHE . 21.4 t -67.91 -18.66 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.146 0.498 . . . . 0.0 111.565 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.74 -48.88 8.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' A' ' 112' ' ' ILE . 18.2 ptmt -90.11 -20.83 22.68 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.929 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m 56.47 -171.15 0.08 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -94.57 169.6 10.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.148 174.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.2 tp 72.55 -13.87 0.61 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.75 0.42 . . . . 0.0 112.074 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 71.83 -62.59 0.45 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.461 0.704 . . . . 0.0 111.018 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HG2' HD23 ' A' ' 69' ' ' LEU . 63.2 mttp -96.96 65.69 2.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -79.03 59.88 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.547 0.689 . . . . 0.0 110.327 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 69.45 -32.87 0.24 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.787 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -65.71 -31.62 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.021 0.438 . . . . 0.0 110.563 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.535 HD23 ' HG2' ' A' ' 65' ' ' LYS . 47.5 tp -97.12 75.54 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -100.71 -8.1 23.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.117 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.82 -131.9 10.71 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.04 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 m120 64.01 -80.08 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.076 0.551 . . . . 0.0 111.109 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -114.22 101.89 9.61 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.497 ' O ' HG12 ' A' ' 78' ' ' ILE . 57.5 tp60 -62.85 -33.91 76.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.921 -173.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -38.57 89.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.899 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.48 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 30.8 mtp180 -70.52 -33.48 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.947 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.504 ' HA ' HD12 ' A' ' 80' ' ' LEU . 59.1 t -62.61 -33.04 57.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.373 0.606 . . . . 0.0 109.739 176.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.577 HD12 ' CD2' ' A' ' 99' ' ' HIS . 34.6 mm -63.09 -50.67 78.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.664 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.96 -38.79 83.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.128 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 77' ' ' VAL . 95.3 mt -55.82 -48.17 75.89 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.979 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -65.84 -39.31 90.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.697 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' HD2' ' HD2' ' A' ' 88' ' ' ARG . 22.3 m-85 -63.27 -39.08 93.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.777 0.323 . . . . 0.0 111.373 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -80.45 -15.25 57.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.585 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -87.19 -41.11 13.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.827 178.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.544 HD11 HG23 ' A' ' 112' ' ' ILE . 18.7 mt -93.72 -53.94 3.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -173.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.9 mt -99.64 -1.87 36.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.702 0.287 . . . . 0.0 111.043 -172.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.544 ' HA3' ' HA ' ' A' ' 133' ' ' TYR . . . 58.56 33.7 73.03 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -174.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.512 ' HD2' ' HD2' ' A' ' 82' ' ' TYR . 18.3 mtt180 -87.68 149.48 24.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 112.094 -173.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.449 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . . . -110.61 114.66 54.63 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 161.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 6.0 Cg_exo -36.9 111.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.167 3.245 . . . . 0.0 113.422 -170.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -78.23 -47.64 17.54 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.451 -173.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 38.5 t70 -144.86 160.35 41.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.145 177.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.34 -21.28 65.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.666 -177.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.9 p -58.65 -42.39 88.26 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.652 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 8.9 pt-20 -64.88 -39.77 94.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.073 0.463 . . . . 0.0 109.848 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.422 HG13 HG21 ' A' ' 78' ' ' ILE . 74.8 t -62.67 -47.32 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.367 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.481 ' HA ' HD12 ' A' ' 100' ' ' LEU . 80.8 mt -59.99 -44.91 95.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.956 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -64.96 -32.85 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.988 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.577 ' CD2' HD12 ' A' ' 78' ' ' ILE . 8.4 t60 -76.24 -33.8 59.2 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 97' ' ' ILE . 86.8 mt -58.52 -44.01 89.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.958 0.409 . . . . 0.0 110.107 173.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.74 -45.36 94.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.104 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 111' ' ' ASP . 29.1 tp -61.23 -41.47 96.93 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.8 0.333 . . . . 0.0 110.305 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 108' ' ' PHE . 73.6 t80 -58.04 -44.86 87.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.909 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.77 -39.48 56.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.234 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -74.78 -52.82 10.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.108 -173.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -112.82 -36.67 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.014 -175.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.42 163.08 11.33 Favored Glycine 0 C--O 1.228 -0.232 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.696 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.555 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 45.6 p90 -64.97 -24.83 67.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.894 0.378 . . . . 0.0 111.399 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 6.3 p-10 -72.04 -32.05 66.74 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.17 -34.25 49.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.954 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.505 ' HA ' HD23 ' A' ' 102' ' ' LEU . 71.5 m-20 -47.67 -62.52 1.41 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.697 0.761 . . . . 0.0 109.885 171.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.544 HG23 HD11 ' A' ' 85' ' ' LEU . 96.8 mt -61.09 -38.97 80.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.572 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 2.9 t70 -71.98 -33.6 68.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.601 -173.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.4 p -59.49 -35.99 75.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.796 0.332 . . . . 0.0 111.725 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -73.39 -16.68 61.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.636 -174.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.514 HG13 ' HG3' ' A' ' 56' ' ' ARG . 48.6 mm -71.94 -26.4 25.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.268 0.556 . . . . 0.0 110.204 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -107.35 -11.33 15.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.211 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.3 p -55.52 132.68 71.04 Favored Pre-proline 0 C--O 1.238 0.466 0 CA-C-O 121.085 0.469 . . . . 0.0 111.433 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.09 -38.9 94.11 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.974 2.45 . . . . 0.0 112.484 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.17 -36.98 85.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.714 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.506 ' HE1' ' HG3' ' A' ' 131' ' ' PRO . 79.4 t80 -60.35 -55.7 30.4 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 177.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.0 m -63.25 -43.97 96.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.019 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -65.36 -47.08 77.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.089 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.4 m -84.54 -45.0 13.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.2 -40.07 8.96 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.387 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 107.21 -161.67 13.66 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.076 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -103.88 -51.13 3.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.719 0.295 . . . . 0.0 111.772 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.517 ' CE3' HG23 ' A' ' 51' ' ' VAL . 80.8 m95 -95.96 10.1 38.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.572 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.752 HG22 ' HB3' ' A' ' 4' ' ' GLU . 61.4 t -96.07 129.48 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.169 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 86.9 t -71.91 125.2 91.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.013 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.506 ' HG3' ' HE1' ' A' ' 121' ' ' TYR . 17.1 Cg_exo -65.22 102.37 0.45 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.681 2.254 . . . . 0.0 111.194 177.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -89.4 133.11 34.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.715 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.544 ' HA ' ' HA3' ' A' ' 87' ' ' GLY . 35.7 t80 -55.77 122.77 12.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 173.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.552 ' HG3' HH11 ' A' ' 134' ' ' ARG . 21.4 mmm-85 -62.81 -22.47 66.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.233 -172.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 136' ' ' LEU . . . 67.55 52.0 33.04 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -174.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 135' ' ' GLY . 95.9 mt 71.29 149.63 0.09 Allowed 'General case' 0 C--O 1.234 0.259 0 O-C-N 124.366 0.686 . . . . 0.0 110.563 -172.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -71.64 107.61 4.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.684 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -79.24 129.53 34.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.652 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -63.38 136.42 57.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -48.1 108.54 0.17 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -174.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -179.09 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.653 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.1 129.72 36.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.642 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.386 -175.392 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 16.7 tpt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 2.5 Cg_endo -81.71 155.32 18.13 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.067 2.511 . . . . 0.0 111.888 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -84.69 119.11 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.462 ' HG3' HG22 ' A' ' 129' ' ' VAL . 35.5 tt0 -125.86 137.13 53.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.912 0.387 . . . . 0.0 110.712 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 128' ' ' TRP . 28.5 tp -108.56 99.04 8.47 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.432 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 16.3 ptt180 -105.01 166.68 10.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.47 -177.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.88 46.0 0.16 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.265 0.555 . . . . 0.0 112.333 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -153.75 26.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.432 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 69.2 p-90 -82.22 144.57 30.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.751 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 m -94.82 160.3 14.66 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 169.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -60.09 -35.91 76.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.036 0.38 . . . . 0.0 110.348 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.92 -40.51 84.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.454 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.5 m-20 -72.06 -30.61 65.31 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.683 ' HG ' ' HG2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -61.04 -43.69 98.5 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 174.09 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.01 -33.78 76.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.545 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.4 m -62.18 -44.0 97.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.497 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.526 HG21 HD13 ' A' ' 5' ' ' LEU . 90.4 t -62.03 -53.15 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.331 -178.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 pt -63.68 -39.3 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.438 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -20.0 61.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.477 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.48 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 175.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.96 -42.48 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.569 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -82.29 -0.85 47.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.198 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 66.88 163.92 0.19 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.345 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -98.14 77.6 2.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.037 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 50.7 t -74.56 -53.17 17.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.881 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -177.98 -52.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.45 -47.41 0.23 Allowed Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -132.95 -178.54 5.0 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 172.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 28.7 t70 -120.25 17.88 12.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.989 0.423 . . . . 0.0 110.288 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 89.7 m-85 71.56 -55.07 0.67 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.546 -177.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.54 154.49 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 67.8 mtt -65.4 99.5 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.07 -16.85 13.71 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.872 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.3 m 73.41 -46.28 0.63 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.123 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 58.25 73.9 0.45 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 36' ' ' ARG . 46.6 mtt180 -93.8 -133.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.017 -173.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD21 ' OG ' ' A' ' 61' ' ' SER . 80.9 mt 64.37 27.03 13.66 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.319 0.581 . . . . 0.0 110.831 -176.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.23 -25.94 38.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.801 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 6.4 m -64.39 -42.9 95.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.162 176.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.74 64.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.3 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.38 -46.32 88.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.869 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -70.08 -43.78 70.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' SER . 82.7 mt -62.96 -28.66 70.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.538 0.209 . . . . 0.0 111.09 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.62 -46.75 65.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.137 177.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.683 ' HG2' ' HG ' ' A' ' 14' ' ' LEU . 63.6 mtt180 -65.31 -33.66 76.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 110.749 177.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' OD1' ' HE3' ' A' ' 48' ' ' LYS . 2.0 t-20 -82.51 -7.35 59.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.829 -177.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.07 32.98 77.72 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 113.156 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' HE3' ' OD1' ' A' ' 46' ' ' ASN . 93.7 mttt -96.96 -16.18 20.75 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.608 -0.348 . . . . 0.0 111.271 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 pp -131.81 155.35 41.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' ' HG2' ' A' ' 53' ' ' GLU . 76.4 p -89.14 172.72 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.2 t -65.02 -34.01 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.669 0.271 . . . . 0.0 110.825 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.721 ' HD2' ' CE2' ' A' ' 121' ' ' TYR . 61.9 mtm-85 -68.7 -32.01 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.313 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG2' ' OG1' ' A' ' 50' ' ' THR . 60.1 mm-40 -66.79 -37.8 85.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 110.042 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' VAL . 52.9 t80 -62.2 -45.34 93.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.564 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 51' ' ' VAL . 59.3 t -63.12 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.893 177.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.515 ' HB2' HG12 ' A' ' 116' ' ' ILE . 9.3 ttm180 -55.21 -46.81 75.93 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.213 0.53 . . . . 0.0 110.047 178.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.96 83.66 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.749 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' PHE . 63.8 t -59.74 -42.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.167 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB2' HD21 ' A' ' 85' ' ' LEU . . . -64.37 -28.77 69.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.771 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -101.8 16.11 26.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.49 . . . . 0.0 110.721 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.499 ' OG ' HD21 ' A' ' 37' ' ' LEU . 63.1 m -109.13 -164.68 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.188 -0.32 . . . . 0.0 111.856 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 67.53 -173.69 0.19 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.524 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.24 126.55 30.33 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 61.2 m-85 -63.35 146.19 54.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' TYR . 97.5 mttt 66.89 -139.82 0.14 Allowed 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 68.09 -72.99 0.09 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.12 0.568 . . . . 0.0 111.262 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -105.71 -24.22 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -101.76 -170.7 1.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.732 ' HB3' HG21 ' A' ' 77' ' ' VAL . 2.0 tm? -167.79 135.99 2.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.209 0.528 . . . . 0.0 111.169 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.641 ' N ' HD22 ' A' ' 69' ' ' LEU . 36.6 p90 -131.84 131.09 42.52 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.804 169.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.53 44.28 4.64 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.163 -0.542 . . . . 0.0 112.499 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.698 ' HB3' HD11 ' A' ' 69' ' ' LEU . 7.0 t-20 -171.47 -151.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -68.67 105.85 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.285 0.564 . . . . 0.0 110.355 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -83.94 -24.28 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.622 -173.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 p -43.88 -60.5 1.8 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -173.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.531 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 44.4 mtm105 -60.59 -35.43 76.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.496 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 69' ' ' LEU . 42.5 t -65.07 -43.86 95.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.511 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 74.9 mt -62.85 -37.83 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.34 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.08 -30.65 71.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.7 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 91.1 mt -73.09 -54.0 9.63 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -52.59 -49.57 64.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.941 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.416 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.8 t80 -62.58 -44.85 95.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.924 -177.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -72.79 -19.1 61.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.225 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -94.74 -53.71 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.76 0.314 . . . . 0.0 111.281 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 59' ' ' ALA . 73.7 mt -77.68 -37.39 49.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.175 -170.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.681 ' HG ' ' HD2' ' A' ' 115' ' ' TYR . 84.5 mt -102.52 -10.69 19.12 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.099 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.44 21.55 64.67 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.004 -0.544 . . . . 0.0 113.354 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -132.64 162.84 30.31 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.435 -0.45 . . . . 0.0 110.486 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . . . -101.5 153.52 37.81 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.422 -173.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 89' ' ' ALA . 14.2 Cg_exo -68.56 95.75 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.748 2.299 . . . . 0.0 111.675 176.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -90.18 -21.07 22.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.274 0.559 . . . . 0.0 110.224 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -127.73 144.92 51.05 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.589 ' O ' HG12 ' A' ' 97' ' ' ILE . 12.1 pt-20 -69.98 -25.74 63.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.717 0.294 . . . . 0.0 110.434 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -59.15 -31.99 69.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.824 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -59.18 -49.29 78.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.107 0.479 . . . . 0.0 109.938 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.44 -45.31 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 93' ' ' GLU . 45.1 mm -56.02 -47.97 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.001 0.429 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -62.26 -42.86 99.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.114 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -72.49 -30.47 64.56 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.107 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.55 -50.03 75.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.009 0.433 . . . . 0.0 110.015 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.43 -50.14 70.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.709 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.23 -47.96 77.44 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.87 0.367 . . . . 0.0 111.091 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -56.16 -48.97 75.28 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.967 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 6.0 mm-40 -73.57 -17.73 61.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.748 -177.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -66.97 -55.14 15.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 0.0 111.051 176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 30.7 mt-10 -120.56 -37.93 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -172.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 141.21 -177.17 21.22 Favored Glycine 0 C--O 1.238 0.366 0 C-N-CA 120.077 -1.059 . . . . 0.0 113.458 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -63.49 -33.72 76.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.317 -0.442 . . . . 0.0 110.592 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.95 -44.23 97.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 106' ' ' GLU . . . -59.74 -41.11 90.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.996 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.08 -59.15 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.181 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 42.0 mm -51.66 -49.01 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.5 -22.34 64.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.7 p -72.07 -34.94 69.1 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.097 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.681 ' HD2' ' HG ' ' A' ' 86' ' ' LEU . 83.8 m-85 -57.52 -53.6 56.3 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.886 0.374 . . . . 0.0 111.138 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' A' ' 56' ' ' ARG . 2.7 mp -69.21 -31.02 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.799 -172.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.52 -16.27 37.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.77 0.319 . . . . 0.0 111.177 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.5 t -59.19 129.14 86.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.084 0.469 . . . . 0.0 111.504 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PRO . . . . . 0.534 ' O ' HG22 ' A' ' 122' ' ' THR . 27.9 Cg_endo -62.56 -39.64 43.38 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.13 2.554 . . . . 0.0 112.727 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.29 -26.72 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.207 0.527 . . . . 0.0 110.309 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.721 ' CE2' ' HD2' ' A' ' 52' ' ' ARG . 23.4 t80 -75.6 -39.89 57.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.652 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 119' ' ' PRO . 2.8 t -74.44 -24.94 59.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.958 0.409 . . . . 0.0 110.311 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -77.53 -33.35 54.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.454 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.2 p -81.18 -41.94 21.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.702 -177.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.416 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 94.2 m-85 -108.35 -38.82 5.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.62 -168.98 18.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.446 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.458 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 16.4 m-20 -95.71 -22.23 17.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.749 0.309 . . . . 0.0 111.084 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.541 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 89.2 m95 -118.41 10.17 12.62 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.462 HG22 ' HG3' ' A' ' 4' ' ' GLU . 97.4 t -112.17 135.36 51.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.822 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.93 124.25 89.42 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.199 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.43 ' HG3' ' OH ' ' A' ' 121' ' ' TYR . 37.9 Cg_endo -65.29 109.15 1.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.804 2.336 . . . . 0.0 112.231 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -105.8 145.3 31.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -62.93 129.06 38.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.274 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -69.09 93.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.721 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -80.71 159.25 42.01 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.402 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.48 109.58 4.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.228 0.537 . . . . 0.0 110.479 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 64.45 88.81 0.1 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.785 -175.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -82.44 22.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.572 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -91.51 -17.89 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.08 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -124.9 129.28 50.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.845 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -72.01 118.01 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.412 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -91.99 -67.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.154 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.752 179.868 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 ttt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.78 37.03 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.627 2.218 . . . . 0.0 112.583 -178.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.39 103.23 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.771 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.65 145.97 47.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.756 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' HB2' HG21 ' A' ' 17' ' ' VAL . 33.6 tp -100.98 116.24 32.37 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 3.4 mpt_? -80.76 161.92 24.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.322 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.08 81.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 110.302 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -104.09 46.93 0.89 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.751 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -62.35 156.28 22.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.253 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t -106.53 167.41 9.87 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 171.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.13 -33.51 67.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 110.255 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.28 -45.68 90.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.466 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -68.96 -43.44 75.0 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.252 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' A' ' 44' ' ' LEU . 33.1 tp -57.32 -51.88 67.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.728 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.29 -30.94 71.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.418 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.9 m -63.2 -47.73 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.023 0.439 . . . . 0.0 110.178 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 5' ' ' LEU . 94.7 t -64.75 -47.66 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 70.4 mt -61.39 -48.66 87.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.279 -178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -61.33 -33.45 73.64 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.202 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.76 84.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.284 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -83.88 -32.79 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.499 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.507 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -77.82 57.84 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.349 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -90.88 31.03 1.11 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.389 0.614 . . . . 0.0 110.073 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.13 160.51 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.829 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 p -123.84 -9.55 7.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.485 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.802 HD13 ' H ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -91.46 157.5 17.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.3 -177.368 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.98 -91.06 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.718 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 63.4 105.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.188 0.595 . . . . 0.0 111.691 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 t70 64.06 -170.42 0.19 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.076 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -130.62 -15.15 3.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.75 120.15 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.173 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.82 76.38 0.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.189 0.931 . . . . 0.0 110.175 -177.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.38 95.7 6.0 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 174.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 p -83.87 135.05 34.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -169.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 67.84 22.37 8.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.117 171.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -74.83 119.47 19.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 172.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.813 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.7 pt? -78.82 51.96 1.17 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.389 0.614 . . . . 0.0 112.201 -172.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.1 p -63.99 -25.41 38.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.458 0.647 . . . . 0.0 109.385 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.448 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.0 p -64.27 -39.02 93.09 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.357 175.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.39 95.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.322 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.54 -39.3 87.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.55 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.5 t -65.1 -44.93 87.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.418 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 39' ' ' SER . 96.0 mt -63.02 -33.24 75.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.094 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 14' ' ' LEU . 38.3 tp -71.51 -41.2 69.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.472 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -66.1 -29.58 69.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.98 0.419 . . . . 0.0 111.21 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -91.05 8.11 37.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.078 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 34.03 87.3 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 113.178 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -92.53 -41.12 10.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.753 0.311 . . . . 0.0 111.061 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.562 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 43.0 pt -106.47 155.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.595 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.3 p -90.83 174.17 7.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.125 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.504 HG23 ' CE3' ' A' ' 128' ' ' TRP . 90.9 t -61.47 -32.83 54.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.773 ' HD2' HG21 ' A' ' 122' ' ' THR . 3.9 mmp_? -61.39 -49.36 77.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.243 176.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.562 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 58.9 mm-40 -63.47 -42.36 98.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.05 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' HZ ' HG23 ' A' ' 18' ' ' ILE . 76.9 t80 -63.31 -50.73 68.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.674 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.12 -42.48 90.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.554 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.9 ' HD3' HG13 ' A' ' 116' ' ' ILE . 17.9 ttp180 -61.41 -42.17 98.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.64 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.49 87.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.169 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.467 HG22 HD11 ' A' ' 37' ' ' LEU . 56.9 t -66.65 -45.88 87.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.804 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.34 78.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.628 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.526 ' HD2' ' HG2' ' A' ' 56' ' ' ARG . 7.2 mtpp -76.19 -13.41 60.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.576 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.0 p -110.53 -92.95 0.44 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.196 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 65.0 -58.66 0.26 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.538 0.735 . . . . 0.0 110.415 -173.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.4 tp 77.68 161.96 0.22 Allowed 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 124.074 0.949 . . . . 0.0 111.142 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 69.91 -174.1 0.18 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.408 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.678 ' HG2' ' HB2' ' A' ' 70' ' ' TYR . 14.0 mptt -112.52 -94.79 0.45 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.615 ' HG3' ' HD2' ' A' ' 67' ' ' LYS . 11.3 tp10 57.04 92.66 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.395 0.434 . . . . 0.0 111.657 174.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.615 ' HD2' ' HG3' ' A' ' 66' ' ' GLU . 8.4 mttp 79.54 -42.2 0.26 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.239 176.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -108.74 161.96 14.62 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.986 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 ' HE3' ' A' ' 65' ' ' LYS . 52.2 tp 74.04 -58.5 0.59 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.32 -0.854 . . . . 0.0 112.004 175.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.678 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 26.4 t80 -103.71 82.68 2.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.793 0.33 . . . . 0.0 110.163 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.54 114.77 0.3 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.791 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 71.76 -90.55 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.598 0.759 . . . . 0.0 112.652 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -136.98 159.59 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -173.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -79.79 -26.93 40.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -58.48 -29.09 65.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.851 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -56.85 -35.35 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.308 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.0 t -73.84 -36.31 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.302 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.14 -41.99 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.345 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.59 -52.01 67.37 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 tt -52.31 -55.38 21.81 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.755 HD21 HG12 ' A' ' 112' ' ' ILE . 45.8 t-20 -54.28 -61.12 2.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.596 -1.183 . . . . 0.0 111.236 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.79 -28.17 63.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.995 -171.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.45 -26.42 66.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.942 0.401 . . . . 0.0 110.161 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -95.65 -37.55 10.77 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.07 -37.36 26.53 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.9 mt -98.1 -18.59 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.283 0.563 . . . . 0.0 110.151 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.653 ' CA ' ' HA ' ' A' ' 133' ' ' TYR . . . 85.44 13.74 69.96 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.071 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -168.07 135.33 2.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.5 160.18 77.62 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.855 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -46.58 138.24 14.53 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.104 2.536 . . . . 0.0 112.586 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -68.92 -58.85 3.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.841 -171.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 93' ' ' GLU . 35.5 t70 -137.09 -177.4 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.596 0.236 . . . . 0.0 110.925 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' H ' ' CG ' ' A' ' 92' ' ' ASP . 8.0 tp10 -51.21 -37.2 45.49 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.083 0.953 . . . . 0.0 112.052 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 p -54.07 -45.1 71.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.552 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.23 -40.1 78.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.048 0.451 . . . . 0.0 110.154 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.1 t -61.91 -51.17 75.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.478 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.35 -51.18 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.68 -43.61 85.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.334 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -79.05 -34.48 43.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.22 -42.09 98.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.54 -55.14 35.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.705 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 111' ' ' ASP . 28.0 tp -66.04 -43.47 87.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.922 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.04 -46.64 87.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.325 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -85.23 -29.1 24.93 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.794 -175.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.41 -57.7 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.095 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -93.93 -32.18 13.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.324 -173.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.57 167.25 12.93 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.008 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -64.82 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.72 -49.31 73.37 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.541 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.26 -44.78 82.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.414 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.531 ' HA ' HD23 ' A' ' 102' ' ' LEU . 28.0 t70 -65.01 -42.87 94.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.755 HG12 HD21 ' A' ' 81' ' ' ASN . 74.1 mt -61.46 -34.3 60.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.337 0.589 . . . . 0.0 110.896 176.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.625 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -70.03 -25.48 63.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.605 -176.581 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.8 m -61.38 -28.34 69.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.87 -37.7 86.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.63 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.9 HG13 ' HD3' ' A' ' 56' ' ' ARG . 46.2 mm -77.87 -24.12 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.288 -178.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.74 14.21 1.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.417 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -110.71 80.78 2.24 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.891 0.377 . . . . 0.0 110.0 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.64 -43.29 0.66 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.409 2.073 . . . . 0.0 112.503 -175.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -57.01 -48.1 79.28 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.081 0.467 . . . . 0.0 110.63 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -65.09 -41.17 95.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.312 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.773 HG21 ' HD2' ' A' ' 52' ' ' ARG . 54.3 m -61.02 -47.3 87.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.406 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -57.87 -37.16 73.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.952 0.406 . . . . 0.0 110.579 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 m -84.5 -17.96 37.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.827 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -98.92 -38.4 9.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.846 0.355 . . . . 0.0 111.33 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 147.83 106.82 0.45 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.691 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -65.18 -42.83 93.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.197 0.522 . . . . 0.0 110.301 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.504 ' CE3' HG23 ' A' ' 51' ' ' VAL . 79.2 m95 -114.55 38.02 3.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.55 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 58.0 t -118.21 143.07 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.552 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 63.2 t -78.78 127.33 80.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.157 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.78 130.91 37.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.97 2.447 . . . . 0.0 113.026 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -126.1 163.81 22.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.416 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.653 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 18.8 p90 -72.01 122.46 20.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.36 0.6 . . . . 0.0 111.235 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.16 107.69 11.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.463 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.61 -76.4 0.26 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.159 -0.543 . . . . 0.0 113.104 -174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.96 159.63 44.03 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.675 0.274 . . . . 0.0 110.512 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.789 ' HG2' ' H ' ' A' ' 138' ' ' HIS . 1.3 pm0 -87.24 -84.84 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.281 174.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.789 ' H ' ' HG2' ' A' ' 137' ' ' GLU . 30.3 m80 -155.03 162.82 40.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -153.41 139.05 17.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.062 0.458 . . . . 0.0 110.81 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -116.84 113.26 22.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.332 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -127.25 94.89 4.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.98 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -129.02 163.71 24.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.43 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.615 177.008 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 73.3 mtp . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.674 0.273 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 3.1 Cg_exo -75.77 116.83 4.55 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.743 2.295 . . . . 0.0 111.523 175.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 43.7 t -76.68 99.12 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 9.6 pt-20 -101.26 151.54 21.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.904 0.383 . . . . 0.0 111.417 -174.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.505 HD13 HG21 ' A' ' 17' ' ' VAL . 61.9 tp -115.83 111.64 20.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.593 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -95.25 162.51 13.66 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.199 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.97 -21.85 66.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.986 0.422 . . . . 0.0 111.012 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -113.44 87.05 2.52 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.527 ' CZ2' ' HG3' ' A' ' 45' ' ' ARG . 47.4 p-90 -109.5 152.85 24.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.476 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -86.64 150.99 23.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.079 171.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 38.8 tt0 -53.98 -45.98 71.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.61 -176.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.59 -25.16 62.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.392 . . . . 0.0 111.045 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.22 -46.52 73.57 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.0 -38.38 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.357 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 11.6 mm-40 -55.66 -41.65 73.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.725 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -70.35 -38.23 74.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 5' ' ' LEU . 96.3 t -59.86 -53.71 44.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.99 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.494 ' HB ' ' CZ ' ' A' ' 22' ' ' TYR . 30.9 pt -69.31 -30.26 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.083 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 19' ' ' ARG . 9.3 ttp180 -67.29 -26.05 66.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.878 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.24 -31.73 38.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.447 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.2 -51.21 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.645 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' CZ ' ' HB ' ' A' ' 18' ' ' ILE . 23.8 p90 -133.13 140.73 47.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.07 0.462 . . . . 0.0 110.275 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -78.47 124.28 27.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.533 0.682 . . . . 0.0 112.286 -175.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -143.22 111.09 5.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.674 -1.148 . . . . 0.0 107.937 170.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.6 t -68.54 -50.71 53.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.754 -170.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.37 154.99 47.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.915 0.388 . . . . 0.0 110.702 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.65 91.31 1.72 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 172.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -83.48 176.41 9.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.934 0.397 . . . . 0.0 111.31 -176.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -95.58 12.09 30.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.601 -174.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -78.73 83.41 4.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.397 0.618 . . . . 0.0 111.113 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -76.85 -14.97 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.223 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 88.7 mtp -75.09 -10.37 59.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.337 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.79 32.8 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.157 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.3 p -71.56 -2.61 17.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.387 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -81.87 74.42 8.85 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.943 -0.473 . . . . 0.0 111.153 -177.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -166.38 71.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.97 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.59 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 77.9 mt 67.0 27.55 8.75 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 167.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.75 -36.84 68.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.972 0.415 . . . . 0.0 111.015 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 49.6 m -63.23 -40.76 98.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.983 0.421 . . . . 0.0 110.282 177.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.1 86.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.492 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 61.0 mt-10 -57.09 -50.8 71.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 177.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -62.51 -39.95 95.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.013 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 39' ' ' SER . 88.1 mt -66.34 -40.18 89.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.973 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 tp -71.1 -40.96 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.353 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 9' ' ' TRP . 65.9 ttp85 -57.69 -37.12 72.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.134 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -94.23 10.29 34.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.285 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.36 30.07 64.16 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.127 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -84.65 -28.45 26.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.009 0.433 . . . . 0.0 110.447 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.61 153.26 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.109 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.3 p -76.37 154.97 34.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.433 HG23 ' CE3' ' A' ' 128' ' ' TRP . 84.2 t -60.36 -36.23 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.702 ' HD3' HG21 ' A' ' 122' ' ' THR . 18.7 ttp180 -56.26 -47.4 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.164 0.507 . . . . 0.0 110.434 176.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -70.11 -36.23 74.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.661 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' VAL . 91.7 t80 -60.01 -51.96 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 177.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.9 -40.15 82.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.71 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HB2' HG21 ' A' ' 116' ' ' ILE . 12.9 ttp180 -57.16 -50.48 72.69 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.299 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.99 -51.07 71.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.766 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.555 HG22 HD13 ' A' ' 37' ' ' LEU . 86.3 t -56.73 -51.75 62.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.821 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.61 -28.6 68.63 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -173.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -100.65 5.7 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -174.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.512 ' OG ' HD21 ' A' ' 37' ' ' LEU . 62.2 p -120.07 16.75 12.47 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -174.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.08 133.76 43.88 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.173 0.511 . . . . 0.0 110.881 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.79 -63.53 1.26 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.867 -170.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -120.22 160.83 22.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.881 0.372 . . . . 0.0 111.088 -173.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.509 ' HG3' HD23 ' A' ' 69' ' ' LEU . 87.4 tttt -92.83 95.3 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.682 176.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -129.06 -159.28 0.94 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.514 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -64.96 91.64 0.09 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.248 0.546 . . . . 0.0 111.844 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.5 p90 175.95 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 174.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.715 HD12 HG11 ' A' ' 77' ' ' VAL . 55.7 tp -103.52 -22.15 13.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.876 -1.057 . . . . 0.0 109.41 174.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -101.32 133.81 45.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.244 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.16 175.38 46.08 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.02 -61.57 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 0.0 109.759 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -86.62 82.95 7.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.98 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -57.71 -22.2 45.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.776 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.491 HG23 HG11 ' A' ' 96' ' ' VAL . 17.9 m -44.65 -37.83 3.92 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.324 172.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -59.59 -31.37 69.41 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.642 -179.554 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.715 HG11 HD12 ' A' ' 69' ' ' LEU . 47.0 t -72.39 -40.61 64.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.864 0.364 . . . . 0.0 110.666 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -43.96 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 0.0 109.921 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 47.4 mt-10 -63.39 -36.99 85.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.961 175.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 10.2 tt -55.42 -48.87 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.927 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.73 -39.34 91.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -50.43 74.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.696 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 14.8 mtpp -69.56 -24.41 63.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.319 -176.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -90.58 -40.01 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 112' ' ' ILE . 94.9 mt -89.77 -42.82 11.08 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.694 -173.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' HG ' ' HD1' ' A' ' 115' ' ' TYR . 53.7 mt -96.1 -21.73 17.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.112 0.482 . . . . 0.0 110.439 177.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.53 18.87 57.91 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.17 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.447 ' HA ' ' CE1' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -156.57 176.91 12.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.319 0.56 . . . . 0.0 110.738 175.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.91 157.18 46.37 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.096 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.21 142.12 56.96 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.448 2.098 . . . . 0.0 111.774 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -78.41 -33.45 48.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.312 0.577 . . . . 0.0 109.683 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -146.91 158.64 43.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.162 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 97' ' ' ILE . 13.4 pt-20 -75.06 -10.81 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.53 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 p -59.82 -39.03 83.69 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.226 0.536 . . . . 0.0 109.98 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 37.0 mt-10 -64.79 -39.61 93.88 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.488 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG11 HG23 ' A' ' 75' ' ' THR . 58.2 t -61.24 -44.99 99.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.357 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 93' ' ' GLU . 72.7 mt -56.79 -45.19 82.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.734 177.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -58.96 -43.73 91.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.772 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.4 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 47.4 m-70 -72.37 -34.59 68.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.308 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.23 -49.02 79.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.124 0.488 . . . . 0.0 109.953 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.25 -48.38 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.732 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 111' ' ' ASP . 52.3 tp -60.56 -45.33 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.821 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.01 -37.77 86.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.059 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.2 -33.79 29.23 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.937 -177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -81.53 -58.98 2.78 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.396 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -94.06 -32.85 13.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.75 0.31 . . . . 0.0 111.318 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.5 176.59 17.97 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.856 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -63.22 -24.75 68.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 110.787 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 16.4 t70 -55.51 -48.71 74.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.449 176.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.1 -35.18 59.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.24 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.445 ' HA ' HD23 ' A' ' 102' ' ' LEU . 29.5 t70 -59.69 -57.71 11.76 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.495 HG23 HD11 ' A' ' 85' ' ' LEU . 63.5 mt -62.13 -37.66 79.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.073 0.463 . . . . 0.0 110.812 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 1.3 t70 -67.27 -33.67 75.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.395 -175.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 87.0 p -58.32 -39.81 80.41 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.439 ' HD1' ' HG ' ' A' ' 86' ' ' LEU . 93.7 m-85 -64.25 -37.45 87.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.354 0.597 . . . . 0.0 110.596 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' A' ' 56' ' ' ARG . 40.1 mt -90.35 -15.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.221 -170.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -75.62 -16.42 60.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.142 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.2 t -92.16 110.98 47.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.922 0.392 . . . . 0.0 111.142 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.0 -25.27 16.45 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.541 2.16 . . . . 0.0 111.68 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.53 -53.19 60.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.97 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -72.93 -33.29 65.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.127 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.702 HG21 ' HD3' ' A' ' 52' ' ' ARG . 95.5 m -58.19 -55.92 28.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.032 0.444 . . . . 0.0 110.524 176.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.489 ' HA ' ' OD1' ' A' ' 127' ' ' ASP . 4.4 t-20 -65.77 -26.4 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.906 -178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.2 t -79.22 -17.59 54.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.916 -177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.566 ' HE2' ' HB3' ' A' ' 131' ' ' PRO . 1.9 t80 -114.93 -38.38 3.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.34 -176.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.642 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 154.72 103.37 0.22 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.814 178.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.489 ' OD1' ' HA ' ' A' ' 123' ' ' ASN . 4.9 m-20 -65.95 -34.59 78.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 110.603 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.433 ' CE3' HG23 ' A' ' 51' ' ' VAL . 91.9 m95 -120.56 26.27 9.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.978 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.642 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 61.7 t -121.65 137.14 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.478 -176.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 61.3 t -79.13 120.57 81.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.566 ' HB3' ' HE2' ' A' ' 125' ' ' PHE . 50.8 Cg_exo -54.98 141.77 77.93 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.256 2.638 . . . . 0.0 113.604 -176.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -123.24 172.38 8.66 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.447 ' CE1' ' HA ' ' A' ' 88' ' ' ARG . 2.4 t80 -81.43 129.85 34.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.084 0.468 . . . . 0.0 111.21 -177.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 67.51 70.74 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.688 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 125' ' ' PHE . . . -118.71 77.5 0.3 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.576 177.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 37.0 mt 62.09 95.18 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 112.469 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -27.55 40.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.645 175.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -123.64 116.84 23.76 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 171.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.71 112.76 1.74 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.544 0.688 . . . . 0.0 111.705 -172.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 24.1 m170 62.09 -89.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.406 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -163.37 -171.43 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.652 0.263 . . . . 0.0 110.907 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -130.38 -178.6 4.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.825 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 . . . . . 0 C--O 1.245 0.836 0 CA-C-O 118.547 -0.74 . . . . 0.0 109.942 177.545 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttm . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.96 155.21 69.34 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.646 2.231 . . . . 0.0 111.788 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.24 107.58 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.983 0.421 . . . . 0.0 109.885 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -140.32 147.99 40.7 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.604 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.562 ' HB2' HG21 ' A' ' 17' ' ' VAL . 31.6 tp -106.47 102.54 11.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.8 mtm-85 -73.49 151.8 40.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.559 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.16 -41.0 64.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.867 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -93.58 89.62 6.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.252 0.549 . . . . 0.0 109.706 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.546 ' HH2' ' HG3' ' A' ' 45' ' ' ARG . 64.4 p-90 -115.2 160.36 19.82 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.359 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -109.96 169.22 8.87 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 171.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.87 -36.36 65.04 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.016 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.82 -37.98 86.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.568 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.5 m-20 -63.26 -51.64 65.32 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.169 0.509 . . . . 0.0 109.925 175.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.26 -44.78 84.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.748 -177.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -55.42 -51.68 66.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.965 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.3 m -60.9 -40.32 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 5' ' ' LEU . 96.3 t -65.53 -50.18 73.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.803 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.24 -39.01 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.198 0.523 . . . . 0.0 110.827 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.462 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 2.6 tmm_? -66.2 -30.73 71.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.575 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.94 -37.87 21.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.451 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 17' ' ' VAL . 96.7 t -65.03 -51.51 65.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.877 0.37 . . . . 0.0 110.264 178.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -82.71 72.4 9.78 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 174.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -79.63 99.23 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.697 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -80.33 89.99 5.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.09 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.488 HG12 HD22 ' A' ' 26' ' ' LEU . 25.7 t -75.77 -50.7 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.488 HD22 HG12 ' A' ' 25' ' ' VAL . 3.4 mm? -128.52 -172.43 2.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.899 172.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.98 143.4 10.53 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.396 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -81.04 162.73 23.66 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.67 -174.71 5.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -78.37 82.29 4.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.172 0.511 . . . . 0.0 111.003 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m -84.66 1.53 4.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.209 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.3 mmt 68.58 29.7 5.4 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.693 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.44 -51.38 24.21 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m 59.42 23.85 12.42 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.142 -0.936 . . . . 0.0 113.064 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.704 ' HG3' ' H ' ' A' ' 37' ' ' LEU . 17.2 tp10 -98.21 -61.78 1.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 61.69 14.5 6.15 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.297 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.704 ' H ' ' HG3' ' A' ' 35' ' ' GLU . 86.6 mt 63.83 29.7 14.63 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.422 177.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.7 -26.04 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.339 0.59 . . . . 0.0 109.736 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.1 p -63.6 -41.23 98.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.322 174.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.06 84.35 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.307 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -58.57 -43.64 89.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.032 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.2 t -64.55 -41.01 96.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.957 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 39' ' ' SER . 85.9 mt -58.37 -46.57 86.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.912 0.386 . . . . 0.0 110.267 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.2 tp -66.65 -43.96 83.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.302 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HG3' ' HH2' ' A' ' 9' ' ' TRP . 32.6 ttt180 -61.84 -38.13 87.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.906 -176.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -91.66 8.8 35.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.087 -176.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.41 32.1 68.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.145 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -88.59 -31.73 18.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.876 0.37 . . . . 0.0 110.346 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.807 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 43.0 pt -135.9 166.57 26.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.858 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p -97.63 -176.54 3.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' CE3' ' A' ' 128' ' ' TRP . 95.6 t -62.1 -28.16 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 110.339 177.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.484 ' CD ' HG21 ' A' ' 122' ' ' THR . 28.4 mtm180 -62.8 -51.0 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.465 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.807 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 3.9 mp0 -66.97 -33.83 76.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.98 0.419 . . . . 0.0 110.333 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' O ' HG23 ' A' ' 58' ' ' VAL . 69.8 t80 -62.53 -53.67 51.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.452 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 51' ' ' VAL . 93.6 t -63.71 -35.39 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.593 HH21 ' HG3' ' A' ' 53' ' ' GLU . 59.0 ttp85 -61.91 -42.2 98.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.399 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -35.2 80.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.815 0.341 . . . . 0.0 110.681 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 54' ' ' PHE . 69.2 t -70.82 -46.28 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.945 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.81 -33.6 66.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.779 -176.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 53.1 mtpt -100.41 17.15 22.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.387 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 p -66.83 170.46 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.161 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.91 168.0 19.8 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.266 -0.271 . . . . 0.0 111.707 -175.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 99.3 mt 72.28 173.71 0.3 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.934 0.771 . . . . 0.0 111.213 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.6 t80 56.83 68.74 0.82 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.646 0.591 . . . . 0.0 111.031 174.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 69' ' ' LEU . 62.3 mttp -150.8 177.7 9.85 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 72.57 89.66 0.09 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 124.358 1.036 . . . . 0.0 112.005 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.469 ' C ' ' H ' ' A' ' 69' ' ' LEU . 97.6 mttt 63.24 116.84 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.095 0.872 . . . . 0.0 111.424 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.493 ' O ' ' HB2' ' A' ' 69' ' ' LEU . 16.3 t80 66.0 -10.55 0.24 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.403 -171.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.624 ' HG ' HG13 ' A' ' 77' ' ' VAL . 61.8 mt 68.51 39.95 2.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.573 -166.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.54 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER 173.51 -40.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 173.491 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -123.03 -103.29 1.66 Allowed Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.683 -173.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -126.46 174.4 8.66 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 122.92 -0.165 . . . . 0.0 111.271 -175.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 69.92 104.26 0.06 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.391 0.676 . . . . 0.0 112.232 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -64.06 -39.64 94.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.987 176.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.7 m -56.64 -32.24 65.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.117 0.484 . . . . 0.0 111.422 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -68.1 -24.9 65.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.749 -176.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.624 HG13 ' HG ' ' A' ' 69' ' ' LEU . 83.9 t -61.87 -52.45 60.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.16 0.505 . . . . 0.0 109.771 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 99' ' ' HIS . 48.4 mt -56.76 -45.96 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.821 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.2 -42.79 99.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.161 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.57 -37.75 73.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.23 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.38 -42.81 99.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.663 0.268 . . . . 0.0 110.61 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -63.78 -43.78 95.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.242 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.31 -32.5 73.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 111.423 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -81.29 -29.5 34.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.839 -175.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.9 mt -101.35 -53.66 2.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.1 mt -105.22 -26.61 11.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 111.433 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.661 ' HA3' ' HA ' ' A' ' 133' ' ' TYR . . . 75.24 14.91 81.47 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.572 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -123.07 132.87 54.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.47 155.45 58.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 123.565 0.54 . . . . 0.0 111.395 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.23 143.34 26.23 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.167 2.578 . . . . 0.0 112.115 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.646 ' HB2' ' HG3' ' A' ' 95' ' ' GLU . 83.7 m-85 -68.77 -33.97 74.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.42 -170.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -156.98 167.67 29.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.6 tp10 -63.41 -41.24 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 175.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -65.76 -34.52 78.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.045 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.646 ' HG3' ' HB2' ' A' ' 91' ' ' TYR . 1.4 tm-20 -58.87 -44.01 90.99 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.125 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.57 -43.19 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.746 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 93' ' ' GLU . 47.9 mm -58.63 -42.33 84.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.467 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -58.8 -42.97 90.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.709 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.471 ' HB2' HD13 ' A' ' 78' ' ' ILE . 54.0 m-70 -71.71 -35.65 70.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.417 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 86.9 mt -58.27 -48.05 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.265 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.0 -35.95 82.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.708 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.15 -42.36 99.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.457 ' O ' ' HA2' ' A' ' 107' ' ' GLY . 23.0 t80 -63.15 -36.68 84.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.193 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 46.2 mt-10 -75.7 -47.57 25.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.854 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -59.1 3.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.978 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.97 -36.13 8.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.747 -172.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 103' ' ' TYR . . . 111.2 177.69 20.4 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.643 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 112' ' ' ILE . 23.3 p90 -60.75 -24.17 65.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.564 -0.318 . . . . 0.0 111.011 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.533 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -53.78 -59.92 3.99 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 175.35 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 113' ' ' ASP . . . -66.0 -28.63 69.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.388 -177.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -63.62 -43.82 95.73 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.669 -0.413 . . . . 0.0 109.892 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 108' ' ' PHE . 36.2 mm -67.76 -45.24 84.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 121.413 0.625 . . . . 0.0 110.045 174.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 110' ' ' ALA . 8.8 m-20 -63.74 -20.24 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.101 -178.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 m -47.7 -42.71 25.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.425 0.155 . . . . 0.0 111.314 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -88.33 -50.86 6.07 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 56' ' ' ARG . 55.8 mt -74.53 -30.44 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -168.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.29 -13.2 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.838 0.352 . . . . 0.0 110.621 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.6 p -100.15 117.63 62.87 Favored Pre-proline 0 C--O 1.236 0.376 0 CA-C-O 121.235 0.54 . . . . 0.0 110.83 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.86 -39.82 58.65 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.765 2.31 . . . . 0.0 112.515 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.71 -45.25 92.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.9 0.381 . . . . 0.0 111.145 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -71.5 -34.94 70.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.446 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.484 HG21 ' CD ' ' A' ' 52' ' ' ARG . 28.4 m -75.89 -50.93 13.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.996 0.427 . . . . 0.0 110.61 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.32 -19.91 62.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.1 t -47.37 -49.61 24.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.565 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -127.88 -12.11 5.36 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 151.42 144.81 4.0 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 119.512 -1.328 . . . . 0.0 113.81 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.21 -32.74 18.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.502 0.668 . . . . 0.0 110.085 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TRP . . . . . 0.446 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 82.0 m95 -103.45 19.1 20.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.157 -173.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 59.2 t -93.91 141.24 15.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.794 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.49 136.19 71.67 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.38 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -39.03 119.8 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 124.316 3.344 . . . . 0.0 113.033 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -87.27 143.83 27.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.303 -174.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' TYR . . . . . 0.725 ' HD2' ' HB2' ' A' ' 136' ' ' LEU . 34.6 t80 -109.7 122.18 46.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 160.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.64 100.87 3.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.024 0.44 . . . . 0.0 110.201 -175.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 106.44 -121.29 6.59 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.702 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.725 ' HB2' ' HD2' ' A' ' 133' ' ' TYR . 16.3 tp 71.97 -50.42 0.69 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.017 0.927 . . . . 0.0 112.196 176.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.18 114.55 21.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.955 0.407 . . . . 0.0 111.13 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -135.01 72.6 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.956 0.884 . . . . 0.0 110.714 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -131.93 106.53 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.254 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -157.56 83.62 0.9 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 72.63 138.26 0.05 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 124.034 0.834 . . . . 0.0 111.616 175.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -124.77 -6.8 7.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.362 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.503 174.239 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.545 ' HB3' ' HD2' ' A' ' 2' ' ' PRO . 4.3 mpp? . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 1' ' ' MET . 50.8 Cg_exo -53.37 153.04 18.38 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.523 2.149 . . . . 0.0 111.774 175.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.12 109.61 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.185 0.517 . . . . 0.0 111.902 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.42 156.75 30.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.118 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 tp -112.42 100.29 8.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.513 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 84.9 mtt-85 -80.73 158.08 25.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.225 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.63 37.16 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.401 . . . . 0.0 111.979 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 6' ' ' ARG . 7.7 t30 -169.86 77.09 0.09 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.513 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 42.5 p-90 -118.61 169.96 9.36 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.549 -173.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t -114.67 172.45 7.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 170.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.61 -33.71 75.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.598 0.237 . . . . 0.0 111.288 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.35 -43.9 96.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.149 0.499 . . . . 0.0 109.729 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.15 -44.68 83.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.163 177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.81 -46.07 90.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.859 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -58.72 -37.44 76.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.425 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.6 m -61.42 -43.06 99.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.566 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 21' ' ' VAL . 62.9 t -69.81 -49.45 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.012 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.14 -50.22 78.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.296 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -67.08 -31.84 72.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.492 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.62 -33.34 75.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 110.753 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 17' ' ' VAL . 68.1 t -76.93 -53.15 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.083 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -156.32 -171.0 3.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.043 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 66.13 37.32 5.19 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.637 0.732 . . . . 0.0 109.853 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 5.5 pm0 -78.72 14.52 1.3 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.059 -176.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.7 m -81.73 134.16 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.078 0.466 . . . . 0.0 110.745 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -109.94 125.89 53.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.784 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.501 ' HA3' HG12 ' A' ' 31' ' ' VAL . . . -148.99 133.21 4.41 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.302 178.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -92.81 -50.04 5.77 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -127.68 133.34 49.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.535 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 63.77 82.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.677 0.61 . . . . 0.0 110.636 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG12 ' HA3' ' A' ' 27' ' ' GLY . 34.9 m -95.19 148.01 5.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.963 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.44 ' O ' ' HG3' ' A' ' 32' ' ' MET . 25.4 ptt? -121.79 106.66 11.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.392 0.615 . . . . 0.0 110.402 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.41 96.99 6.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.628 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.7 m -70.42 -37.54 74.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.466 0.651 . . . . 0.0 110.063 175.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -116.23 95.4 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.618 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' HB2' HG13 ' A' ' 38' ' ' VAL . 10.9 ptt180 -103.27 -47.94 4.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.743 -177.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.1 mt 52.19 44.16 29.94 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.212 0.529 . . . . 0.0 110.776 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.446 HG13 ' HB2' ' A' ' 36' ' ' ARG . 17.0 m -60.76 -33.75 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.933 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 14.0 m -67.28 -41.72 84.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.065 0.46 . . . . 0.0 110.295 177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.03 -36.32 77.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.47 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.01 -49.07 79.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.518 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.8 m -58.47 -42.74 88.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.726 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.5 mt -60.62 -38.88 86.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.042 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.5 tp -78.18 -40.25 38.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.827 0.346 . . . . 0.0 110.812 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' O ' ' HH2' ' A' ' 9' ' ' TRP . 58.6 ttt180 -68.41 -34.19 75.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.471 -175.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -85.2 -24.52 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.526 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.59 49.1 2.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.965 -0.635 . . . . 0.0 113.087 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -98.42 -47.84 5.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.568 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 pt -96.53 172.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 -175.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.3 p -102.6 168.54 9.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.291 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.1 t -64.5 -28.29 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.102 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -55.4 -44.6 76.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.38 176.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.17 -34.7 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.875 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.03 -47.59 85.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.25 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.039 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 33.0 ttm180 -49.16 -52.45 26.37 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.422 178.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.37 86.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.678 -175.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.9 t -73.82 -40.76 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.072 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.6 63.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.332 -174.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 16.3 ptpt -85.23 16.5 3.56 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.8 m -109.18 -91.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.149 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 48.64 32.96 3.79 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 122.842 0.457 . . . . 0.0 111.935 -175.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.9 mt 69.83 6.35 5.69 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.441 0.696 . . . . 0.0 112.299 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 69.04 -68.68 0.18 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.548 0.739 . . . . 0.0 111.561 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -149.52 114.77 5.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.429 0.633 . . . . 0.0 110.598 178.17 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.78 -33.86 0.84 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.766 173.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -135.29 -2.69 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.891 0.377 . . . . 0.0 110.513 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' HD2' HG13 ' A' ' 77' ' ' VAL . 41.7 p90 -139.29 179.78 6.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.521 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD23 ' HE3' ' A' ' 65' ' ' LYS . 22.6 tp 74.65 161.02 0.24 Allowed 'General case' 0 N--CA 1.469 0.518 0 O-C-N 124.109 0.881 . . . . 0.0 111.03 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.0 t80 69.91 -63.68 0.38 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.61 0.764 . . . . 0.0 111.516 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.0 -177.49 34.87 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.359 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 64.13 -156.17 0.31 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.5 130.22 37.36 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.971 0.415 . . . . 0.0 110.369 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -64.68 -26.57 68.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.678 -179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.512 HG22 HD21 ' A' ' 100' ' ' LEU . 54.7 p -61.61 -46.33 90.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.508 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.592 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 97.9 mtt180 -68.43 -28.74 67.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.605 -175.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.445 HG13 ' HD2' ' A' ' 68' ' ' PHE . 58.5 t -59.22 -50.29 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 175.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.536 HD13 ' HB3' ' A' ' 99' ' ' HIS . 70.0 mt -60.68 -42.57 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.296 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 75' ' ' THR . 49.1 mt-10 -58.72 -38.72 78.97 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 90.3 mt -61.35 -56.71 17.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -65.33 -36.16 83.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 110.296 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 7.7 t80 -55.89 -49.54 73.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.838 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -66.32 -40.19 89.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.089 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -62.79 -41.5 99.29 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 131' ' ' PRO . 93.0 mt -84.34 -50.47 7.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.336 -173.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.0 mt -96.73 -10.5 26.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -169.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.1 30.08 69.65 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.094 -174.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.533 ' HG3' ' HD2' ' A' ' 134' ' ' ARG . 69.0 ttt180 -143.91 141.07 30.06 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -171.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.89 147.92 37.19 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 120.502 0.191 . . . . 0.0 110.594 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.33 129.49 30.06 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.665 2.243 . . . . 0.0 111.754 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -81.21 -42.48 20.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.879 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -117.94 177.56 4.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.562 ' O ' HG12 ' A' ' 97' ' ' ILE . 32.7 tt0 -87.04 -28.48 22.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.52 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.6 t -63.29 -38.14 89.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.663 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -46.88 82.87 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.455 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 41.7 t -64.41 -41.34 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.042 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 93' ' ' GLU . 50.5 mm -58.94 -39.82 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -63.18 -41.68 99.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.225 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.536 ' HB3' HD13 ' A' ' 78' ' ' ILE . 89.7 m-70 -66.84 -38.59 86.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.647 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.512 HD21 HG22 ' A' ' 75' ' ' THR . 88.1 mt -58.12 -48.29 80.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.206 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 20.5 t70 -60.75 -47.62 85.5 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.475 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.24 -45.44 94.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.874 0.369 . . . . 0.0 111.004 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -58.94 -42.12 89.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.627 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -87.89 -18.32 29.45 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.664 -176.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.691 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 1.2 t-20 -85.17 -58.24 2.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.776 0.322 . . . . 0.0 111.253 -177.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -105.82 -33.56 7.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.291 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.77 172.33 12.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.298 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -67.41 -38.48 84.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.232 0.539 . . . . 0.0 109.732 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.45 -40.37 74.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.564 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.95 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.764 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.07 -40.46 82.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.575 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 35.4 mm -64.28 -34.41 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.396 0.617 . . . . 0.0 110.313 175.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.529 ' HA ' HD12 ' A' ' 116' ' ' ILE . 9.7 t70 -70.39 -20.28 62.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.426 -175.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.3 p -54.08 -46.63 72.09 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.629 ' HD1' ' HB3' ' A' ' 121' ' ' TYR . 26.5 t80 -62.35 -29.69 70.64 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.141 0.496 . . . . 0.0 111.164 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 113' ' ' ASP . 9.8 mt -85.16 -33.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 -176.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.46 -30.63 29.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.534 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 62.5 p -85.37 120.88 73.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 0.0 111.272 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.86 -25.47 52.82 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.346 2.031 . . . . 0.0 111.343 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.85 -58.13 9.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.793 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.629 ' HB3' ' HD1' ' A' ' 115' ' ' TYR . 45.6 m-85 -63.88 -39.15 93.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.744 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 76.8 m -56.88 -52.27 65.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.301 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -20.72 57.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.838 0.351 . . . . 0.0 110.791 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.8 t -63.62 -49.6 72.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.665 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -97.07 -34.7 11.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 124.93 135.35 4.36 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 52.8 t0 -69.07 -50.52 47.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -95.21 12.93 27.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.898 -177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.17 136.9 48.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.134 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.8 118.12 70.57 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.453 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -50.95 119.79 5.79 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.938 2.425 . . . . 0.0 112.53 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 2' ' ' PRO . 41.2 p90 -87.41 160.74 18.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.094 -175.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -78.1 136.98 37.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.052 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.533 ' HD2' ' HG3' ' A' ' 88' ' ' ARG . 1.8 ptm180 -76.63 -10.17 59.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.827 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -124.02 -149.44 7.71 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.962 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.0 tp 56.82 33.47 23.12 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.582 0.706 . . . . 0.0 110.141 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.31 140.78 57.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.356 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -61.74 119.41 8.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 174.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -57.87 -42.55 84.8 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.129 0.268 . . . . 0.0 111.063 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 64.27 92.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.418 0.628 . . . . 0.0 112.147 171.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -140.83 -38.61 0.43 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.347 171.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -87.1 90.64 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 172.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.0 t60 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.431 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo . . . . . 0 C--O 1.232 0.194 0 CA-C-O 120.756 0.232 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 40.6 t -88.08 125.38 41.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -137.7 146.78 44.19 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp -99.89 107.82 19.91 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.408 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 88.9 mtt180 -90.0 159.55 16.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.956 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.65 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.328 0.585 . . . . 0.0 110.473 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -101.16 86.34 3.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.89 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.408 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 68.8 p-90 -118.69 150.2 40.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.439 0.637 . . . . 0.0 112.006 -174.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.7 t -98.22 155.62 17.09 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 170.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.766 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 34.6 mt-10 -57.89 -40.34 80.04 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.866 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -56.05 -36.25 67.84 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.04 0.448 . . . . 0.0 111.675 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 17' ' ' VAL . 33.3 t70 -67.91 -44.69 76.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.728 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' A' ' 45' ' ' ARG . 64.0 tp -66.95 -37.12 83.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.265 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.766 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 5.1 mm-40 -57.99 -36.32 72.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.283 0.563 . . . . 0.0 109.605 176.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -67.23 -43.14 82.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.383 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 13' ' ' ASP . 96.9 t -60.13 -55.4 24.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.436 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.4 pt -63.09 -34.92 69.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.491 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -75.41 -19.97 59.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.73 0.3 . . . . 0.0 111.563 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.83 -35.18 44.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.768 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.82 -42.67 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.448 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.235 0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.249 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 58' ' ' VAL . 29.9 mt . . . . . 0 N--CA 1.451 -0.389 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.2 p -55.02 -33.27 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.966 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -76.04 -45.3 35.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.653 0.263 . . . . 0.0 110.704 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.71 99.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.689 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -58.9 -50.42 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.156 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 p -68.68 -39.54 80.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.369 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.5 mt -68.26 -38.29 81.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.502 0.191 . . . . 0.0 111.199 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.7 tp -71.82 -39.02 70.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.394 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.535 ' HA ' HD21 ' A' ' 14' ' ' LEU . 19.6 ttt85 -69.84 -18.62 63.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.669 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -94.35 -2.68 51.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.666 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.79 42.44 97.09 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.775 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -106.07 -36.53 6.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.826 0.346 . . . . 0.0 111.182 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.8 pt -103.31 152.9 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.6 p -84.85 162.55 19.48 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 55' ' ' VAL . 61.3 t -58.56 -34.65 51.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.189 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HD2' HG23 ' A' ' 122' ' ' THR . 1.0 OUTLIER -55.4 -49.77 71.47 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.415 0.626 . . . . 0.0 110.422 177.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.66 -33.67 72.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.82 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -66.37 -37.97 86.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.142 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 51' ' ' VAL . 53.1 t -57.46 -42.52 80.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.675 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 53.6 ttp180 -56.35 -51.84 66.8 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.955 0.407 . . . . 0.0 110.46 177.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.91 -44.21 91.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.593 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.485 ' HA ' HD11 ' A' ' 37' ' ' LEU . 59.5 t -73.47 -38.19 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.557 0.218 . . . . 0.0 111.495 -176.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.73 79.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 18.8 ptpt -113.11 17.34 18.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 110.921 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.0 p -55.65 -70.41 0.11 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.642 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -92.91 171.36 9.01 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.92 108.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.038 0.447 . . . . 0.0 110.498 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -69.29 -14.36 62.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.141 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 121.632 0.73 . . . . 0.0 109.17 175.417 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' HG23 ' A' ' 77' ' ' VAL . 99.3 m-85 . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -56.74 -41.7 77.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.323 0.389 . . . . 0.0 110.982 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -58.97 -43.45 91.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.834 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.55 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 12.5 tpt180 -69.65 -40.58 76.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.159 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 73' ' ' PHE . 96.1 t -59.74 -44.94 94.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.73 -42.71 93.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.732 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.11 -37.54 87.83 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.5 mt -59.92 -50.37 74.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.485 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.98 -43.32 99.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.513 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.479 ' HD2' ' O ' ' A' ' 88' ' ' ARG . 1.3 t80 -57.84 -48.99 78.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.546 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -77.4 -19.92 55.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.264 -0.426 . . . . 0.0 112.103 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -94.98 -30.59 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.424 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.9 mt -101.89 -27.21 13.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.9 mt -112.31 -12.41 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.95 0.405 . . . . 0.0 110.711 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.76 14.82 81.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.372 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.479 ' O ' ' HD2' ' A' ' 82' ' ' TYR . 42.7 ttm180 -145.94 156.16 43.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -93.54 155.17 40.97 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.694 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.05 157.1 14.16 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.982 2.455 . . . . 0.0 112.712 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -98.5 -34.88 10.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.545 -175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -142.51 168.38 19.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.788 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HG2' HG12 ' A' ' 97' ' ' ILE . 32.9 tt0 -58.85 -27.16 64.87 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.805 0.442 . . . . 0.0 110.822 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.5 m -56.67 -41.76 77.83 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -174.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.57 -43.27 99.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.905 0.383 . . . . 0.0 110.417 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.59 -46.13 93.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.081 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.47 HG12 ' HG2' ' A' ' 93' ' ' GLU . 46.5 mm -61.16 -40.41 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.016 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.38 -44.42 95.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -72.39 -30.92 65.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.998 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.03 -44.9 94.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.35 174.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.21 -40.68 98.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.875 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.09 -40.79 96.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.985 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.68 -31.54 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.838 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.4 -33.02 37.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -73.13 -55.29 6.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.911 0.386 . . . . 0.0 111.257 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -120.21 -37.64 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.539 -174.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.98 -162.47 16.77 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.499 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -74.72 -33.0 62.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.965 0.506 . . . . 0.0 110.724 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.418 ' CG ' ' HZ3' ' A' ' 60' ' ' LYS . 8.1 t70 -60.04 -46.27 90.08 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.419 0.628 . . . . 0.0 110.383 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.74 68.08 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.896 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.59 -48.59 71.96 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 76.7 mt -58.93 -49.71 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.722 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.58 ' HA ' HD12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -58.07 -23.08 53.18 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 m -66.1 -34.04 77.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.725 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -76.92 -10.19 59.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 113' ' ' ASP . 31.6 mt -92.66 -57.82 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.345 -174.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -75.61 -8.7 57.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.172 -172.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.4 t -50.09 109.63 1.36 Allowed Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.887 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.22 -53.79 1.04 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.054 2.503 . . . . 0.0 113.664 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -34.67 73.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.684 0.278 . . . . 0.0 110.962 -172.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 125' ' ' PHE . 37.7 m-85 -70.26 -40.95 74.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.75 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.57 HG23 ' HD2' ' A' ' 52' ' ' ARG . 99.4 m -61.82 -51.85 66.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.771 0.32 . . . . 0.0 111.165 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -68.92 -43.98 74.06 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -175.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.4 t -80.53 -47.81 13.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 84.0 t80 -83.91 -39.19 20.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -172.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.594 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 159.23 127.7 0.93 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 119.643 -1.265 . . . . 0.0 113.441 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -51.14 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.06 0.457 . . . . 0.0 110.432 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -102.43 18.92 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.021 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.594 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 59.0 t -102.97 138.99 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.558 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 58.8 t -85.03 125.21 71.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.516 177.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.438 ' HA ' ' CE2' ' A' ' 125' ' ' PHE . 7.1 Cg_endo -49.39 110.86 0.4 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.714 2.943 . . . . 0.0 113.755 -176.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -106.35 167.16 10.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.512 175.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -65.75 100.9 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 0.0 110.467 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 . . . . . 0 C--N 1.321 -0.651 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.843 178.097 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.533 ' HA ' ' CE1' ' A' ' 132' ' ' TYR . 9.3 Cg_exo . . . . . 0 N--CA 1.458 -0.567 0 N-CA-C 110.658 -0.555 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.8 t -69.48 98.94 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.895 0.378 . . . . 0.0 110.299 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 13.1 pt-20 -117.27 153.2 33.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.261 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 17' ' ' VAL . 12.3 tp -119.89 99.29 6.54 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.505 ' O ' ' HE3' ' A' ' 9' ' ' TRP . 20.7 ptt180 -84.66 162.19 19.81 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.077 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.3 36.46 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -166.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -168.97 77.26 0.11 Allowed 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 172.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.505 ' HE3' ' O ' ' A' ' 6' ' ' ARG . 12.9 p90 -111.14 166.38 11.12 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.764 -169.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -98.23 159.03 15.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.17 -24.73 65.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.106 0.479 . . . . 0.0 110.351 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.49 -38.51 91.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.919 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -67.75 -39.78 84.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.383 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.75 ' HG ' ' HG3' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -59.12 -47.22 86.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.538 176.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.43 -39.04 78.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.3 m -59.98 -44.72 94.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.377 176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.516 HG21 HD13 ' A' ' 5' ' ' LEU . 72.2 t -61.42 -47.79 91.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.579 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.456 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 92.2 mt -55.13 -51.93 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.885 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -63.1 -27.21 69.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.482 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.04 -36.45 56.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.648 0.261 . . . . 0.0 111.085 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 17' ' ' VAL . 88.8 t -72.47 -48.42 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.722 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 18' ' ' ILE . 87.4 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 C--O 1.233 0.207 0 CA-C-O 120.866 0.365 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.01 -25.34 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.929 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.428 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 22.5 m -60.3 -48.28 82.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.913 0.387 . . . . 0.0 110.387 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.5 89.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.231 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.13 -41.15 87.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.924 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -68.79 -42.8 76.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.982 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD22 ' HD2' ' A' ' 48' ' ' LYS . 95.6 mt -61.34 -37.65 84.08 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.4 tp -72.51 -40.14 67.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.584 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.75 ' HG3' ' HG ' ' A' ' 14' ' ' LEU . 25.4 ttp180 -69.67 -33.35 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.339 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -80.27 -23.43 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.045 0.45 . . . . 0.0 110.476 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.68 54.28 1.45 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.532 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HD2' HD22 ' A' ' 43' ' ' LEU . 24.7 ttmm -116.25 -47.56 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.914 0.388 . . . . 0.0 110.609 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 40.5 pt -106.3 161.92 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.415 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -87.04 174.51 8.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.462 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 55' ' ' VAL . 83.9 t -65.89 -36.67 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 1.001 ' HD3' HG21 ' A' ' 122' ' ' THR . 5.3 ttp180 -60.31 -41.87 94.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 176.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 12.1 mm-40 -62.82 -38.32 90.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.019 0.438 . . . . 0.0 110.772 177.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -66.33 -50.7 62.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.304 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 51' ' ' VAL . 84.7 t -58.66 -43.09 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.692 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.501 ' HB2' HG21 ' A' ' 116' ' ' ILE . 20.9 ttt180 -52.29 -53.52 43.13 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.847 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.53 56.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.063 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.61 -35.06 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.609 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.41 79.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -99.9 10.81 40.69 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.489 -0.484 . . . . 0.0 112.206 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 p -98.11 -24.62 15.23 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.967 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.76 170.31 16.7 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.068 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.57 75.21 2.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.196 0.522 . . . . 0.0 110.942 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -62.35 -25.06 67.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.398 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.3 tptm . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.243 -177.525 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 77' ' ' VAL . 94.0 m-85 . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.803 0.335 . . . . 0.0 111.356 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -52.09 -39.52 59.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.759 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 HG11 ' A' ' 96' ' ' VAL . 6.0 m -58.33 -40.61 82.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.275 0.56 . . . . 0.0 111.013 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 13.8 mmm-85 -79.42 -23.6 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.055 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 73' ' ' PHE . 84.1 t -63.51 -37.04 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.359 0.599 . . . . 0.0 109.515 173.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.497 HD12 HG13 ' A' ' 96' ' ' VAL . 77.3 mt -64.0 -43.55 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.074 174.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -57.5 -36.51 71.6 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.455 175.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 86.0 mt -63.71 -46.73 84.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.889 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -76.84 -28.21 55.4 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.968 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CE1' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -65.09 -45.78 83.78 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.018 0.437 . . . . 0.0 109.975 178.496 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -78.7 -17.77 55.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 60.7 t-80 -74.73 -30.6 61.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 0.0 109.952 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.661 HD11 HG23 ' A' ' 112' ' ' ILE . 76.8 mt -101.02 -51.18 3.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.161 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.705 ' HA ' ' HB2' ' A' ' 131' ' ' PRO . 38.6 mt -112.02 -3.38 14.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -171.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.97 31.35 76.08 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.824 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -130.13 148.14 51.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.669 0.388 . . . . 0.0 110.252 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.25 153.57 37.98 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.35 119.73 6.84 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.623 2.215 . . . . 0.0 111.788 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -74.96 -41.64 59.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.131 0.491 . . . . 0.0 110.399 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -126.97 -179.83 5.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.329 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 97' ' ' ILE . 40.7 tt0 -87.28 -18.54 29.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.551 -176.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.0 m -66.14 -36.85 84.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.222 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.67 -38.34 81.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.219 0.533 . . . . 0.0 110.117 173.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.511 HG11 HG23 ' A' ' 75' ' ' THR . 99.8 t -66.24 -51.08 63.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.203 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 93' ' ' GLU . 85.6 mt -54.77 -44.53 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.109 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.5 -42.03 86.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.969 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -74.26 -33.92 63.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.538 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 95.3 mt -59.62 -49.63 76.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.0 110.215 175.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.89 -37.5 84.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.639 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 111' ' ' ASP . 21.3 tp -62.08 -44.68 96.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.662 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.99 -44.74 96.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.002 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 45.2 mt-10 -59.14 -47.86 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 111.371 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -89.93 -51.65 5.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.18 -172.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -92.22 -35.95 13.53 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.61 174.63 18.91 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.011 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -78.04 -29.92 49.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.129 0.49 . . . . 0.0 109.916 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 7.5 p-10 -63.05 -38.2 90.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.203 177.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.87 -25.4 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.301 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.54 ' HA ' HD23 ' A' ' 102' ' ' LEU . 25.3 t70 -60.42 -47.6 85.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.712 176.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.661 HG23 HD11 ' A' ' 85' ' ' LEU . 43.9 mt -70.72 -35.23 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.704 174.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 7.4 t70 -66.1 -30.97 71.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.571 -174.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.2 p -55.01 -33.28 62.47 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.701 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.463 ' HD2' HD11 ' A' ' 86' ' ' LEU . 80.3 m-85 -68.2 -55.14 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.136 0.493 . . . . 0.0 110.046 178.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 56' ' ' ARG . 48.3 mm -63.4 -33.9 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.093 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.88 -5.95 50.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.211 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 27.5 t -95.52 104.68 16.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.877 0.37 . . . . 0.0 110.452 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 30.7 Cg_endo -63.63 -48.9 4.91 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.874 2.382 . . . . 0.0 112.812 -175.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.3 -54.6 30.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.508 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -69.27 -22.41 63.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.85 -173.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 1.001 HG21 ' HD3' ' A' ' 52' ' ' ARG . 68.8 m -80.29 -40.29 27.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.209 172.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -66.43 -35.89 81.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.976 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.8 p -66.39 -29.57 69.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.562 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 131' ' ' PRO . 1.2 t80 -91.87 -38.76 12.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.928 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 146.23 118.46 1.13 Allowed Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.712 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.5 -29.29 30.58 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -111.4 16.06 21.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.233 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.928 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 60.8 t -119.03 139.94 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.781 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.436 ' CG2' HG13 ' A' ' 17' ' ' VAL . 61.3 t -84.46 115.85 62.36 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.451 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.705 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 6.7 Cg_exo -73.61 93.42 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.742 2.295 . . . . 0.0 111.971 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 2' ' ' PRO . 27.0 p90 -92.92 178.29 5.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.202 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -57.5 130.73 47.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.85 0.357 . . . . 0.0 110.427 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 134' ' ' ARG . 46.1 mtp180 . . . . . 0 C--N 1.326 -0.413 0 CA-C-O 120.997 0.427 . . . . 0.0 111.586 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.444 ' HD2' ' OE2' ' A' ' 4' ' ' GLU . 83.6 Cg_endo . . . . . 0 N--CA 1.462 -0.355 0 N-CA-C 110.529 -0.604 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 17' ' ' VAL . 21.1 t -67.35 98.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.041 177.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.444 ' OE2' ' HD2' ' A' ' 2' ' ' PRO . 12.3 pt-20 -135.63 137.29 41.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.844 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.5 tp -93.16 117.36 29.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -89.52 169.42 11.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.053 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.84 -54.76 42.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.433 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.02 76.69 6.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.975 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -82.83 168.36 17.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.428 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 22.3 p -128.4 177.42 6.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.095 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -61.8 -53.12 60.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -173.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -32.35 62.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.428 ' HB3' ' H ' ' A' ' 10' ' ' SER . 36.4 t70 -62.02 -50.72 70.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.972 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 45' ' ' ARG . 54.3 tp -61.37 -44.41 97.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.956 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.27 -35.22 80.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.638 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -64.3 -37.65 88.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.899 0.38 . . . . 0.0 110.291 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.501 HG13 ' CG2' ' A' ' 130' ' ' VAL . 63.3 t -61.24 -52.88 56.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.27 174.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.491 HD13 ' HG2' ' A' ' 41' ' ' GLU . 76.1 mt -60.05 -44.28 94.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.92 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -59.97 -35.9 75.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.166 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.24 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.185 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.43 -43.82 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.568 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.665 -179.796 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD21 ' CB ' ' A' ' 61' ' ' SER . 66.7 mt . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 p -57.69 -27.11 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.711 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.5 m -60.39 -48.56 81.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.187 175.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -67.5 -37.74 83.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' A' ' 18' ' ' ILE . 1.1 tm-20 -59.69 -45.02 93.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.965 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -65.6 -30.4 71.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.847 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.0 mt -66.72 -44.75 80.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.517 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -76.07 -34.38 59.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.567 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.55 ' HA ' HD21 ' A' ' 14' ' ' LEU . 39.1 ttp180 -66.28 -35.72 81.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.323 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -76.25 -31.89 58.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.949 174.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.98 30.81 16.38 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.437 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 19.6 ptpt -96.76 -5.09 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.135 0.493 . . . . 0.0 110.88 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 pt -131.7 165.54 31.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.9 p -95.47 172.38 8.11 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 55' ' ' VAL . 96.5 t -68.11 -30.83 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.693 ' HG3' HG21 ' A' ' 122' ' ' THR . 12.1 ttm180 -54.07 -51.37 64.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.143 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -66.69 -40.7 88.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.48 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.402 ' HZ ' HG23 ' A' ' 18' ' ' ILE . 83.6 t80 -58.64 -50.14 74.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.059 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 51' ' ' VAL . 63.8 t -60.57 -41.31 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.82 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.561 ' HB2' HG21 ' A' ' 116' ' ' ILE . 2.7 ttt180 -59.69 -49.72 76.64 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.216 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.84 82.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.015 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 54' ' ' PHE . 93.7 t -66.72 -49.63 72.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.255 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.87 -29.86 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -93.11 8.91 38.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.489 ' CB ' HD21 ' A' ' 37' ' ' LEU . 74.1 m -115.61 85.2 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -170.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 69.48 -64.2 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 156.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.1 mt -42.4 113.09 0.41 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -164.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 61.69 23.18 13.55 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.461 172.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 78.2 tttt . . . . . 0 CA--C 1.519 -0.218 0 O-C-N 123.733 0.645 . . . . 0.0 109.869 178.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.427 ' HD2' ' OG1' ' A' ' 75' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.12 -25.87 66.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.216 0.531 . . . . 0.0 110.483 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.427 ' OG1' ' HD2' ' A' ' 73' ' ' PHE . 21.5 p -62.72 -34.76 77.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.71 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -65.93 -32.88 74.63 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.96 0.409 . . . . 0.0 110.534 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.4 -43.4 97.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.632 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.449 HD12 HG13 ' A' ' 96' ' ' VAL . 59.8 mt -64.38 -35.5 74.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.217 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.25 -50.24 74.44 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.27 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.24 -45.7 90.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.497 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.448 ' OD1' HD12 ' A' ' 85' ' ' LEU . 54.5 t-20 -57.18 -59.83 4.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.414 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.485 ' HD1' ' O ' ' A' ' 88' ' ' ARG . 3.2 t80 -57.14 -48.18 79.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.184 -176.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 88' ' ' ARG . 36.9 ttmt -71.39 -30.83 66.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.071 -171.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -91.49 -29.21 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.672 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.486 HD11 HG23 ' A' ' 112' ' ' ILE . 39.5 mt -90.35 -28.4 18.74 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.825 -176.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.4 mt -110.96 -19.69 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.48 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.02 15.1 81.62 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 120.478 -0.867 . . . . 0.0 111.398 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 8.2 ttt180 -128.09 150.87 49.77 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -177.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . . . -101.45 148.74 35.63 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.749 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.79 117.91 3.06 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.834 2.356 . . . . 0.0 111.701 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -105.24 -34.49 7.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.958 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -127.39 151.31 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.13 -35.68 81.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.521 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.3 t -63.38 -30.25 71.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.778 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 46.3 mt-10 -61.74 -46.61 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.301 0.572 . . . . 0.0 109.546 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.449 HG13 HD12 ' A' ' 78' ' ' ILE . 58.7 t -65.15 -50.37 74.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.812 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.5 -44.14 92.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -61.24 -41.3 96.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.941 0.401 . . . . 0.0 110.972 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 69.1 m-70 -76.11 -28.98 57.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.519 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 91.9 mt -60.58 -40.38 91.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.247 0.546 . . . . 0.0 109.753 172.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.33 -48.84 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.424 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 111' ' ' ASP . 44.5 tp -59.35 -44.98 92.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.977 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -58.14 -55.75 30.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.152 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -76.16 -18.57 59.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -171.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -93.9 -45.46 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -105.09 -35.85 7.48 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.402 -176.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.44 164.42 9.94 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.077 -1.059 . . . . 0.0 113.109 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -58.05 -48.82 78.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -74.94 -24.59 58.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.319 -174.535 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.36 82.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.118 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.468 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 31.3 t70 -69.0 -54.11 16.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.067 175.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.486 HG23 HD11 ' A' ' 85' ' ' LEU . 78.2 mt -52.26 -32.87 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.52 0.676 . . . . 0.0 110.776 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 18.0 t70 -63.26 -38.87 92.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.501 -177.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.2 p -63.22 -27.71 69.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.654 0.264 . . . . 0.0 111.699 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -68.5 -48.17 65.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.294 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.561 HG21 ' HB2' ' A' ' 56' ' ' ARG . 51.1 mm -74.61 -25.34 19.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.613 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -75.54 -19.48 59.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.502 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.9 p -61.81 108.1 1.43 Allowed Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 121.155 0.502 . . . . 0.0 111.197 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.74 -55.23 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.218 1.945 . . . . 0.0 112.685 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.3 -54.65 42.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.77 -176.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -65.38 -51.75 58.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.137 -175.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.693 HG21 ' HG3' ' A' ' 52' ' ' ARG . 88.4 m -61.45 -49.9 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.34 -28.39 67.11 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.272 -174.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.9 t -84.69 -37.06 21.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.625 0.25 . . . . 0.0 110.945 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -75.13 -38.47 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.454 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.783 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 153.0 120.88 0.84 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -91.38 -26.48 18.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.625 0.726 . . . . 0.0 109.232 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -111.45 6.83 20.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.783 173.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.783 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 60.2 t -103.27 140.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.645 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.501 ' CG2' HG13 ' A' ' 17' ' ' VAL . 94.4 t -81.91 130.58 60.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.457 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.87 93.88 0.08 OUTLIER 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.916 2.411 . . . . 0.0 112.376 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -101.37 154.33 18.89 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.551 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.4 112.71 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.315 -178.589 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo . . . . . 0 N--CA 1.463 -0.322 0 CA-C-O 120.606 0.169 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.44 121.52 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -139.93 141.67 36.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 -173.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 9' ' ' TRP . 64.8 tp -98.84 113.7 25.94 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -123.08 -168.67 1.8 Allowed 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.523 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 9' ' ' TRP . . . -67.13 -6.8 19.13 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.59 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -85.25 33.48 0.55 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.57 ' CD1' HD11 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -49.37 112.07 0.58 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.345 -178.377 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.418 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 43.4 t -144.76 173.01 12.21 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.425 -176.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -57.13 -50.29 73.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.44 -50.59 70.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.988 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.6 t70 -56.07 -59.81 4.38 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.804 -176.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD21 ' HG3' ' A' ' 45' ' ' ARG . 40.5 tp -60.41 -49.31 78.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.831 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -63.07 -40.41 97.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.737 -174.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.1 m -59.23 -40.42 85.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.952 0.406 . . . . 0.0 110.427 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 5' ' ' LEU . 96.4 t -64.97 -52.11 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.738 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.99 -44.62 98.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.048 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -65.64 -35.85 81.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.149 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.65 -29.44 70.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.118 0.485 . . . . 0.0 110.799 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 17' ' ' VAL . 87.1 t -73.44 -37.99 52.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.914 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.207 -179.865 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD12 HG22 ' A' ' 58' ' ' VAL . 91.0 mt . . . . . 0 N--CA 1.463 0.206 0 CA-C-O 121.006 0.431 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.23 -25.89 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.19 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.1 p -64.23 -48.74 74.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.236 0.541 . . . . 0.0 110.083 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.69 -40.34 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.707 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.84 -33.8 76.87 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.506 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.1 m -62.44 -44.32 96.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 0.0 110.273 174.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HB3' HG23 ' A' ' 49' ' ' ILE . 95.9 mt -57.16 -33.25 67.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 tp -84.12 -49.02 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.982 0.42 . . . . 0.0 111.405 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.461 ' HG3' HD21 ' A' ' 14' ' ' LEU . 48.9 ttm-85 -70.65 -22.99 62.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.679 -173.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -94.62 -0.04 54.77 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.61 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.93 54.12 4.63 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 114.197 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -116.44 -48.72 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.199 0.499 . . . . 0.0 112.048 175.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 43' ' ' LEU . 49.1 pt -103.0 172.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.233 0.539 . . . . 0.0 112.221 -172.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.651 ' HB ' ' OD1' ' A' ' 127' ' ' ASP . 30.4 p -93.9 179.43 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.815 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.569 ' HB ' ' HA ' ' A' ' 128' ' ' TRP . 80.2 t -77.55 -38.75 26.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.864 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HD3' HG21 ' A' ' 122' ' ' THR . 15.3 ptt180 -62.72 -30.91 71.77 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.151 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.24 -41.96 80.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.241 0.543 . . . . 0.0 109.792 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -61.92 -40.33 95.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.749 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.7 -44.27 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.506 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.619 ' HD2' ' OD1' ' A' ' 113' ' ' ASP . 16.1 ttp180 -58.28 -42.8 87.34 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.356 0.41 . . . . 0.0 111.131 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.52 -50.63 73.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.954 0.407 . . . . 0.0 110.813 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.447 HG22 HD12 ' A' ' 37' ' ' LEU . 12.1 t -73.96 -17.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.931 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.59 -11.05 49.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.185 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -114.57 10.7 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.16 0.505 . . . . 0.0 110.812 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.8 p -160.26 171.66 18.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.35 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 64' ' ' TYR . 35.3 mm-40 65.24 176.74 0.2 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.585 0.553 . . . . 0.0 111.316 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.551 ' O ' HD23 ' A' ' 63' ' ' LEU . 5.0 tt 72.18 -19.43 0.28 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.493 0.717 . . . . 0.0 111.036 177.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.484 ' H ' ' C ' ' A' ' 62' ' ' GLU . 37.8 m-85 81.34 -177.15 0.06 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.349 1.06 . . . . 0.0 111.693 174.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 12.2 mmmm . . . . . 0 N--CA 1.472 0.627 0 C-N-CA 123.547 0.739 . . . . 0.0 111.662 -176.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 77' ' ' VAL . 82.9 m-85 . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 120.561 0.22 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -65.67 -25.91 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.126 0.489 . . . . 0.0 110.849 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -60.41 -44.18 95.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.065 176.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -73.11 -21.21 60.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 73' ' ' PHE . 33.0 t -67.05 -29.82 47.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.451 HG21 ' HA ' ' A' ' 96' ' ' VAL . 51.1 mm -66.24 -54.04 30.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.831 175.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.71 -41.08 63.61 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.274 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 tt -52.48 -59.43 4.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.129 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.894 ' HA ' ' HB3' ' A' ' 84' ' ' HIS . 56.6 m-80 -81.17 -20.91 40.23 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CZ ' ' HA ' ' A' ' 90' ' ' PRO . 1.9 t80 -63.88 -41.61 97.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . 36.3 ttmt -83.11 -14.77 52.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.225 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.894 ' HB3' ' HA ' ' A' ' 81' ' ' ASN . 11.5 t-160 -84.36 -44.09 14.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.819 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.9 mt -104.28 -16.6 15.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 94.1 mt -117.81 -6.26 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 111.157 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.79 32.16 73.74 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.479 0.552 . . . . 0.0 114.479 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.772 HH21 ' HB2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -164.21 168.22 19.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.335 0.568 . . . . 0.0 111.184 177.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.91 156.96 82.2 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.27 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 32.2 Cg_exo -59.02 117.43 4.16 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.932 2.421 . . . . 0.0 111.939 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.772 ' HB2' HH21 ' A' ' 88' ' ' ARG . 15.1 t80 -86.53 -29.25 22.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.284 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.436 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 18.8 t70 -117.94 138.93 51.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.095 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -76.35 -29.16 57.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.172 -176.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 t -70.52 -27.51 64.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.436 ' HG2' ' HB3' ' A' ' 92' ' ' ASP . 33.3 mm-40 -56.25 -45.29 80.11 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.834 0.349 . . . . 0.0 110.065 172.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.451 ' HA ' HG21 ' A' ' 78' ' ' ILE . 49.0 t -59.26 -49.15 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.036 177.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.2 mt -58.77 -50.15 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.207 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -57.61 -45.35 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.474 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -73.88 -27.28 60.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.285 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 49.4 mt -68.26 -47.55 67.44 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 171.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.73 -44.88 93.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.793 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.0 tp -64.45 -49.13 72.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.542 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.44 ' HD1' ' HB2' ' A' ' 108' ' ' PHE . 24.4 t80 -56.74 -45.14 82.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.629 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.71 -52.61 56.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.749 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -80.23 -58.88 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -94.81 -9.68 33.74 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.791 -171.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.4 164.78 29.59 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.723 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.44 ' HB2' ' HD1' ' A' ' 103' ' ' TYR . 54.6 t80 -76.37 -28.68 56.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.019 0.438 . . . . 0.0 110.362 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -58.03 -44.78 87.53 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.968 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.32 -35.54 73.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.632 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.53 -45.41 91.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.155 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 40.3 mm -57.21 -43.76 82.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.619 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 78.3 m-20 -59.46 -32.4 70.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -62.08 -43.08 99.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.673 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -61.68 -48.08 82.41 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.257 0.551 . . . . 0.0 110.646 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.552 HG13 ' HB2' ' A' ' 56' ' ' ARG . 42.1 mm -71.64 -25.19 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.391 -174.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -79.62 -30.59 41.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.228 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 55.0 m -55.02 107.35 0.85 Allowed Pre-proline 0 CA--C 1.533 0.304 0 O-C-N 123.455 0.472 . . . . 0.0 112.067 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 30.8 Cg_endo -65.33 -43.25 11.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.058 2.506 . . . . 0.0 113.024 -175.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -51.98 -56.28 15.22 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 111.15 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -75.15 -38.02 61.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.437 -173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.552 HG21 ' HD3' ' A' ' 52' ' ' ARG . 88.3 m -66.43 -42.37 87.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.836 0.35 . . . . 0.0 111.194 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.89 -29.25 60.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.653 0.263 . . . . 0.0 111.392 -176.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.6 p -78.94 -37.74 38.93 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.262 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -84.71 -39.75 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.044 -0.263 . . . . 0.0 110.958 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.4 126.03 3.43 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.192 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.651 ' OD1' ' HB ' ' A' ' 50' ' ' THR . 15.6 t0 -64.05 -45.04 90.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.556 0.693 . . . . 0.0 110.353 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.569 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 79.8 m95 -94.19 17.59 12.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.89 -171.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.43 134.73 42.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.802 0.335 . . . . 0.0 110.852 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 77.5 t -77.33 125.67 86.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.937 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -43.69 125.13 4.8 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 124.136 3.224 . . . . 0.0 114.843 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.495 ' HD1' ' O ' ' A' ' 133' ' ' TYR . 3.3 p90 -122.93 166.93 14.25 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 169.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.495 ' O ' ' HD1' ' A' ' 132' ' ' TYR . 41.7 t80 -67.12 137.02 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 . . . . . 0 N--CA 1.471 0.619 0 C-N-CA 123.84 0.856 . . . . 0.0 109.946 -172.01 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo . . . . . 0 C--O 1.233 0.255 0 CA-C-O 120.728 0.22 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.71 117.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.392 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -140.46 158.85 43.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 tp -93.95 103.03 15.14 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -92.02 165.19 13.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.622 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.84 51.58 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.963 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.1 t30 173.72 74.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -121.08 156.62 31.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.702 -174.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -122.61 -178.79 4.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.158 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.98 -38.87 80.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 111.008 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.06 -44.66 95.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.371 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -64.36 -45.34 88.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.293 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.644 ' O ' HG12 ' A' ' 18' ' ' ILE . 36.0 tp -63.87 -44.57 92.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.669 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.21 -36.97 76.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.074 0.464 . . . . 0.0 110.365 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.5 m -60.38 -39.9 88.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.095 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.8 t -68.25 -42.52 84.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.259 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 14' ' ' LEU . 40.5 mm -54.4 -59.03 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.228 0.537 . . . . 0.0 110.519 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -69.39 -23.05 63.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.977 -175.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.61 67.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.944 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.36 -40.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.534 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.044 -178.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 61' ' ' SER . 6.9 mp . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 121.05 0.452 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.45 -32.99 56.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.815 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.554 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 18.1 p -58.33 -57.57 12.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.401 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.35 98.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.459 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -59.49 -53.77 54.34 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.939 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 p -61.69 -38.77 89.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 111.324 -176.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 39' ' ' SER . 98.8 mt -63.98 -35.95 82.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.076 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.1 tp -82.92 -34.61 26.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.195 0.521 . . . . 0.0 110.437 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG3' ' CD2' ' A' ' 14' ' ' LEU . 34.9 ttt180 -68.58 -23.23 64.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.588 -175.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -98.57 -8.25 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.069 0.461 . . . . 0.0 110.043 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.17 33.74 28.28 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.915 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD3' HD22 ' A' ' 43' ' ' LEU . 58.1 tttp -87.61 -39.75 14.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.912 0.387 . . . . 0.0 110.471 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.7 pt -111.46 176.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.267 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -177.88 3.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.477 HG12 HG23 ' A' ' 55' ' ' VAL . 42.6 t -69.33 -26.83 32.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.76 -51.85 53.2 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.057 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -68.88 -41.02 78.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.653 0.263 . . . . 0.0 110.612 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.96 -47.74 85.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.236 -176.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.477 HG23 HG12 ' A' ' 51' ' ' VAL . 88.1 t -60.89 -47.16 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.481 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HG3' HG13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.52 -42.52 92.42 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.101 0.477 . . . . 0.0 110.345 178.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -55.17 33.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.081 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.41 -36.63 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.07 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.72 71.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.587 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 49.3 mttp -94.47 -26.95 16.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.433 177.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.463 ' HA ' HD11 ' A' ' 37' ' ' LEU . 34.2 m 51.36 -112.03 0.6 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -164.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -173.46 104.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.149 0.5 . . . . 0.0 110.247 168.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 63' ' ' LEU . 24.8 tp 57.41 25.4 11.29 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.29 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.18 32.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.651 0.738 . . . . 0.0 109.866 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 57.0 pttt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.531 -175.279 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 C--O 1.233 0.221 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 78' ' ' ILE . 84.7 mm-40 -57.58 -37.42 73.13 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.333 0.396 . . . . 0.0 111.935 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 p -62.18 -39.39 92.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.971 0.415 . . . . 0.0 110.84 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -37.17 86.3 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.576 177.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.435 ' HA ' HD12 ' A' ' 80' ' ' LEU . 54.0 t -68.19 -38.67 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.536 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 74' ' ' GLN . 76.3 mt -60.08 -39.44 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.278 0.561 . . . . 0.0 110.274 176.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -63.02 -40.09 96.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.305 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 77' ' ' VAL . 92.6 mt -66.52 -59.27 3.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.865 -178.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.462 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 31.3 p30 -64.32 -38.38 90.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -171.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -80.82 -24.85 38.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.459 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 34.0 ttmt -75.23 -15.11 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 173.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -95.02 -25.28 16.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.928 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.531 HD11 HG23 ' A' ' 112' ' ' ILE . 95.1 mt -94.82 -50.75 5.0 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.914 0.388 . . . . 0.0 111.796 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.1 mt -97.83 -18.09 18.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.16 0.505 . . . . 0.0 110.072 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 83' ' ' LYS . . . 80.37 22.25 63.04 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.371 -175.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.421 ' N ' ' HA ' ' A' ' 83' ' ' LYS . 42.4 ttm180 -152.68 145.75 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.554 0.216 . . . . 0.0 110.48 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.43 160.18 81.84 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.476 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.02 149.64 11.32 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.148 2.565 . . . . 0.0 112.374 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -107.03 -39.52 5.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.763 -171.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 96' ' ' VAL . 28.8 t70 -127.55 143.8 51.14 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.875 -174.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.545 ' O ' HG12 ' A' ' 97' ' ' ILE . 40.6 tt0 -63.01 -37.0 85.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.627 -176.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 m -65.91 -38.87 89.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.759 0.314 . . . . 0.0 110.974 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 1.6 pp20? -75.43 -29.36 59.68 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.278 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.596 ' HA ' ' HD2' ' A' ' 99' ' ' HIS . 89.6 t -60.13 -44.6 95.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.937 0.399 . . . . 0.0 109.994 172.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 93' ' ' GLU . 51.6 mm -59.23 -36.99 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.344 177.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' A' ' 95' ' ' GLU . 84.6 t80 -58.96 -41.35 87.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.909 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.596 ' HD2' ' HA ' ' A' ' 96' ' ' VAL . 82.8 m-70 -65.25 -42.64 93.08 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.229 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.98 -42.89 99.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.371 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.25 -46.78 85.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.036 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 111' ' ' ASP . 25.7 tp -66.11 -35.27 80.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.516 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.39 -39.95 95.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.807 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -83.4 -17.98 40.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.351 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -82.82 -58.21 2.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.655 0.264 . . . . 0.0 111.15 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -114.02 -37.06 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.418 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 128.93 -179.4 16.68 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.206 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -71.1 -21.54 62.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.152 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.587 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -58.71 -53.99 52.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.634 175.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.05 98.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.596 ' HA ' HD23 ' A' ' 102' ' ' LEU . 38.7 t70 -64.29 -34.31 77.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.956 0.407 . . . . 0.0 110.88 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.531 HG23 HD11 ' A' ' 85' ' ' LEU . 76.8 mt -75.69 -31.2 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.958 0.408 . . . . 0.0 110.642 174.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -69.94 -21.62 63.25 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.471 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.4 p -58.36 -34.76 71.02 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.055 0.455 . . . . 0.0 110.928 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -64.22 -30.46 71.51 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.937 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.508 HG13 ' HG3' ' A' ' 56' ' ' ARG . 45.7 mm -92.2 -22.32 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.376 0.608 . . . . 0.0 110.078 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.501 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 22.7 t70 -75.24 -26.82 59.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.901 -177.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.5 m -84.63 97.41 0.49 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.281 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 17.9 Cg_endo -58.83 -48.45 14.58 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.901 2.401 . . . . 0.0 113.286 -167.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.62 -49.54 76.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.104 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -65.85 -47.29 75.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.456 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.7 m -61.7 -55.2 32.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.438 . . . . 0.0 111.238 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.691 ' HA ' ' HB2' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -64.37 -28.12 69.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.255 -172.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.5 m -65.78 -52.2 52.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.524 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 20.7 p90 -128.86 -12.91 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.514 -0.874 . . . . 0.0 113.22 -172.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -122.93 29.28 5.41 Favored Glycine 0 C--O 1.229 -0.166 0 C-N-CA 119.797 -1.192 . . . . 0.0 113.63 -174.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.691 ' HB2' ' HA ' ' A' ' 123' ' ' ASN . 22.9 t70 -101.34 -50.23 3.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.998 0.428 . . . . 0.0 110.289 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -111.27 -18.22 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.026 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 125' ' ' PHE . 25.8 t -104.0 148.38 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.259 -175.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 97.1 t -85.8 122.16 73.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.374 177.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.49 ' HB3' ' HE2' ' A' ' 125' ' ' PHE . 17.4 Cg_exo -66.76 114.72 3.24 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.875 2.384 . . . . 0.0 112.227 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -109.11 160.4 16.1 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.424 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 42.9 p90 -61.71 127.45 31.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.782 0.801 . . . . 0.0 111.827 -174.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.322 179.185 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo . . . . . 0 N--CA 1.451 -1.009 0 N-CA-C 111.488 -0.236 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.53 99.22 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 128' ' ' TRP . 42.8 tt0 -139.24 138.74 37.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.603 -175.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.7 tp -84.2 124.47 31.21 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -79.08 150.57 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.32 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.83 -50.29 73.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.316 0.579 . . . . 0.0 109.58 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.32 81.14 4.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -87.49 156.15 19.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.43 0.633 . . . . 0.0 111.425 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.516 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 2.9 m -116.93 169.13 9.63 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.076 176.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.34 -47.45 75.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.369 . . . . 0.0 110.664 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.76 -34.24 77.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.516 ' HB3' ' H ' ' A' ' 10' ' ' SER . 38.9 t70 -66.45 -51.6 55.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.978 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.67 -42.15 87.82 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.39 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.59 -46.51 83.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.7 m -56.85 -43.64 81.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 21' ' ' VAL . 62.9 t -64.38 -58.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.241 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.14 -35.12 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.964 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -68.14 -38.16 81.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.639 0.257 . . . . 0.0 110.7 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.62 76.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.191 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 17' ' ' VAL . 86.3 t -65.66 -42.43 92.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.054 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.931 0.396 . . . . 0.0 111.262 -179.724 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 121.022 0.439 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.21 -28.25 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.104 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.653 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 4.4 p -63.65 -51.56 64.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.561 176.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.38 95.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.713 -176.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -26.93 65.29 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.989 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.8 m -76.74 -41.0 46.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.28 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 39' ' ' SER . 86.1 mt -62.11 -39.13 91.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.693 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.28 -41.86 93.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.223 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.49 -41.91 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -79.14 -3.48 45.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.24 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.4 27.04 73.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.332 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' HD22 ' A' ' 43' ' ' LEU . 23.6 ttmm -87.83 -29.95 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.166 0.507 . . . . 0.0 110.212 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.9 pt -124.12 158.36 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.532 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.625 ' HB ' ' OD2' ' A' ' 127' ' ' ASP . 15.0 p -91.19 179.19 5.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.646 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.596 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 81.1 t -72.69 -33.2 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.686 ' HG3' HD12 ' A' ' 116' ' ' ILE . 3.4 tpp180 -64.86 -35.65 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' A' ' 56' ' ' ARG . 5.2 mm-40 -66.24 -40.67 90.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.809 177.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.0 t80 -59.92 -44.32 94.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.054 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 51' ' ' VAL . 90.8 t -62.57 -43.08 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.625 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.628 ' HD3' HG13 ' A' ' 116' ' ' ILE . 10.0 ttp180 -60.45 -42.73 96.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.775 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.98 98.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.382 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 54' ' ' PHE . 83.8 t -68.99 -44.28 81.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.972 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HB1' HD13 ' A' ' 112' ' ' ILE . . . -67.12 -43.69 81.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -174.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.594 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . 18.2 ptpt -92.71 8.36 39.58 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.6 p -84.49 -81.03 0.19 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.97 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.91 101.4 3.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.5 0.667 . . . . 0.0 111.579 -177.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.9 mt -110.63 -29.54 7.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.435 172.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 60.93 -161.2 0.29 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.991 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 CA-C-O 120.986 0.422 . . . . 0.0 110.587 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.638 0.256 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -59.55 -29.87 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.957 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 p -60.59 -37.83 82.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 14.3 ttm180 -83.84 -23.72 31.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.691 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.56 -45.45 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' A' ' 99' ' ' HIS . 58.4 mt -63.61 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.25 174.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.27 -43.5 78.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.674 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 96.2 mt -65.39 -43.01 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.666 ' HB3' ' HE2' ' A' ' 115' ' ' TYR . 97.4 m-20 -59.05 -54.62 45.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.882 0.372 . . . . 0.0 110.659 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.85 -42.73 85.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.365 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 88' ' ' ARG . 43.6 tttm -77.95 -32.24 51.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.941 -171.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.66 -34.1 12.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.8 mt -91.16 -34.47 15.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.64 0.257 . . . . 0.0 111.677 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.1 mt -108.73 -6.66 15.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.689 0.281 . . . . 0.0 110.94 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 133' ' ' TYR . . . 60.06 50.1 71.33 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.661 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 13.6 ptp180 -167.19 174.79 7.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.748 0.309 . . . . 0.0 110.762 -176.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.36 159.05 30.57 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.77 132.56 46.98 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.397 2.065 . . . . 0.0 111.554 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -68.56 -48.03 65.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.108 0.48 . . . . 0.0 110.816 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 95' ' ' GLU . 10.5 t70 -132.68 154.72 49.87 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' O ' HG12 ' A' ' 97' ' ' ILE . 28.8 tt0 -75.69 -25.27 56.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.821 0.343 . . . . 0.0 110.119 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.7 m -63.61 -31.14 72.22 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 13.1 mm-40 -58.2 -50.46 73.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.987 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.568 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 61.9 t -56.21 -44.28 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.384 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.488 ' HA ' HD12 ' A' ' 100' ' ' LEU . 48.2 mm -58.42 -46.51 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -62.52 -42.79 99.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.493 ' HB2' HD13 ' A' ' 78' ' ' ILE . 83.5 m-70 -66.62 -27.7 67.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.12 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 96.1 mt -61.25 -48.79 79.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.189 0.518 . . . . 0.0 109.646 173.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.56 -40.25 92.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.496 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.519 HD21 ' OG ' ' A' ' 114' ' ' SER . 40.7 tp -59.22 -43.97 92.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.5 -41.79 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.754 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -70.89 -35.82 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.412 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.33 -57.98 3.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -100.21 -36.52 9.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.883 0.373 . . . . 0.0 111.946 -169.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.29 175.21 14.72 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.307 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -73.99 -34.97 64.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.142 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.594 ' HB2' ' HB2' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -74.71 -26.17 59.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.053 0.454 . . . . 0.0 110.004 -177.296 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.3 -34.73 36.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.594 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -58.38 -42.06 86.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.364 0.602 . . . . 0.0 109.501 175.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.525 HD13 ' HB1' ' A' ' 59' ' ' ALA . 86.9 mt -66.37 -40.27 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.871 175.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.626 ' OD2' ' HD2' ' A' ' 56' ' ' ARG . 10.9 t70 -61.57 -32.35 72.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.284 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.519 ' OG ' HD21 ' A' ' 102' ' ' LEU . 12.1 m -61.31 -30.0 70.22 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.507 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.666 ' HE2' ' HB3' ' A' ' 81' ' ' ASN . 11.2 m-85 -69.12 -32.54 72.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 109.81 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.686 HD12 ' HG3' ' A' ' 52' ' ' ARG . 17.1 mm -82.56 -27.96 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.52 -176.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.438 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 28.3 t70 -74.87 -16.35 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.617 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -77.15 105.42 2.47 Favored Pre-proline 0 C--O 1.24 0.58 0 CA-C-O 121.345 0.593 . . . . 0.0 110.547 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 43.2 Cg_endo -69.01 -55.55 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.82 2.347 . . . . 0.0 113.546 -170.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.45 -40.01 92.93 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.976 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -62.52 -38.69 90.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.458 HG23 ' HE ' ' A' ' 52' ' ' ARG . 96.6 m -72.65 -41.84 65.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.865 0.365 . . . . 0.0 110.941 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.81 -52.64 23.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.056 -175.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.8 t -69.84 -17.32 63.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.597 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.808 ' HZ ' ' H ' ' A' ' 132' ' ' TYR . 47.4 t80 -89.49 -31.72 17.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.028 0.442 . . . . 0.0 110.586 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 100.48 109.18 3.1 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -175.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.625 ' OD2' ' HB ' ' A' ' 50' ' ' THR . 21.0 t70 -59.93 -37.38 79.34 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.483 ' HA ' HG21 ' A' ' 51' ' ' VAL . 48.2 m95 -79.03 -4.91 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.439 -171.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.02 123.28 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.888 0.375 . . . . 0.0 110.538 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.478 HG13 ' HD2' ' A' ' 131' ' ' PRO . 88.0 t -69.95 136.41 87.39 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.478 ' HD2' HG13 ' A' ' 130' ' ' VAL . 84.3 Cg_exo -20.3 95.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 1 C-N-CA 125.631 4.22 . . . . 0.0 114.794 -174.642 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.808 ' H ' ' HZ ' ' A' ' 125' ' ' PHE . 26.2 t80 -93.18 130.32 38.9 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.428 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.59 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 60.7 m-85 -78.7 98.89 6.39 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.419 0.628 . . . . 0.0 111.671 -176.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.62 173.308 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo . . . . . 0 C--O 1.233 0.265 0 CA-C-O 120.953 0.314 . . . . 0.0 112.185 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.534 HG12 HG22 ' A' ' 17' ' ' VAL . 38.7 t -81.2 123.53 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.667 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -100.05 158.38 15.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.116 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 tp -114.31 100.67 8.51 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HG2' ' H ' ' A' ' 6' ' ' ARG . 6.2 ptp85 -84.95 157.54 20.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.972 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.35 -33.28 75.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -104.34 87.46 2.74 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 172.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -103.54 164.29 11.76 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.366 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -102.38 155.11 18.46 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 170.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 32.8 tt0 -58.27 -45.07 88.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.539 0.209 . . . . 0.0 110.886 -175.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -59.94 -46.83 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.164 0.507 . . . . 0.0 110.599 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.92 -38.27 90.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.298 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.572 HD21 ' HA ' ' A' ' 45' ' ' ARG . 40.3 tp -60.93 -47.36 86.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.89 176.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 43.4 mt-10 -66.1 -28.17 68.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.444 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.7 m -62.25 -38.88 90.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.045 0.45 . . . . 0.0 109.817 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.534 HG22 HG12 ' A' ' 3' ' ' VAL . 58.9 t -65.64 -51.32 64.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.307 176.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.99 -46.79 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.074 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 58.9 ttp180 -68.66 -23.77 64.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.223 -177.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.41 66.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.252 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.03 -48.32 25.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 1.7 p90 . . . . . 0 C--N 1.329 -0.315 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.514 HD13 HG22 ' A' ' 58' ' ' VAL . 80.5 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.631 0.253 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -62.49 -40.14 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.295 -176.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 50.4 m -68.22 -35.63 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.913 0.387 . . . . 0.0 110.403 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.67 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.219 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.1 -45.14 94.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.485 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m -59.87 -40.08 87.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.606 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 39' ' ' SER . 85.9 mt -63.23 -34.81 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.641 0.257 . . . . 0.0 110.957 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.2 tp -71.86 -38.83 70.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.049 0.452 . . . . 0.0 109.808 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.572 ' HA ' HD21 ' A' ' 14' ' ' LEU . 3.8 tmt_? -64.97 -34.55 78.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.979 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -78.09 -4.41 47.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.601 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.53 32.78 79.63 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 121.266 -0.492 . . . . 0.0 112.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HD2' HD22 ' A' ' 43' ' ' LEU . 24.0 ttmm -93.11 -44.17 8.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.61 0.243 . . . . 0.0 111.019 -176.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.7 pt -98.19 176.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.728 0.299 . . . . 0.0 111.295 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.1 p -98.72 171.93 7.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.315 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.93 -41.32 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.477 ' HE ' HG21 ' A' ' 122' ' ' THR . 1.0 OUTLIER -54.76 -44.27 73.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.525 175.466 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.8 -44.68 95.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.779 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.551 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 61.2 t80 -61.57 -45.42 94.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.357 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.39 -42.29 87.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.524 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.505 ' HG3' HD13 ' A' ' 116' ' ' ILE . 35.4 ttp85 -56.08 -50.93 69.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.886 0.374 . . . . 0.0 110.872 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.31 92.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.357 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 37' ' ' LEU . 42.1 t -73.03 -37.71 54.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.231 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.46 -23.17 64.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.471 ' HA ' HD13 ' A' ' 112' ' ' ILE . 77.4 mttt -93.53 15.6 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.5 p -96.1 149.15 21.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.31 82.13 6.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.133 0.492 . . . . 0.0 110.9 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 64' ' ' TYR . 38.2 tp -82.67 111.42 18.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.815 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 82.4 m-85 72.39 -60.9 0.51 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.883 0.739 . . . . 0.0 110.953 -176.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 65' ' ' LYS . 25.8 tptt . . . . . 0 C--N 1.321 -0.672 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--O 1.232 0.182 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.449 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 7.0 tp60 -65.8 -25.6 67.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.017 -176.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.417 ' HA ' HD12 ' A' ' 78' ' ' ILE . 37.1 p -57.89 -29.51 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 27.4 ttm180 -66.99 -37.54 84.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.626 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.57 -32.5 58.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.415 0.626 . . . . 0.0 109.705 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 64.2 mt -66.66 -42.52 89.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.243 175.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 75' ' ' THR . 47.3 mt-10 -62.16 -37.57 85.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.593 177.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.9 mt -62.39 -38.67 90.54 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.419 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 8.4 m-80 -55.67 -57.09 13.41 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.385 0.612 . . . . 0.0 110.529 174.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.531 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 8.0 m-85 -65.1 -34.76 79.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.959 -173.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 133' ' ' TYR . 87.3 tttt -75.11 -51.06 14.39 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.63 -177.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -91.89 -24.26 19.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -169.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.8 mt -101.25 -47.1 4.83 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.475 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.9 -26.09 24.1 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.193 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.614 ' HA2' ' HA ' ' A' ' 133' ' ' TYR . . . 76.93 27.01 61.2 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.421 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 35.6 tpt85 -158.32 133.27 8.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.586 0.193 . . . . 0.0 110.653 -176.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.24 152.86 87.4 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.713 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.41 150.31 42.51 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.255 2.637 . . . . 0.0 113.315 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.472 ' OH ' ' HG2' ' A' ' 88' ' ' ARG . 95.7 m-85 -99.09 -59.9 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 -177.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -130.45 -165.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.15 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -87.23 -32.69 19.63 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -172.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.2 p -62.67 -34.35 76.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 111.558 -171.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.424 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . 9.3 pt-20 -66.31 -38.17 87.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.604 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.69 -48.71 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.833 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.79 -41.99 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.577 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -54.52 -50.88 66.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.34 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 41.5 m-70 -68.57 -30.43 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.219 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.51 -51.92 56.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.131 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.4 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.32 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.46 -41.79 99.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.744 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -70.56 -32.67 70.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.29 -45.51 69.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.707 0.289 . . . . 0.0 110.787 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -83.02 -57.74 3.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -174.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -102.44 -33.33 9.57 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.739 -173.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.09 -172.46 15.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.392 174.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.542 ' O ' HG13 ' A' ' 112' ' ' ILE . 50.1 p90 -70.07 -19.96 63.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.583 -0.309 . . . . 0.0 111.567 -175.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.07 -48.28 76.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.029 0.442 . . . . 0.0 110.041 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.0 64.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.309 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.8 -33.51 68.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.311 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.542 HG13 ' O ' ' A' ' 108' ' ' PHE . 62.9 mt -74.56 -42.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.473 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 116' ' ' ILE . 1.1 m-20 -63.44 -18.55 63.86 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.348 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -50.06 -39.38 41.93 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.02 0.438 . . . . 0.0 111.403 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -77.17 -30.46 54.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.362 0.601 . . . . 0.0 110.714 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 113' ' ' ASP . 14.6 mt -83.87 -15.95 11.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.017 -172.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -93.95 -3.39 51.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.01 0.434 . . . . 0.0 111.084 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -107.95 89.99 6.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.863 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.17 -46.43 8.01 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.816 2.344 . . . . 0.0 112.536 -175.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -58.21 -47.56 83.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.55 -44.35 96.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.477 HG21 ' HE ' ' A' ' 52' ' ' ARG . 24.7 m -64.13 -43.83 94.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.637 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.445 ' HA ' ' OD1' ' A' ' 127' ' ' ASP . 2.6 t-20 -64.16 -38.73 92.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -176.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.0 m -75.39 -40.43 57.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 111.022 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -74.99 -38.56 61.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.477 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.553 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 144.7 78.41 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.496 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 123' ' ' ASN . 5.1 p-10 -68.87 -17.27 63.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.401 ' HD1' ' OD2' ' A' ' 127' ' ' ASP . 68.5 m95 -127.23 27.56 5.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.117 173.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.553 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 58.0 t -131.24 147.67 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.116 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 67.7 t -71.19 126.25 91.94 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 120.596 0.236 . . . . 0.0 110.575 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 130' ' ' VAL . 50.5 Cg_exo -55.25 126.93 24.2 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.34 2.694 . . . . 0.0 113.095 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -131.95 140.91 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.765 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.614 ' HA ' ' HA2' ' A' ' 87' ' ' GLY . 4.2 p90 -83.27 108.61 16.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.086 0.469 . . . . 0.0 112.017 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 44.1 ttp85 . . . . . 0 N--CA 1.465 0.306 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.92 176.123 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo . . . . . 0 C--O 1.234 0.29 0 CA-C-O 120.958 0.316 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 t -74.84 106.37 4.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.4 ' CD ' HH21 ' A' ' 6' ' ' ARG . 9.9 pt-20 -112.66 149.76 32.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.906 -175.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.6 tp -104.68 100.14 9.8 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 168.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.4 HH21 ' CD ' ' A' ' 4' ' ' GLU . 4.2 ptp180 -90.83 170.61 9.95 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.272 -174.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.56 78.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.955 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -108.55 76.08 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.13 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -93.47 165.2 12.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.977 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.3 m -123.41 167.91 13.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.13 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 15.2 mm-40 -58.51 -53.34 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.561 0.219 . . . . 0.0 111.124 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.56 -31.12 71.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.412 0.625 . . . . 0.0 110.751 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 17' ' ' VAL . 30.5 t70 -72.36 -38.55 68.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.517 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.3 tp -64.12 -41.63 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.262 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 18.0 mm-40 -55.35 -42.9 74.5 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.354 0.597 . . . . 0.0 109.718 173.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 m -63.18 -43.78 97.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.892 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 13' ' ' ASP . 86.2 t -62.63 -52.25 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.443 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 pt -64.83 -36.21 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.589 -175.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 69.3 mtp180 -76.13 -27.29 56.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.736 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.47 70.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.116 0.484 . . . . 0.0 110.051 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -75.45 -41.66 42.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.166 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.43 ' CD1' HG11 ' A' ' 58' ' ' VAL . 25.1 p90 . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 121.24 0.543 . . . . 0.0 111.451 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.475 HD13 HG22 ' A' ' 58' ' ' VAL . 66.9 mt . . . . . 0 N--CA 1.455 -0.187 0 CA-C-O 120.791 0.329 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.69 -28.9 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.14 174.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 13.1 m -68.5 -34.64 76.24 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.988 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.9 -36.92 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.642 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.93 -49.07 79.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.65 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.3 p -66.26 -39.06 89.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.217 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 39' ' ' SER . 67.9 mt -61.17 -40.25 93.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.649 0.261 . . . . 0.0 111.085 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.9 tp -74.46 -45.1 48.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.007 0.432 . . . . 0.0 110.55 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 45' ' ' ARG . 36.2 ttt85 -63.44 -34.56 78.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.177 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.533 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 7.8 t-20 -80.81 -12.7 59.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 110.301 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.2 28.14 56.58 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.733 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 41.1 mtpt -89.11 -26.41 21.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.945 0.402 . . . . 0.0 110.365 -178.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 pp -129.89 165.61 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.3 p -96.23 173.83 7.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 55' ' ' VAL . 48.4 t -61.42 -28.81 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.072 0.463 . . . . 0.0 109.956 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.722 ' HG2' HG21 ' A' ' 122' ' ' THR . 1.9 tmm_? -57.19 -48.51 78.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.357 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.09 -39.76 86.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.64 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.68 -45.68 93.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.796 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 51' ' ' VAL . 84.0 t -61.15 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.556 ' HD2' HG21 ' A' ' 116' ' ' ILE . 20.5 ttt180 -60.31 -45.06 94.72 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.736 0.303 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.13 -55.0 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.899 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.475 HG22 HD13 ' A' ' 37' ' ' LEU . 35.0 t -69.81 -28.96 38.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.092 -177.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.94 75.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.116 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -101.98 13.92 33.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.11 0.481 . . . . 0.0 111.342 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.449 ' OG ' HD21 ' A' ' 37' ' ' LEU . 73.8 m -99.23 -47.42 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.192 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -121.67 -172.56 2.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.177 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mp 66.53 23.99 10.35 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.642 0.589 . . . . 0.0 111.063 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -90.07 -20.74 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.867 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 tptm . . . . . 0 C--N 1.331 -0.199 0 CA-C-O 120.419 0.152 . . . . 0.0 110.723 -179.92 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.216 0.531 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.411 ' O ' HG12 ' A' ' 78' ' ' ILE . 11.5 mm100 -66.47 -25.97 66.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.763 -177.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -61.3 -32.97 72.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.825 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.554 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 10.2 mmt180 -74.1 -27.65 60.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.342 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.417 ' HA ' HD12 ' A' ' 80' ' ' LEU . 48.2 t -69.4 -37.85 76.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 175.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 74' ' ' GLN . 43.2 mm -60.69 -44.09 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.707 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.9 -39.64 92.69 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.438 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 92.5 mt -59.81 -50.7 72.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.54 -44.6 90.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.535 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 2.3 m-85 -57.65 -48.61 79.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.041 0.448 . . . . 0.0 111.428 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . 34.0 ttmt -70.21 -34.5 72.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.108 -175.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -86.14 -33.77 20.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.7 mt -99.76 -39.05 8.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -173.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.4 mt -110.36 -12.5 14.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.62 -175.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 68.05 28.06 73.5 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.639 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.535 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 13.2 ptm180 -140.42 153.01 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.759 0.314 . . . . 0.0 110.435 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.83 155.82 38.82 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.682 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.73 121.29 7.77 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.914 2.409 . . . . 0.0 112.222 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -83.36 -42.84 16.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.879 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -133.23 157.82 44.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.423 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.0 -33.47 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.342 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -57.83 -40.55 80.28 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.762 -177.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.463 ' HB3' ' OH ' ' A' ' 82' ' ' TYR . 32.1 mt-10 -60.07 -42.51 94.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.209 0.528 . . . . 0.0 110.5 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.5 t -68.75 -52.7 32.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.695 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.14 -40.54 83.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.457 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.47 -54.51 46.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.837 0.351 . . . . 0.0 111.107 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -67.36 -35.1 78.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.905 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.87 -52.46 65.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.037 0.446 . . . . 0.0 110.429 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.1 -43.42 95.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.748 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.5 -50.33 71.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.023 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.18 -49.72 73.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.444 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.75 -34.1 76.16 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -83.36 -58.2 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.993 -177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -91.95 -36.27 13.53 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.517 -0.473 . . . . 0.0 112.16 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.37 176.9 14.6 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 119.955 -1.117 . . . . 0.0 113.598 174.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -64.17 -38.95 92.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.149 -0.526 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.77 -38.48 81.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.394 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.78 74.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.379 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.08 -50.25 72.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.376 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 43.2 mm -56.22 -41.22 69.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.78 -36.4 69.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.187 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.2 m -57.69 -37.47 73.51 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.456 ' HE1' ' CE1' ' A' ' 82' ' ' TYR . 50.6 m-85 -78.82 -26.75 44.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.192 0.52 . . . . 0.0 110.746 -175.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.556 HG21 ' HD2' ' A' ' 56' ' ' ARG . 37.1 mm -93.02 -20.28 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.552 -176.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -85.39 5.64 30.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.328 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 12.7 p -106.01 89.03 3.39 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 172.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 12.1 Cg_endo -56.23 -51.02 10.33 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.219 2.613 . . . . 0.0 113.692 -171.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.678 ' HA ' ' OD1' ' A' ' 123' ' ' ASN . 36.0 tt0 -70.12 -37.82 75.41 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.837 -173.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -62.15 -28.08 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.737 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.722 HG21 ' HG2' ' A' ' 52' ' ' ARG . 25.5 m -83.3 -56.08 3.97 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.147 177.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.856 ' HA ' ' HB3' ' A' ' 127' ' ' ASP . 1.8 p-10 -71.02 -26.28 63.04 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -170.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.4 t -85.95 -4.28 59.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.667 0.27 . . . . 0.0 111.153 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -116.36 -39.42 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -176.08 81.06 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.68 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.856 ' HB3' ' HA ' ' A' ' 123' ' ' ASN . 22.9 p-10 -80.92 -42.14 21.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.259 0.552 . . . . 0.0 110.218 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -115.1 16.44 17.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.794 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.7 t -122.63 136.96 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.842 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.14 128.2 92.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.3 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -44.73 113.35 0.46 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.844 3.029 . . . . 0.0 112.996 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.407 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 15.9 p90 -108.53 170.89 7.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.026 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.424 ' O ' ' HG2' ' A' ' 134' ' ' ARG . 4.1 t80 -83.07 114.98 21.67 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.831 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 133' ' ' TYR . 9.2 ptp85 . . . . . 0 N--CA 1.475 0.801 0 O-C-N 124.425 1.078 . . . . 0.0 112.054 176.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 N--CA 1.458 -0.582 0 CA-C-O 120.771 0.238 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.0 t -82.6 99.35 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 8.9 pt-20 -115.68 145.84 42.38 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 -173.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 tp -85.73 100.06 11.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 173.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -76.37 150.49 36.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.387 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.52 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.4 . . . . 0.0 111.228 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -102.71 87.3 2.94 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -112.82 163.66 14.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.271 0.557 . . . . 0.0 111.379 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 t -133.9 -179.29 5.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.346 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.32 -46.17 76.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.719 0.295 . . . . 0.0 111.544 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.41 -44.77 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.133 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.5 -48.81 78.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.312 0.577 . . . . 0.0 109.901 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.8 tp -62.8 -41.15 99.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.009 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.4 -41.59 98.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.997 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.6 m -59.84 -41.72 92.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.334 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.9 t -59.03 -45.95 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.335 175.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 14' ' ' LEU . 87.1 mt -59.61 -49.58 83.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.288 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -65.55 -31.85 73.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.969 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.44 -40.58 93.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.471 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.4 -47.46 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.199 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 p90 . . . . . 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.835 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD13 HG22 ' A' ' 58' ' ' VAL . 92.9 mt . . . . . 0 N--CA 1.461 0.076 0 CA-C-O 121.344 0.592 . . . . 0.0 110.049 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.26 -40.36 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.762 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 19.5 m -66.26 -49.46 67.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.664 0.269 . . . . 0.0 110.525 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.18 94.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.52 ' OE2' ' HD2' ' A' ' 45' ' ' ARG . 7.2 tm-20 -61.79 -48.84 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -62.81 -40.22 96.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 39' ' ' SER . 77.9 mt -62.91 -43.0 99.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.514 0.197 . . . . 0.0 111.461 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.7 tp -73.82 -37.59 64.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.003 0.43 . . . . 0.0 110.21 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.52 ' HD2' ' OE2' ' A' ' 41' ' ' GLU . 37.1 ttt180 -63.23 -36.07 82.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.353 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -81.03 -13.34 58.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.595 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.85 22.08 75.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.299 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -81.08 -30.5 34.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.793 0.33 . . . . 0.0 110.567 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.781 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 49.9 pt -118.41 167.54 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.722 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 p -93.04 178.11 5.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.956 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 67.8 t -67.74 -29.9 46.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.726 ' HG3' HG21 ' A' ' 122' ' ' THR . 34.1 ttp180 -56.3 -48.95 75.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.927 173.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.781 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 7.7 mm-40 -72.16 -26.29 62.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.074 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.1 t80 -67.33 -52.68 37.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 175.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.1 -40.29 76.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.978 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 22.1 ttt180 -47.9 -54.52 12.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.312 174.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.82 69.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.83 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 54' ' ' PHE . 90.5 t -66.75 -44.18 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.125 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.614 ' HB1' HD13 ' A' ' 112' ' ' ILE . . . -76.72 -40.12 49.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.616 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -83.28 17.12 2.18 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.783 0.325 . . . . 0.0 111.723 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.7 p -75.04 -167.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.066 0.46 . . . . 0.0 110.058 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -84.72 -7.18 59.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.353 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.7 mt 64.72 169.17 0.18 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.611 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -80.67 -35.34 33.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.946 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 N--CA 1.468 0.439 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.847 176.138 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 120.576 0.227 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.911 ' HA ' HE21 ' A' ' 74' ' ' GLN . 0.0 OUTLIER -62.35 -26.07 68.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.038 0.447 . . . . 0.0 110.348 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 p -67.03 -25.05 66.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.039 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 3.3 tpt180 -73.39 -26.93 61.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.087 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.45 -38.78 82.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.275 0.56 . . . . 0.0 109.644 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.1 mt -65.13 -40.72 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.026 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.27 -37.35 80.2 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.194 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 98.1 mt -57.91 -52.92 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -64.38 -48.51 75.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 110.341 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -55.87 25.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.805 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HG3' ' HE1' ' A' ' 133' ' ' TYR . 87.3 tttt -71.82 -37.89 70.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.17 -172.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -88.68 -21.99 23.63 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -172.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.1 mt -99.77 -35.27 9.85 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.542 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -95.99 -7.03 37.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.917 0.389 . . . . 0.0 110.716 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.96 18.17 74.22 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.58 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -154.64 141.22 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.49 156.5 90.21 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.06 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.29 129.38 34.3 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.096 2.531 . . . . 0.0 112.502 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -81.99 -46.31 14.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.949 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -128.58 168.4 15.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.802 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -83.09 -23.05 33.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -40.6 85.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 178.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.549 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 8.5 mm-40 -57.59 -49.48 76.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.409 172.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.81 -49.32 70.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.648 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.487 ' HA ' HD12 ' A' ' 100' ' ' LEU . 73.6 mt -63.12 -40.71 90.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.21 -46.38 88.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.225 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.549 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 68.2 m-70 -70.62 -32.58 69.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.722 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 97' ' ' ILE . 30.3 mt -58.84 -53.58 56.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.019 0.437 . . . . 0.0 111.01 176.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.57 -38.29 90.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.473 -177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 111' ' ' ASP . 50.9 tp -61.99 -44.28 97.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.04 175.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.58 -44.23 94.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.21 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.65 -35.75 81.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.51 -41.91 6.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -172.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -102.77 -36.12 8.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.804 0.335 . . . . 0.0 111.312 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.53 174.4 17.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.691 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -70.99 -24.2 62.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.302 . . . . 0.0 110.308 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 15.0 t70 -60.11 -40.29 89.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.85 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.68 -31.97 41.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.965 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.435 ' HA ' HD23 ' A' ' 102' ' ' LEU . 30.2 t70 -59.63 -52.27 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.315 0.579 . . . . 0.0 109.901 176.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.614 HD13 ' HB1' ' A' ' 59' ' ' ALA . 74.0 mt -68.99 -28.4 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.408 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 23.6 t70 -62.77 -25.72 68.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.957 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.2 m -56.81 -29.62 62.92 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.017 0.437 . . . . 0.0 110.933 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -78.72 -51.75 9.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.343 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.38 -33.14 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.087 0.47 . . . . 0.0 110.966 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -75.59 -5.93 47.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.72 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.1 m -114.18 80.04 5.42 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.96 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.96 -29.86 40.26 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.66 2.24 . . . . 0.0 112.579 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.3 -57.96 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.245 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -68.72 -25.9 64.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.726 HG21 ' HG3' ' A' ' 52' ' ' ARG . 84.9 m -69.0 -54.03 17.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.208 176.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 1.009 ' HA ' ' HB2' ' A' ' 127' ' ' ASP . 26.7 p30 -66.11 -21.2 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.075 -176.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.1 m -81.84 -24.59 35.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.199 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -121.1 -40.07 2.64 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -173.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.82 68.41 0.3 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.489 -0.863 . . . . 0.0 113.172 -175.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 1.009 ' HB2' ' HA ' ' A' ' 123' ' ' ASN . 36.7 t70 -103.64 -42.78 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 174.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -117.88 3.92 12.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.606 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 40.9 t -120.38 143.74 31.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.597 -177.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.6 t -81.96 126.96 73.79 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -46.55 103.4 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.222 2.615 . . . . 0.0 112.998 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -97.91 162.52 13.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.184 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.442 ' HE1' ' HG3' ' A' ' 83' ' ' LYS . 9.8 t80 -79.2 116.63 19.59 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.044 0.449 . . . . 0.0 110.699 -175.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.254 177.07 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo . . . . . 0 N--CA 1.451 -0.996 0 N-CA-C 111.385 -0.275 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -88.23 99.52 9.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -124.01 158.21 32.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.977 0.418 . . . . 0.0 111.082 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' A' ' 17' ' ' VAL . 29.5 tp -127.67 95.74 4.32 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 171.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.445 ' C ' ' H ' ' A' ' 8' ' ' ASN . 38.2 mtp180 -142.69 98.96 3.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.907 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 9' ' ' TRP . . . 68.02 -33.71 0.23 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 124.013 0.821 . . . . 0.0 112.966 177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.445 ' H ' ' C ' ' A' ' 6' ' ' ARG . 8.3 t30 -79.18 25.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.322 0.582 . . . . 0.0 110.777 -176.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.567 ' HZ2' ' HA ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -50.63 124.12 10.23 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.08 0.952 . . . . 0.0 112.738 -178.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.7 p -151.22 178.9 8.78 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -62.47 -47.28 84.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.225 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -64.77 -46.4 82.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.443 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.5 m-20 -59.76 -56.01 27.16 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.63 ' O ' HG12 ' A' ' 18' ' ' ILE . 42.0 tp -58.08 -50.55 73.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.204 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.65 -36.49 83.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.434 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.7 m -65.41 -39.8 92.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.801 0.334 . . . . 0.0 110.151 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' ' 5' ' ' LEU . 70.4 t -61.07 -46.56 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.51 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.63 HG12 ' O ' ' A' ' 14' ' ' LEU . 11.6 mm -56.7 -51.7 63.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.376 0.608 . . . . 0.0 109.764 176.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 19' ' ' ARG . 44.6 ttm105 -61.9 -34.99 77.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.072 -175.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.05 78.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.776 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 17' ' ' VAL . 48.4 t -73.23 -41.29 58.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.302 177.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 C--O 1.232 0.165 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.276 176.685 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 58' ' ' VAL . 77.6 mt . . . . . 0 N--CA 1.452 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.16 -39.5 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.8 m -62.19 -41.13 98.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.345 176.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.6 91.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.734 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.01 -45.21 91.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 110.288 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -61.72 -49.18 77.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.553 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 39' ' ' SER . 95.1 mt -62.55 -37.37 85.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.45 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.2 tp -71.81 -39.59 69.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.659 0.266 . . . . 0.0 110.524 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.567 ' HA ' ' HZ2' ' A' ' 9' ' ' TRP . 45.9 ttm105 -64.61 -35.08 79.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.189 0.518 . . . . 0.0 110.138 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -17.01 59.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.722 177.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.32 34.95 63.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.944 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -93.23 -31.46 14.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.891 0.377 . . . . 0.0 110.764 -178.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.7 pt -118.03 161.05 17.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.631 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -85.5 168.43 14.54 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.096 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.552 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 87.8 t -69.32 -31.8 51.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.45 -176.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.54 ' HG3' ' HG3' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -56.02 -36.5 68.02 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.923 0.392 . . . . 0.0 110.2 172.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.54 ' HG3' ' HG3' ' A' ' 52' ' ' ARG . 46.0 mt-10 -83.37 -27.3 29.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.71 -177.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . 87.5 t80 -64.44 -51.43 63.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 173.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.38 -32.33 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.032 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.596 ' HG3' HD13 ' A' ' 116' ' ' ILE . 40.5 ttt180 -55.8 -49.99 71.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.498 178.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.41 98.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.911 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.509 ' HA ' HD21 ' A' ' 37' ' ' LEU . 48.1 t -62.99 -39.26 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.851 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.51 -25.67 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.594 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -96.61 17.06 17.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.969 0.414 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 m -97.49 -167.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.876 173.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -105.37 -101.56 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.735 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.1 tp 65.72 -71.69 0.08 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.142 0.577 . . . . 0.0 111.425 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 51.5 m-85 -104.07 102.04 11.8 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HB2' ' O ' ' A' ' 64' ' ' TYR . 64.2 mttp . . . . . 0 N--CA 1.466 0.369 0 O-C-N 123.475 0.484 . . . . 0.0 109.895 -172.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.514 ' O ' HG13 ' A' ' 78' ' ' ILE . 52.4 tp60 -61.43 -26.16 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.593 -173.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 78' ' ' ILE . 18.8 p -53.96 -38.34 64.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -68.12 -37.18 80.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 111.011 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 76.7 t -75.64 -31.35 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.319 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 75' ' ' THR . 81.0 mt -55.9 -47.21 80.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.164 0.506 . . . . 0.0 109.892 173.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.604 ' HB3' ' NZ ' ' A' ' 83' ' ' LYS . 14.8 mt-10 -61.01 -44.36 97.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.041 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.6 -50.26 74.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.317 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -61.89 -44.68 96.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.643 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -58.49 -42.42 87.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.831 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.604 ' NZ ' ' HB3' ' A' ' 79' ' ' GLU . 61.6 mttp -71.88 -25.23 61.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -95.36 -20.12 19.39 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.839 -178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 112' ' ' ILE . 96.5 mt -100.75 -39.19 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.401 HD21 ' CE1' ' A' ' 115' ' ' TYR . 64.2 mt -122.03 -18.27 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.916 0.389 . . . . 0.0 111.161 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 77.87 14.61 82.17 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.117 -177.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 5.3 ptp180 -108.95 167.73 9.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.241 0.543 . . . . 0.0 111.035 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.73 153.67 42.87 Favored Pre-proline 0 C--N 1.317 -0.821 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 169.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.54 106.07 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.096 1.864 . . . . 0.0 111.894 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 88' ' ' ARG . 87.2 m-85 -82.47 -36.59 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.195 0.522 . . . . 0.0 109.996 -178.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -117.5 146.52 43.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.681 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 93' ' ' GLU . 1.0 OUTLIER -60.94 -27.86 68.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.403 177.124 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 m -55.67 -38.24 69.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.614 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.15 -42.07 89.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.138 0.494 . . . . 0.0 110.455 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.0 t -64.56 -52.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.406 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.44 -43.23 90.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.128 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -56.08 -46.86 78.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -72.34 -35.99 68.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.566 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.7 mt -58.89 -51.34 70.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 110.887 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -67.72 -38.79 84.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.726 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 111' ' ' ASP . 28.1 tp -57.69 -46.87 83.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.655 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.91 -50.61 68.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.89 -16.59 63.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -174.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -99.17 -57.8 2.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.07 -35.13 10.13 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.526 -175.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.2 174.81 13.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.395 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -69.94 -25.25 63.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.787 0.327 . . . . 0.0 110.53 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 13.8 t70 -60.3 -40.64 91.2 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.36 71.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.165 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.545 ' HA ' HD23 ' A' ' 102' ' ' LEU . 12.3 t70 -52.85 -46.2 67.71 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.333 0.587 . . . . 0.0 110.101 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.495 HG23 HD11 ' A' ' 85' ' ' LEU . 59.6 mt -77.45 -41.47 29.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.383 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 2.2 t70 -68.92 -21.58 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.858 -171.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.9 p -47.89 -61.75 1.8 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.627 ' HE1' ' HB3' ' A' ' 121' ' ' TYR . 24.9 t80 -65.91 -40.46 91.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 111.298 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.596 HD13 ' HG3' ' A' ' 56' ' ' ARG . 67.1 mt -56.89 -37.13 52.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.531 -174.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -90.65 -27.78 18.81 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.6 p -56.24 110.0 2.04 Favored Pre-proline 0 N--CA 1.468 0.45 0 CA-C-O 121.225 0.536 . . . . 0.0 111.269 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.65 -37.93 26.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.997 2.464 . . . . 0.0 113.029 -172.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 121' ' ' TYR . 7.4 pt-20 -60.9 -48.2 82.91 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.245 -0.182 . . . . 0.0 111.013 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.627 ' HB3' ' HE1' ' A' ' 115' ' ' TYR . 3.9 m-85 -71.3 -32.94 69.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.549 0.214 . . . . 0.0 110.742 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.8 m -56.46 -42.62 78.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.116 0.484 . . . . 0.0 110.733 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -81.8 -28.58 33.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.396 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 43.1 m -79.22 -51.26 9.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.369 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -79.44 -38.8 33.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.929 0.395 . . . . 0.0 110.089 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 114.65 109.0 2.76 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.268 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.552 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 9.9 t70 -54.05 -50.59 66.4 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.49 0.662 . . . . 0.0 110.264 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.479 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 62.5 m95 -87.49 27.74 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.196 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.37 136.62 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.1 t -86.08 124.84 69.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.807 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.71 144.33 65.33 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.762 2.308 . . . . 0.0 112.594 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.512 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 20.4 p90 -127.66 145.36 50.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.892 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.441 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 48.5 p90 -78.95 148.93 32.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.747 0.308 . . . . 0.0 111.203 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 . . . . . 0 C--O 1.235 0.317 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.443 -178.67 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.401 ' HB3' ' CD2' ' A' ' 132' ' ' TYR . 2.6 Cg_exo . . . . . 0 N--CA 1.461 -0.431 0 CA-C-O 120.764 0.235 . . . . 0.0 111.711 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.8 t -93.91 127.02 46.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -139.03 153.04 48.05 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.8 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -98.21 120.31 38.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -80.19 154.46 27.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.54 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.21 135.53 39.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 58.9 80.54 0.18 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -169.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -98.29 178.89 4.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.935 -170.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -132.66 167.0 20.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.717 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 17.9 tp10 -53.75 -45.82 70.69 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.172 0.295 . . . . 0.0 111.343 -175.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.36 -48.75 76.19 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.249 0.547 . . . . 0.0 111.203 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.6 t70 -60.93 -49.33 77.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.306 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.552 ' O ' HG13 ' A' ' 18' ' ' ILE . 57.1 tp -67.78 -42.46 81.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.443 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -53.77 -44.83 70.37 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.212 0.53 . . . . 0.0 110.184 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -61.31 -42.46 98.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.676 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 21' ' ' VAL . 91.8 t -61.77 -46.28 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.0 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 14' ' ' LEU . 63.7 mt -59.13 -49.7 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.046 -178.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 79.3 mtp180 -63.12 -28.5 70.11 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.276 -177.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.29 -49.13 37.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 17' ' ' VAL . 48.0 t -61.48 -48.03 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.0 p90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-O 121.091 0.472 . . . . 0.0 111.335 178.721 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.55 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 95.7 mt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.87 -37.61 72.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.211 0.529 . . . . 0.0 109.974 175.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.668 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.0 m -58.76 -49.9 75.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.263 177.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . . . -63.96 -40.63 96.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -52.99 -51.97 59.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.231 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -65.31 -40.02 93.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.022 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.4 mt -61.23 -44.03 97.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.997 0.427 . . . . 0.0 110.689 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.5 tp -67.49 -42.71 82.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.693 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 45' ' ' ARG . 55.6 mtt-85 -68.06 -28.58 67.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.798 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -82.41 -11.9 58.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.256 0.551 . . . . 0.0 110.047 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.31 34.24 33.21 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.016 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -88.76 -43.58 11.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.679 0.276 . . . . 0.0 111.019 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 36.2 pt -116.74 156.32 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.131 -176.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.4 p -85.34 173.73 10.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.238 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 55' ' ' VAL . 75.2 t -64.79 -36.14 76.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.835 ' HD3' HG21 ' A' ' 122' ' ' THR . 12.2 ttp180 -53.86 -50.72 65.62 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.593 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.442 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 32.9 mt-10 -67.83 -41.88 82.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.75 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 58' ' ' VAL . 82.7 t80 -58.31 -46.5 86.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' HG2' ' A' ' 131' ' ' PRO . 93.3 t -66.57 -33.53 64.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.221 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 54.7 ttt180 -62.73 -39.04 92.85 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.225 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.23 77.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.683 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 54' ' ' PHE . 48.9 t -71.56 -39.01 69.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.473 177.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB2' HD21 ' A' ' 85' ' ' LEU . . . -62.73 -30.24 71.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.419 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 17.9 ptpt -105.79 15.84 26.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.348 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.2 p -76.76 -30.73 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 0.0 110.963 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' HG3' ' HD2' ' A' ' 64' ' ' TYR . 33.2 tt0 -84.66 99.41 10.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.298 0.57 . . . . 0.0 109.978 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 1.3 pp -92.29 16.16 12.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.835 -176.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.456 ' HD2' ' HG3' ' A' ' 62' ' ' GLU . 62.8 m-85 -91.58 76.85 5.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.863 0.363 . . . . 0.0 110.11 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 mttp . . . . . 0 N--CA 1.464 0.252 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.248 -174.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 . . . . . 0 N--CA 1.466 0.347 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -78.0 -26.55 48.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.417 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 m -61.05 -33.42 73.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.886 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 33.6 ttt85 -71.53 -29.41 64.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.143 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.72 -37.29 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.845 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.53 -41.69 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.93 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.3 -40.07 85.02 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.401 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.2 mt -59.82 -54.15 49.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -65.24 -42.24 93.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.627 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 2.8 m-85 -59.36 -49.77 76.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -74.99 -15.21 60.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.48 -174.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -90.86 -43.76 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.685 0.279 . . . . 0.0 111.449 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.515 HD11 HG23 ' A' ' 112' ' ' ILE . 86.8 mt -96.99 -30.07 13.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -171.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD22 ' HE1' ' A' ' 121' ' ' TYR . 72.7 mt -113.69 -17.0 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.766 0.317 . . . . 0.0 110.703 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.17 20.0 74.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.276 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.627 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 7.7 tpt180 -126.37 142.66 51.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -81.13 159.13 68.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.406 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 8.7 Cg_endo -50.57 107.21 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.702 2.268 . . . . 0.0 111.887 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.92 -50.05 52.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.122 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -122.5 159.35 27.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.841 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.38 -22.02 63.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.603 0.24 . . . . 0.0 110.669 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.5 t -61.67 -37.72 85.12 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.14 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -59.99 -40.25 88.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.306 0.574 . . . . 0.0 110.066 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.98 -57.08 13.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.443 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.35 -44.41 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.164 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -58.68 -44.13 90.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.345 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -79.51 -30.61 41.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.47 -44.61 95.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 109.68 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.12 -50.5 73.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.612 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.58 -47.09 83.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.265 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.91 -47.98 83.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.578 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -70.36 -33.53 71.55 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -175.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -82.22 -57.95 3.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.589 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -95.04 -37.24 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -170.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.29 176.91 14.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.194 -1.003 . . . . 0.0 113.319 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -71.29 -39.05 71.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.712 -0.244 . . . . 0.0 111.306 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.29 -29.88 68.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 113' ' ' ASP . . . -74.22 -29.84 61.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.82 -56.11 17.89 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.515 HG23 HD11 ' A' ' 85' ' ' LEU . 75.4 mt -54.59 -34.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.508 176.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' A' ' 110' ' ' ALA . 26.5 t70 -57.81 -39.92 78.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.9 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.2 p -61.97 -24.63 67.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -86.17 -33.94 20.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.155 0.502 . . . . 0.0 110.42 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.522 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 49.5 mm -93.36 -36.29 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.06 -172.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 26.5 t70 -76.06 -19.07 58.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.745 -173.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 p -79.32 103.94 1.91 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-O 121.022 0.439 . . . . 0.0 111.143 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 38.4 Cg_endo -67.74 -40.39 9.92 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.455 2.104 . . . . 0.0 111.988 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.33 -39.13 93.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.209 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.444 ' HE1' HD22 ' A' ' 86' ' ' LEU . 6.6 t80 -75.94 -38.66 57.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.431 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.835 HG21 ' HD3' ' A' ' 52' ' ' ARG . 30.6 m -72.9 -45.78 56.33 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.198 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.23 -36.5 82.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.609 0.242 . . . . 0.0 111.285 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.7 p -71.53 -18.67 62.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.628 0.251 . . . . 0.0 111.176 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 73.0 t80 -94.26 -39.37 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.39 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.75 106.61 1.14 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.676 -0.569 . . . . 0.0 111.676 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.77 -32.89 74.68 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.899 0.38 . . . . 0.0 111.34 -176.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.27 18.15 22.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.017 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.3 t -108.78 138.71 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.016 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 79.9 t -76.03 127.63 84.81 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.271 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.557 ' HG2' HG11 ' A' ' 55' ' ' VAL . 52.9 Cg_exo -53.8 107.17 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.019 2.479 . . . . 0.0 112.521 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.401 ' CD2' ' HB3' ' A' ' 2' ' ' PRO . 32.1 p90 -105.34 158.52 16.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.172 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -64.36 139.28 58.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.196 0.522 . . . . 0.0 110.53 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.187 -173.282 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo . . . . . 0 N--CA 1.464 -0.215 0 N-CA-C 111.48 -0.238 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 45.3 t -79.24 105.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -99.44 116.9 32.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.601 -176.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.513 HD13 HG21 ' A' ' 17' ' ' VAL . 50.6 tp -86.83 100.21 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.453 ' HG2' ' H ' ' A' ' 8' ' ' ASN . 57.7 ttp180 -76.92 139.0 40.06 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.25 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.16 -33.12 57.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.221 0.534 . . . . 0.0 110.988 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.453 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 27.2 t-20 -86.86 92.09 8.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 168.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -126.89 162.27 26.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.366 0.603 . . . . 0.0 111.511 -174.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.2 t -113.65 167.49 10.57 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.8 -20.18 65.58 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.048 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.88 -45.01 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.194 0.521 . . . . 0.0 109.807 172.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.438 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.9 m-20 -68.48 -42.22 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.738 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.29 -49.15 78.73 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.362 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.68 -38.54 85.29 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.884 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.1 m -60.1 -42.58 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.984 0.421 . . . . 0.0 110.677 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.513 HG21 HD13 ' A' ' 5' ' ' LEU . 77.2 t -64.13 -56.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.171 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.6 pt -65.3 -38.52 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -71.79 -24.68 61.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.79 -32.58 59.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.005 0.431 . . . . 0.0 110.377 176.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 17' ' ' VAL . 57.8 t -79.14 -56.11 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.595 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 C--O 1.234 0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.434 178.793 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.512 HD13 HG22 ' A' ' 58' ' ' VAL . 89.4 mt . . . . . 0 CA--C 1.522 -0.117 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 87.4 t -67.85 -28.32 41.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.244 0.545 . . . . 0.0 109.963 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 p -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.286 172.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.7 -50.69 70.14 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.163 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 38' ' ' VAL . 10.2 pt-20 -64.08 -30.68 71.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.225 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m -68.84 -42.49 77.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.222 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.17 -39.9 95.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.23 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.13 -41.79 98.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.274 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.8 ttm-85 -63.28 -30.57 71.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.004 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -85.29 -11.86 53.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.53 21.63 71.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.472 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -79.95 -38.2 32.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.63 153.99 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.14 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.7 p -84.4 165.35 18.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.708 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.458 ' HB ' ' HA ' ' A' ' 128' ' ' TRP . 57.9 t -60.93 -29.68 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.918 0.39 . . . . 0.0 110.181 177.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.602 ' HG2' HG23 ' A' ' 116' ' ' ILE . 17.1 ttp180 -53.63 -47.86 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.51 176.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.12 -42.95 88.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.369 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 58' ' ' VAL . 88.7 t80 -60.61 -51.75 68.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.402 -177.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.0 t -58.7 -42.66 85.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.886 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' HB2' HG21 ' A' ' 116' ' ' ILE . 42.1 ttp180 -59.97 -49.19 78.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.81 86.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.503 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.512 HG22 HD13 ' A' ' 37' ' ' LEU . 60.8 t -67.61 -42.99 87.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.911 0.386 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.35 96.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.76 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 20.0 ptmt -93.91 16.13 15.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.795 0.331 . . . . 0.0 111.258 -177.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.5 t -85.83 168.56 14.15 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 120.855 0.359 . . . . 0.0 110.34 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.87 79.36 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.533 . . . . 0.0 111.613 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.87 -47.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.237 0.542 . . . . 0.0 110.449 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -67.13 -19.24 65.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.972 -176.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 tptt . . . . . 0 C--N 1.327 -0.396 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.63 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 121.474 0.654 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -66.16 -25.44 66.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.626 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 p -57.27 -39.81 76.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.874 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 40.4 ttm180 -56.73 -47.37 80.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.844 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.19 -46.69 95.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.567 HD12 HD23 ' A' ' 100' ' ' LEU . 50.1 mt -65.15 -39.29 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 31.5 mt-10 -64.66 -25.01 67.77 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.012 177.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 90.7 mt -79.92 -41.99 25.0 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 120.705 0.288 . . . . 0.0 110.614 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -56.1 -50.7 70.31 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.484 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 10.2 m-30 -73.42 -19.79 60.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.824 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.877 ' HD3' ' HB2' ' A' ' 88' ' ' ARG . 22.7 tptp -58.96 -32.58 69.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 171.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -89.08 -25.83 21.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.198 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 131' ' ' PRO . 95.0 mt -101.24 -53.47 3.01 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -171.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.5 mt -114.04 9.29 17.29 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.413 ' HA3' ' H ' ' A' ' 134' ' ' ARG . . . 81.87 41.12 9.88 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.21 -0.995 . . . . 0.0 111.774 -177.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.877 ' HB2' ' HD3' ' A' ' 83' ' ' LYS . 16.2 ttt180 79.53 -82.73 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.142 1.377 . . . . 0.0 112.385 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.414 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . . . -81.71 126.65 75.15 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.961 -165.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -61.63 177.79 0.84 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 123.125 2.55 . . . . 0.0 111.857 174.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -97.61 -51.05 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.218 -174.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 96' ' ' VAL . 29.7 t70 -117.89 149.01 41.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.798 0.332 . . . . 0.0 111.011 -173.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.555 ' O ' HG12 ' A' ' 97' ' ' ILE . 30.6 tt0 -69.77 -41.51 75.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.426 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.6 t -66.1 -36.17 82.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.541 ' HB3' ' O ' ' A' ' 92' ' ' ASP . 1.5 tm-20 -56.36 -49.42 74.48 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.078 172.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.691 ' HA ' ' CE1' ' A' ' 99' ' ' HIS . 54.3 t -52.65 -51.85 31.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 176.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 93' ' ' GLU . 33.0 mm -57.14 -39.49 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.874 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -55.59 -52.76 62.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.218 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.691 ' CE1' ' HA ' ' A' ' 96' ' ' VAL . 8.0 p80 -82.43 -16.42 49.03 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.708 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 78' ' ' ILE . 19.2 mt -58.36 -48.98 78.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.927 0.394 . . . . 0.0 110.025 170.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.98 -46.24 85.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.062 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.521 ' HB3' ' HA ' ' A' ' 99' ' ' HIS . 59.0 tp -55.34 -47.07 76.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.358 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.402 ' HD1' ' HA ' ' A' ' 108' ' ' PHE . 10.6 t80 -60.53 -48.71 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.866 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.64 -37.98 59.23 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.972 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -83.47 -53.5 5.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -176.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -90.72 -36.41 14.33 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.401 -174.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.63 166.26 11.45 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.168 -1.015 . . . . 0.0 113.092 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.402 ' HA ' ' HD1' ' A' ' 103' ' ' TYR . 0.8 OUTLIER -61.74 -33.0 73.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 111.314 178.449 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -67.1 -36.18 81.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.398 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.46 76.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.704 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.492 ' OD1' ' HB2' ' A' ' 99' ' ' HIS . 14.9 t70 -58.73 -42.65 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.36 0.6 . . . . 0.0 110.095 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 85' ' ' LEU . 85.0 mt -71.83 -35.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.333 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.446 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 97.8 m-20 -68.53 -26.73 65.57 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.0 p -56.48 -59.12 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.714 0.292 . . . . 0.0 111.651 -174.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -61.94 -37.12 83.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.602 HG23 ' HG2' ' A' ' 52' ' ' ARG . 44.0 mm -73.89 -47.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.834 -174.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.65 -24.45 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.795 0.331 . . . . 0.0 111.141 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 m -79.71 115.32 52.81 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.498 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.78 -55.95 2.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.309 2.673 . . . . 0.0 113.484 -172.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.61 -32.0 73.46 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -65.1 -44.79 87.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.013 0.435 . . . . 0.0 110.244 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.495 HG21 ' HG3' ' A' ' 52' ' ' ARG . 87.1 m -70.07 -36.4 74.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.308 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.15 -34.31 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.865 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.3 p -70.95 -10.52 59.84 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -113.39 -38.72 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.797 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.99 128.82 3.0 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.93 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.77 -24.97 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.311 0.577 . . . . 0.0 110.812 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.458 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 80.8 m95 -122.25 19.14 10.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.15 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.53 132.42 61.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.796 -174.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 96.1 t -73.83 127.87 87.65 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.225 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.543 ' HB3' ' O ' ' A' ' 85' ' ' LEU . 93.0 Cg_exo -47.43 140.63 15.51 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.846 3.031 . . . . 0.0 113.894 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -110.2 174.6 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.918 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.475 ' HE2' ' HE2' ' A' ' 83' ' ' LYS . 5.0 t80 -83.95 141.03 31.54 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.413 ' H ' ' HA3' ' A' ' 87' ' ' GLY . 8.3 tpm_? . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 121.589 0.709 . . . . 0.0 111.055 -177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo . . . . . 0 N--CA 1.457 -0.651 0 CA-C-O 120.624 0.177 . . . . 0.0 111.834 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -82.65 112.13 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.479 ' HB3' HG22 ' A' ' 129' ' ' VAL . 10.9 pt-20 -139.61 153.34 47.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.751 -178.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.538 ' HB2' HG11 ' A' ' 17' ' ' VAL . 62.2 tp -87.03 143.62 27.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.154 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -99.74 151.92 20.69 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.96 -39.17 87.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.87 81.2 4.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.628 170.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -99.21 155.79 17.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.423 0.63 . . . . 0.0 111.489 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.519 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 m -107.99 168.92 8.94 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.102 174.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.29 -55.72 31.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.788 0.327 . . . . 0.0 110.785 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.87 -37.63 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.499 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.519 ' HB3' ' H ' ' A' ' 10' ' ' SER . 32.8 t70 -62.03 -48.65 79.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.7 tp -59.24 -42.73 91.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.361 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.61 -37.18 82.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.274 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -62.87 -40.77 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.34 . . . . 0.0 110.621 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.538 HG11 ' HB2' ' A' ' 5' ' ' LEU . 59.0 t -67.5 -47.51 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.45 -44.92 93.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.682 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -61.4 -33.88 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.4 87.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.378 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.63 -56.01 11.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.132 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.464 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.158 0.504 . . . . 0.0 111.103 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.778 0.323 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.404 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 10.5 p -57.6 -31.95 40.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.244 0.545 . . . . 0.0 110.611 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.528 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 17.8 m -63.31 -38.07 89.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.589 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.56 56.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -67.42 -28.66 68.09 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.623 -178.554 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -70.09 -43.61 70.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.486 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 39' ' ' SER . 92.7 mt -62.81 -40.26 96.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.802 0.334 . . . . 0.0 110.567 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.59 -37.32 79.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -65.22 -26.63 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.018 -178.456 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -98.98 3.75 47.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.74 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.27 21.8 72.36 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.986 -0.552 . . . . 0.0 113.187 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -79.41 -39.69 31.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.983 0.392 . . . . 0.0 110.293 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 49.6 pt -108.69 149.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.285 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.3 p -86.67 172.09 10.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.477 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.85 -35.85 67.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.472 ' HG3' HG23 ' A' ' 116' ' ' ILE . 2.9 ttp180 -48.55 -49.96 34.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.807 172.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 24.6 mt-10 -80.99 -33.55 33.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.205 -175.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 75.4 t80 -62.58 -53.22 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.526 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.22 -40.23 85.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.995 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 38.1 ttt180 -55.58 -56.62 18.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.222 179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.97 27.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.575 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.2 -42.77 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.15 -29.17 61.67 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -173.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . 19.0 ptmt -107.37 7.34 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.166 -0.614 . . . . 0.0 112.11 -173.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 p -98.66 -92.18 0.26 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -103.01 26.22 8.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.386 -164.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.2 mt -78.32 96.78 5.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.095 0.474 . . . . 0.0 110.095 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -74.9 155.75 37.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.355 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.1 pttp . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.28 -178.724 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 121.03 0.443 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -62.66 -33.94 76.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.189 -175.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 p -56.23 -51.47 68.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 10.9 mmm180 -53.84 -44.29 70.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.187 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.09 -45.14 99.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.642 HG21 ' HB3' ' A' ' 99' ' ' HIS . 84.4 mt -64.71 -53.99 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.987 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -31.45 70.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.46 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 33.0 mt -59.43 -48.45 81.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.177 0.513 . . . . 0.0 110.5 174.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.83 -48.78 77.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.34 -39.57 87.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.502 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.08 -35.39 78.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.897 0.38 . . . . 0.0 110.763 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -84.39 -18.52 35.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.435 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.8 mt -100.87 -27.4 13.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.0 mt -100.81 -22.9 14.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.523 0.201 . . . . 0.0 111.333 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 67.94 27.07 73.75 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -173.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -154.08 -168.07 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.82 -174.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.17 158.07 75.26 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.16 140.95 60.1 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.762 2.308 . . . . 0.0 112.038 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -89.28 -37.52 14.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.438 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.621 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 30.9 t70 -125.67 158.57 34.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.162 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.61 -28.09 41.0 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.451 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.2 m -68.83 -24.73 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.575 0.226 . . . . 0.0 111.334 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 13.8 pt-20 -73.5 -27.48 61.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.81 -45.62 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.239 0.542 . . . . 0.0 109.696 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.33 -38.19 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.807 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.22 -40.07 96.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.714 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.642 ' HB3' HG21 ' A' ' 78' ' ' ILE . 60.3 m170 -57.92 -50.49 73.17 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.18 0.514 . . . . 0.0 109.93 176.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.3 mt -55.72 -46.3 77.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.699 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.25 -44.58 75.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.871 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 111' ' ' ASP . 56.9 tp -59.32 -42.21 90.89 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.485 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -57.0 -43.95 82.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.08 176.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.61 -33.34 64.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.558 -177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -79.1 -58.79 3.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 111.362 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -100.11 -36.55 9.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.937 -170.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 135.33 175.39 13.82 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.042 -1.075 . . . . 0.0 113.337 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -69.37 -42.13 75.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 110.623 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.598 ' HB2' ' HB2' ' A' ' 60' ' ' LYS . 4.1 p30 -69.45 -24.34 63.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.902 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.33 59.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.04 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.497 ' HA ' HD23 ' A' ' 102' ' ' LEU . 21.3 t70 -64.35 -51.57 62.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.837 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.0 mt -54.45 -31.74 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.166 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 14.1 t70 -72.63 -20.66 61.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.006 -173.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.4 p -52.48 -42.61 64.4 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -171.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.35 -43.28 96.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 111.471 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.472 HG23 ' HG3' ' A' ' 52' ' ' ARG . 50.9 mt -89.33 -11.63 10.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.709 0.766 . . . . 0.0 110.052 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.46 -30.59 59.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.222 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.2 m -90.81 105.81 13.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.391 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.68 -45.86 27.02 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.863 2.375 . . . . 0.0 112.927 -174.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.34 -41.8 90.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.37 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.89 -53.75 51.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.099 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 29.2 m -62.59 -47.7 82.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 110.982 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -63.9 -47.7 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.273 -175.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.4 m -77.66 -18.92 56.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -172.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -92.22 -39.28 11.63 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.152 177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.26 100.89 0.23 Allowed Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.889 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.83 -31.44 70.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.096 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -99.68 3.26 45.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.479 HG22 ' HB3' ' A' ' 4' ' ' GLU . 49.4 t -101.43 139.71 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.033 0.445 . . . . 0.0 111.812 -171.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.77 127.92 58.3 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.365 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.15 128.99 24.02 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.676 2.917 . . . . 0.0 114.013 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.503 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 18.4 p90 -130.28 166.91 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.045 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.73 124.94 26.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.382 0.61 . . . . 0.0 110.85 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.836 -178.096 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo . . . . . 0 N--CA 1.462 -0.37 0 N-CA-C 109.191 -1.119 . . . . 0.0 109.191 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.9 t -72.14 97.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.926 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.9 151.23 51.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.058 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.596 HD13 HG21 ' A' ' 17' ' ' VAL . 34.6 tp -106.14 116.81 32.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.383 . . . . 0.0 110.144 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -80.82 160.17 24.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.096 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.28 -54.9 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.755 0.312 . . . . 0.0 111.007 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -96.28 88.39 4.77 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 44.6 p-90 -98.36 159.08 15.18 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.291 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -103.46 176.12 5.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 44.8 mm-40 -59.64 -38.84 82.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.649 0.261 . . . . 0.0 110.651 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.46 -38.4 77.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.914 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 9' ' ' TRP . 5.8 m-20 -64.31 -54.01 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.846 176.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.5 ' O ' HG12 ' A' ' 18' ' ' ILE . 52.5 tp -56.3 -46.81 79.63 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.856 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 53.6 mm-40 -52.99 -57.2 11.14 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.36 177.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.6 m -57.56 -40.02 78.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.722 -176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.596 HG21 HD13 ' A' ' 5' ' ' LEU . 50.2 t -59.93 -62.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-O 120.91 0.386 . . . . 0.0 111.35 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 14' ' ' LEU . 16.6 pt -69.23 -27.39 34.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.317 -175.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 42.4 ttt85 -72.22 -31.12 65.56 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.315 0.384 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.18 -37.18 78.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.92 176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.28 -61.43 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.293 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.512 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -176.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 61' ' ' SER . 97.6 mt . . . . . 0 N--CA 1.467 0.383 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.8 p -65.87 -26.71 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 109.687 176.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.2 t -69.06 -40.26 78.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.09 175.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.57 86.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.904 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.23 -48.78 80.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.91 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 p -66.98 -40.73 87.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.577 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.87 -35.0 79.2 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.139 -0.224 . . . . 0.0 110.917 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.0 tp -71.02 -38.32 72.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.126 0.488 . . . . 0.0 109.921 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' O ' ' HZ2' ' A' ' 9' ' ' TRP . 41.5 ttp180 -61.94 -46.64 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.647 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.89 -29.37 68.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.13 0.49 . . . . 0.0 110.703 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.59 24.23 28.84 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.008 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -83.23 -28.6 29.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.088 0.47 . . . . 0.0 109.964 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.556 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 48.0 pt -121.73 153.47 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.609 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 59.6 p -92.93 -179.18 5.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.542 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 130' ' ' VAL . 61.5 t -65.14 -33.92 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.044 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HD2' HG21 ' A' ' 122' ' ' THR . 27.7 ttt180 -55.12 -48.23 73.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.353 174.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.556 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 6.2 mm-40 -72.0 -37.71 69.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.746 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.512 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 82.8 t80 -57.75 -54.32 48.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.272 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.78 -38.58 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.938 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.553 ' HD3' HG21 ' A' ' 116' ' ' ILE . 30.8 ttp85 -57.63 -46.19 84.47 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.76 -43.33 69.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.085 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.459 HG22 HD13 ' A' ' 37' ' ' LEU . 69.2 t -62.94 -50.63 78.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.99 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.55 -34.94 70.43 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 37.0 ttmt -90.55 12.45 18.7 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.887 0.375 . . . . 0.0 111.595 -177.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.552 ' HB3' HD21 ' A' ' 37' ' ' LEU . 81.2 p -74.48 -13.4 60.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.001 -0.437 . . . . 0.0 111.136 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 57.52 79.27 0.2 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.5 -176.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.77 156.21 20.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.377 173.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -52.9 131.99 36.51 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.127 -172.812 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -83.13 -26.09 31.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.682 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.42 HG22 HD11 ' A' ' 100' ' ' LEU . 22.0 p -60.16 -41.48 92.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.068 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -72.35 -22.83 61.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.731 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.31 -49.14 78.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.533 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 73.5 mt -61.91 -40.58 87.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.805 175.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.01 -39.2 81.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.02 -54.95 40.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.045 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -67.24 -42.91 83.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.361 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.533 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.2 t80 -56.31 -48.99 75.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.825 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.525 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 77.8 tttt -69.04 -32.39 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.21 -175.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -82.75 -36.37 25.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.078 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 97.7 mt -83.46 -53.91 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -176.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.7 mt -82.81 -11.16 58.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.163 -0.336 . . . . 0.0 111.155 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.718 ' CA ' ' HA ' ' A' ' 133' ' ' TYR . . . 70.59 15.12 72.97 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.254 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 44.4 mtm105 -127.86 138.53 52.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.581 -0.309 . . . . 0.0 110.331 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.525 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . . . -80.81 129.13 69.25 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 4.0 Cg_exo -40.86 108.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.554 2.836 . . . . 0.0 112.496 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -84.91 -34.03 22.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.064 -173.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -117.71 141.12 48.76 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.247 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -64.29 -23.4 67.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.587 0.232 . . . . 0.0 110.687 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 m -60.88 -35.3 76.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.529 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.28 -43.74 98.38 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.342 0.592 . . . . 0.0 109.744 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.7 t -70.46 -51.14 40.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.789 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 70.4 mt -59.74 -39.44 79.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.178 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.02 -51.26 68.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.616 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.459 ' HD1' ' CG ' ' A' ' 111' ' ' ASP . 36.9 m-70 -69.64 -37.65 76.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.311 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 75' ' ' THR . 82.7 mt -56.09 -49.19 74.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.977 0.418 . . . . 0.0 110.551 175.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.67 -48.32 81.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.293 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 111' ' ' ASP . 58.9 tp -62.86 -42.39 99.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.112 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -58.07 -41.65 83.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.01 0.433 . . . . 0.0 110.747 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.93 -33.85 72.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.16 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -76.6 -58.5 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.817 -176.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -105.9 -37.06 6.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.88 -171.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.46 -173.44 15.99 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.309 -0.948 . . . . 0.0 113.028 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.5 -45.58 86.66 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.718 0.407 . . . . 0.0 111.968 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -64.41 -32.34 73.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 111.161 -173.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.46 -33.08 42.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.231 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.515 ' HA ' HD23 ' A' ' 102' ' ' LEU . 18.6 t70 -63.59 -47.58 80.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.283 0.563 . . . . 0.0 109.575 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' A' ' 115' ' ' TYR . 32.1 mm -57.57 -37.84 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.635 173.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.82 -40.63 97.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.384 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.7 p -63.39 -29.63 70.89 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 110.931 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 24.5 t80 -62.88 -34.62 77.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.769 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.553 HG21 ' HD3' ' A' ' 56' ' ' ARG . 40.0 mm -92.79 -24.07 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.286 0.565 . . . . 0.0 110.574 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.44 -19.43 59.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.761 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.541 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 5.1 p -78.8 111.01 16.33 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 121.175 0.512 . . . . 0.0 110.915 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.19 -52.34 2.13 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.038 2.492 . . . . 0.0 113.541 -172.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.62 -34.71 78.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.781 -175.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 118' ' ' SER . 81.9 m-85 -68.0 -34.24 76.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.939 177.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.439 HG21 ' HD2' ' A' ' 52' ' ' ARG . 66.0 m -65.63 -44.19 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.098 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.58 -25.17 64.37 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.336 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 m -62.84 -19.31 63.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.387 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.402 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 99.0 m-85 -121.67 -40.31 2.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 103.3 -167.63 17.0 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.676 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.609 ' O ' ' HB ' ' A' ' 50' ' ' THR . 1.6 m-20 -103.38 -11.28 17.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -121.26 10.29 10.59 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.791 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 125' ' ' PHE . 94.0 t -114.22 135.22 54.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.52 ' O ' ' HD1' ' A' ' 132' ' ' TYR . 68.6 t -83.59 128.2 64.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.426 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.95 117.24 3.19 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.045 2.496 . . . . 0.0 111.851 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.52 ' HD1' ' O ' ' A' ' 130' ' ' VAL . 40.9 p90 -130.51 158.4 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.432 -174.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.718 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 40.9 p90 -69.31 148.4 49.78 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 . . . . . 0 N--CA 1.467 0.383 0 O-C-N 123.782 0.676 . . . . 0.0 111.792 -174.586 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 N--CA 1.456 -0.718 0 N-CA-C 111.63 -0.181 . . . . 0.0 111.63 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.34 106.61 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.752 ' HB3' HG22 ' A' ' 129' ' ' VAL . 1.2 pm0 -111.15 155.25 23.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.291 0.567 . . . . 0.0 111.307 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.1 tp -91.54 127.83 37.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -85.36 153.15 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.024 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.36 92.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.632 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -97.79 85.17 3.49 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 172.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -104.36 164.82 11.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.312 -176.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.483 ' HB3' ' OD1' ' A' ' 13' ' ' ASP . 23.2 t -125.82 177.22 6.42 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.09 -41.14 91.05 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -173.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 8.8 pt-20 -72.58 -37.31 68.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -173.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' A' ' 10' ' ' SER . 0.9 OUTLIER -74.39 -34.08 63.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.456 176.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.71 -44.41 96.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.233 0.54 . . . . 0.0 109.604 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.98 -38.92 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.104 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -66.2 -42.44 88.82 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 21' ' ' VAL . 96.2 t -59.81 -52.36 61.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.41 177.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.9 -43.42 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.793 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 19' ' ' ARG . 37.2 ttm105 -62.12 -39.34 92.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.309 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.84 -29.49 69.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.248 -178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 17' ' ' VAL . 54.7 t -80.12 -35.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.344 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--N 1.33 -0.25 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -175.612 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 120.98 0.419 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.667 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 11.0 p -61.44 -27.49 42.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.136 -175.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.671 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.3 t -66.14 -45.58 80.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.952 0.406 . . . . 0.0 109.984 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.88 64.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.543 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.667 ' HG2' ' HA ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -62.49 -40.45 96.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.24 -177.281 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.523 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 19.1 p -69.65 -35.71 75.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 39' ' ' SER . 91.6 mt -61.88 -50.62 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 175.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.81 -37.08 83.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.044 0.449 . . . . 0.0 110.351 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.744 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.39 -0.75 57.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 111.362 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.3 26.08 60.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.562 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.17 -41.38 70.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 109.942 176.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.763 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 37.6 pt -125.0 171.0 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.378 -177.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.455 HG22 ' CZ2' ' A' ' 128' ' ' TRP . 68.4 p -104.37 -175.7 2.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.383 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' CE3' ' A' ' 128' ' ' TRP . 79.8 t -63.51 -33.14 59.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.595 0.235 . . . . 0.0 110.529 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 56' ' ' ARG . 74.1 mtt180 -51.49 -56.06 15.42 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.97 174.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.763 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 4.7 mm-40 -67.38 -30.17 69.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.251 -175.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.575 ' O ' HG23 ' A' ' 58' ' ' VAL . 52.5 t80 -65.6 -54.79 22.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.009 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.32 -34.08 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.107 0.48 . . . . 0.0 109.899 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.514 ' HG3' HG13 ' A' ' 116' ' ' ILE . 66.0 ttt180 -54.6 -47.63 73.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.624 177.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.62 74.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.448 -178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 54' ' ' PHE . 21.4 t -67.91 -18.66 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.146 0.498 . . . . 0.0 111.565 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.74 -48.88 8.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' A' ' 112' ' ' ILE . 18.2 ptmt -90.11 -20.83 22.68 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.929 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m 56.47 -171.15 0.08 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -94.57 169.6 10.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.148 174.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.2 tp 72.55 -13.87 0.61 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.75 0.42 . . . . 0.0 112.074 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 71.83 -62.59 0.45 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.461 0.704 . . . . 0.0 111.018 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 63.2 mttp . . . . . 0 C--N 1.32 -0.677 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.229 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.497 ' O ' HG12 ' A' ' 78' ' ' ILE . 57.5 tp60 -62.85 -33.91 76.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.921 -173.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -38.57 89.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.899 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.48 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 30.8 mtp180 -70.52 -33.48 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.947 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.504 ' HA ' HD12 ' A' ' 80' ' ' LEU . 59.1 t -62.61 -33.04 57.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.373 0.606 . . . . 0.0 109.739 176.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.577 HD12 ' CD2' ' A' ' 99' ' ' HIS . 34.6 mm -63.09 -50.67 78.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.664 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.96 -38.79 83.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.128 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 77' ' ' VAL . 95.3 mt -55.82 -48.17 75.89 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.979 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -65.84 -39.31 90.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.697 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.512 ' HD2' ' HD2' ' A' ' 88' ' ' ARG . 22.3 m-85 -63.27 -39.08 93.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.777 0.323 . . . . 0.0 111.373 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -80.45 -15.25 57.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.585 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -87.19 -41.11 13.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.827 178.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.544 HD11 HG23 ' A' ' 112' ' ' ILE . 18.7 mt -93.72 -53.94 3.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -173.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.9 mt -99.64 -1.87 36.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.702 0.287 . . . . 0.0 111.043 -172.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.544 ' HA3' ' HA ' ' A' ' 133' ' ' TYR . . . 58.56 33.7 73.03 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -174.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.512 ' HD2' ' HD2' ' A' ' 82' ' ' TYR . 18.3 mtt180 -87.68 149.48 24.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 112.094 -173.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.449 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . . . -110.61 114.66 54.63 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 161.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 6.0 Cg_exo -36.9 111.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.167 3.245 . . . . 0.0 113.422 -170.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -78.23 -47.64 17.54 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.451 -173.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 38.5 t70 -144.86 160.35 41.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.145 177.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.34 -21.28 65.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.666 -177.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.9 p -58.65 -42.39 88.26 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.652 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 8.9 pt-20 -64.88 -39.77 94.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.073 0.463 . . . . 0.0 109.848 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.422 HG13 HG21 ' A' ' 78' ' ' ILE . 74.8 t -62.67 -47.32 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.367 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.481 ' HA ' HD12 ' A' ' 100' ' ' LEU . 80.8 mt -59.99 -44.91 95.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.956 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -64.96 -32.85 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.988 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.577 ' CD2' HD12 ' A' ' 78' ' ' ILE . 8.4 t60 -76.24 -33.8 59.2 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 97' ' ' ILE . 86.8 mt -58.52 -44.01 89.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.958 0.409 . . . . 0.0 110.107 173.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.74 -45.36 94.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.104 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 111' ' ' ASP . 29.1 tp -61.23 -41.47 96.93 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.8 0.333 . . . . 0.0 110.305 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 108' ' ' PHE . 73.6 t80 -58.04 -44.86 87.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.909 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.77 -39.48 56.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.234 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.78 -52.82 10.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.108 -173.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -112.82 -36.67 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.014 -175.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.42 163.08 11.33 Favored Glycine 0 C--O 1.228 -0.232 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.696 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.555 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 45.6 p90 -64.97 -24.83 67.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.894 0.378 . . . . 0.0 111.399 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 6.3 p-10 -72.04 -32.05 66.74 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.17 -34.25 49.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.954 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.505 ' HA ' HD23 ' A' ' 102' ' ' LEU . 71.5 m-20 -47.67 -62.52 1.41 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.697 0.761 . . . . 0.0 109.885 171.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.544 HG23 HD11 ' A' ' 85' ' ' LEU . 96.8 mt -61.09 -38.97 80.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.572 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 2.9 t70 -71.98 -33.6 68.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.601 -173.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.4 p -59.49 -35.99 75.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.796 0.332 . . . . 0.0 111.725 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -73.39 -16.68 61.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.636 -174.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.514 HG13 ' HG3' ' A' ' 56' ' ' ARG . 48.6 mm -71.94 -26.4 25.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.268 0.556 . . . . 0.0 110.204 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -107.35 -11.33 15.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.211 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.3 p -55.52 132.68 71.04 Favored Pre-proline 0 C--O 1.238 0.466 0 CA-C-O 121.085 0.469 . . . . 0.0 111.433 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.09 -38.9 94.11 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.974 2.45 . . . . 0.0 112.484 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.17 -36.98 85.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.714 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.506 ' HE1' ' HG3' ' A' ' 131' ' ' PRO . 79.4 t80 -60.35 -55.7 30.4 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 177.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.0 m -63.25 -43.97 96.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.019 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -65.36 -47.08 77.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.089 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.4 m -84.54 -45.0 13.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.2 -40.07 8.96 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.387 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 107.21 -161.67 13.66 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.076 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -103.88 -51.13 3.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.719 0.295 . . . . 0.0 111.772 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.517 ' CE3' HG23 ' A' ' 51' ' ' VAL . 80.8 m95 -95.96 10.1 38.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.572 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.752 HG22 ' HB3' ' A' ' 4' ' ' GLU . 61.4 t -96.07 129.48 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.169 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 86.9 t -71.91 125.2 91.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.013 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.506 ' HG3' ' HE1' ' A' ' 121' ' ' TYR . 17.1 Cg_exo -65.22 102.37 0.45 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.681 2.254 . . . . 0.0 111.194 177.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -89.4 133.11 34.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.715 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.544 ' HA ' ' HA3' ' A' ' 87' ' ' GLY . 35.7 t80 -55.77 122.77 12.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 173.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.552 HH11 ' HG3' ' A' ' 134' ' ' ARG . 21.4 mmm-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.233 -172.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.458 -0.611 0 CA-C-O 120.686 0.203 . . . . 0.0 111.888 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -84.69 119.11 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.462 ' HG3' HG22 ' A' ' 129' ' ' VAL . 35.5 tt0 -125.86 137.13 53.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.912 0.387 . . . . 0.0 110.712 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 128' ' ' TRP . 28.5 tp -108.56 99.04 8.47 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.432 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 16.3 ptt180 -105.01 166.68 10.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.47 -177.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.88 46.0 0.16 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.265 0.555 . . . . 0.0 112.333 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -153.75 26.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.432 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 69.2 p-90 -82.22 144.57 30.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.751 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 m -94.82 160.3 14.66 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 169.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -60.09 -35.91 76.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.036 0.38 . . . . 0.0 110.348 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.92 -40.51 84.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.454 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.5 m-20 -72.06 -30.61 65.31 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.683 ' HG ' ' HG2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -61.04 -43.69 98.5 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 174.09 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.01 -33.78 76.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.545 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.4 m -62.18 -44.0 97.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.497 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.526 HG21 HD13 ' A' ' 5' ' ' LEU . 90.4 t -62.03 -53.15 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.331 -178.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 pt -63.68 -39.3 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.438 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -20.0 61.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.477 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.48 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 175.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.96 -42.48 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.569 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.198 177.474 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.499 HD21 ' OG ' ' A' ' 61' ' ' SER . 80.9 mt . . . . . 0 N--CA 1.464 0.228 0 CA-C-O 121.319 0.581 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.23 -25.94 38.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.801 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 6.4 m -64.39 -42.9 95.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.162 176.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.74 64.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.3 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.38 -46.32 88.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.869 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -70.08 -43.78 70.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' SER . 82.7 mt -62.96 -28.66 70.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.538 0.209 . . . . 0.0 111.09 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.62 -46.75 65.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.137 177.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.683 ' HG2' ' HG ' ' A' ' 14' ' ' LEU . 63.6 mtt180 -65.31 -33.66 76.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 110.749 177.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.497 ' OD1' ' HE3' ' A' ' 48' ' ' LYS . 2.0 t-20 -82.51 -7.35 59.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.829 -177.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.07 32.98 77.72 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 113.156 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.497 ' HE3' ' OD1' ' A' ' 46' ' ' ASN . 93.7 mttt -96.96 -16.18 20.75 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.608 -0.348 . . . . 0.0 111.271 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 pp -131.81 155.35 41.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' ' HG2' ' A' ' 53' ' ' GLU . 76.4 p -89.14 172.72 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.2 t -65.02 -34.01 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.669 0.271 . . . . 0.0 110.825 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.721 ' HD2' ' CE2' ' A' ' 121' ' ' TYR . 61.9 mtm-85 -68.7 -32.01 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.313 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG2' ' OG1' ' A' ' 50' ' ' THR . 60.1 mm-40 -66.79 -37.8 85.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 110.042 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' VAL . 52.9 t80 -62.2 -45.34 93.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.564 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 51' ' ' VAL . 59.3 t -63.12 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.893 177.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.515 ' HB2' HG12 ' A' ' 116' ' ' ILE . 9.3 ttm180 -55.21 -46.81 75.93 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.213 0.53 . . . . 0.0 110.047 178.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.96 83.66 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.749 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' PHE . 63.8 t -59.74 -42.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.167 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB2' HD21 ' A' ' 85' ' ' LEU . . . -64.37 -28.77 69.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.771 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -101.8 16.11 26.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.49 . . . . 0.0 110.721 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.499 ' OG ' HD21 ' A' ' 37' ' ' LEU . 63.1 m -109.13 -164.68 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.188 -0.32 . . . . 0.0 111.856 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 67.53 -173.69 0.19 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.524 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.24 126.55 30.33 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 61.2 m-85 -63.35 146.19 54.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' TYR . 97.5 mttt . . . . . 0 C--O 1.235 0.291 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -170.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.285 0.564 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -83.94 -24.28 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.622 -173.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 p -43.88 -60.5 1.8 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -173.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.531 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 44.4 mtm105 -60.59 -35.43 76.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.496 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.5 t -65.07 -43.86 95.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.511 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 74.9 mt -62.85 -37.83 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.34 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.08 -30.65 71.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.7 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 91.1 mt -73.09 -54.0 9.63 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -52.59 -49.57 64.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.941 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.416 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.8 t80 -62.58 -44.85 95.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.924 -177.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -72.79 -19.1 61.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.225 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -94.74 -53.71 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.76 0.314 . . . . 0.0 111.281 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 59' ' ' ALA . 73.7 mt -77.68 -37.39 49.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.175 -170.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.681 ' HG ' ' HD2' ' A' ' 115' ' ' TYR . 84.5 mt -102.52 -10.69 19.12 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.099 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.44 21.55 64.67 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.004 -0.544 . . . . 0.0 113.354 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -132.64 162.84 30.31 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.435 -0.45 . . . . 0.0 110.486 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . . . -101.5 153.52 37.81 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.422 -173.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 89' ' ' ALA . 14.2 Cg_exo -68.56 95.75 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.748 2.299 . . . . 0.0 111.675 176.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -90.18 -21.07 22.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.274 0.559 . . . . 0.0 110.224 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -127.73 144.92 51.05 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.589 ' O ' HG12 ' A' ' 97' ' ' ILE . 12.1 pt-20 -69.98 -25.74 63.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.717 0.294 . . . . 0.0 110.434 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -59.15 -31.99 69.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.824 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -59.18 -49.29 78.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.107 0.479 . . . . 0.0 109.938 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.44 -45.31 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 93' ' ' GLU . 45.1 mm -56.02 -47.97 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.001 0.429 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -62.26 -42.86 99.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.114 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -72.49 -30.47 64.56 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.107 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.55 -50.03 75.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.009 0.433 . . . . 0.0 110.015 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.43 -50.14 70.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.709 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.23 -47.96 77.44 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.87 0.367 . . . . 0.0 111.091 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -56.16 -48.97 75.28 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.967 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 6.0 mm-40 -73.57 -17.73 61.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.748 -177.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.424 HD22 ' HA ' ' A' ' 105' ' ' ASN . 9.5 m120 -66.97 -55.14 15.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 0.0 111.051 176.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 30.7 mt-10 -120.56 -37.93 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -172.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 141.21 -177.17 21.22 Favored Glycine 0 C--O 1.238 0.366 0 C-N-CA 120.077 -1.059 . . . . 0.0 113.458 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -63.49 -33.72 76.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.317 -0.442 . . . . 0.0 110.592 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.95 -44.23 97.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 106' ' ' GLU . . . -59.74 -41.11 90.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.996 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.08 -59.15 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.181 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 42.0 mm -51.66 -49.01 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.5 -22.34 64.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.7 p -72.07 -34.94 69.1 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.097 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.681 ' HD2' ' HG ' ' A' ' 86' ' ' LEU . 83.8 m-85 -57.52 -53.6 56.3 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.886 0.374 . . . . 0.0 111.138 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' A' ' 56' ' ' ARG . 2.7 mp -69.21 -31.02 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.799 -172.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.52 -16.27 37.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.77 0.319 . . . . 0.0 111.177 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.5 t -59.19 129.14 86.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.084 0.469 . . . . 0.0 111.504 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . 0.534 ' O ' HG22 ' A' ' 122' ' ' THR . 27.9 Cg_endo -62.56 -39.64 43.38 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.13 2.554 . . . . 0.0 112.727 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.29 -26.72 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.207 0.527 . . . . 0.0 110.309 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.721 ' CE2' ' HD2' ' A' ' 52' ' ' ARG . 23.4 t80 -75.6 -39.89 57.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.652 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 119' ' ' PRO . 2.8 t -74.44 -24.94 59.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.958 0.409 . . . . 0.0 110.311 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -77.53 -33.35 54.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.454 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.2 p -81.18 -41.94 21.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.702 -177.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.416 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 94.2 m-85 -108.35 -38.82 5.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.62 -168.98 18.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.446 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.458 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 16.4 m-20 -95.71 -22.23 17.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.749 0.309 . . . . 0.0 111.084 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.541 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 89.2 m95 -118.41 10.17 12.62 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.462 HG22 ' HG3' ' A' ' 4' ' ' GLU . 97.4 t -112.17 135.36 51.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.822 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.93 124.25 89.42 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.199 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.43 ' HG3' ' OH ' ' A' ' 121' ' ' TYR . 37.9 Cg_endo -65.29 109.15 1.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.804 2.336 . . . . 0.0 112.231 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -105.8 145.3 31.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -62.93 129.06 38.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.274 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.721 177.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.234 0.304 0 CA-C-O 121.025 0.344 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.39 103.23 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.771 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.65 145.97 47.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.756 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.519 ' HB2' HG21 ' A' ' 17' ' ' VAL . 33.6 tp -100.98 116.24 32.37 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 3.4 mpt_? -80.76 161.92 24.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.322 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.08 81.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 110.302 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -104.09 46.93 0.89 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.751 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -62.35 156.28 22.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.253 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t -106.53 167.41 9.87 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 171.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.13 -33.51 67.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 110.255 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.28 -45.68 90.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.466 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -68.96 -43.44 75.0 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.252 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' A' ' 44' ' ' LEU . 33.1 tp -57.32 -51.88 67.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.728 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.29 -30.94 71.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.418 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.9 m -63.2 -47.73 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.023 0.439 . . . . 0.0 110.178 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 5' ' ' LEU . 94.7 t -64.75 -47.66 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 70.4 mt -61.39 -48.66 87.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.279 -178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -61.33 -33.45 73.64 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.202 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.76 84.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.284 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -83.88 -32.79 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.499 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.507 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.349 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.467 HD11 HG22 ' A' ' 58' ' ' VAL . 1.7 pt? . . . . . 0 CA--C 1.533 0.289 0 CA-C-O 121.389 0.614 . . . . 0.0 112.201 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.1 p -63.99 -25.41 38.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.458 0.647 . . . . 0.0 109.385 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.448 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.0 p -64.27 -39.02 93.09 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.357 175.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.39 95.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.322 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.54 -39.3 87.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.55 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.5 t -65.1 -44.93 87.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.418 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 39' ' ' SER . 96.0 mt -63.02 -33.24 75.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.094 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 14' ' ' LEU . 38.3 tp -71.51 -41.2 69.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.472 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -66.1 -29.58 69.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.98 0.419 . . . . 0.0 111.21 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -91.05 8.11 37.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.078 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 34.03 87.3 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 113.178 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -92.53 -41.12 10.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.753 0.311 . . . . 0.0 111.061 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.562 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 43.0 pt -106.47 155.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.595 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.3 p -90.83 174.17 7.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.125 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.504 HG23 ' CE3' ' A' ' 128' ' ' TRP . 90.9 t -61.47 -32.83 54.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.773 ' HD2' HG21 ' A' ' 122' ' ' THR . 3.9 mmp_? -61.39 -49.36 77.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.243 176.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.562 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 58.9 mm-40 -63.47 -42.36 98.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.05 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.406 ' HZ ' HG23 ' A' ' 18' ' ' ILE . 76.9 t80 -63.31 -50.73 68.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.674 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.12 -42.48 90.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.554 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.9 ' HD3' HG13 ' A' ' 116' ' ' ILE . 17.9 ttp180 -61.41 -42.17 98.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.64 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.49 87.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.169 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.467 HG22 HD11 ' A' ' 37' ' ' LEU . 56.9 t -66.65 -45.88 87.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.804 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.34 78.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.628 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.526 ' HD2' ' HG2' ' A' ' 56' ' ' ARG . 7.2 mtpp -76.19 -13.41 60.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.576 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.0 p -110.53 -92.95 0.44 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.196 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 65.0 -58.66 0.26 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.538 0.735 . . . . 0.0 110.415 -173.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.4 tp 77.68 161.96 0.22 Allowed 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 124.074 0.949 . . . . 0.0 111.142 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 69.91 -174.1 0.18 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.408 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.0 mptt . . . . . 0 C--N 1.321 -0.639 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.719 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 CA--C 1.519 -0.232 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.79 -26.93 40.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -58.48 -29.09 65.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.851 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -56.85 -35.35 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.308 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.0 t -73.84 -36.31 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.302 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.14 -41.99 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.345 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.59 -52.01 67.37 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 tt -52.31 -55.38 21.81 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.755 HD21 HG12 ' A' ' 112' ' ' ILE . 45.8 t-20 -54.28 -61.12 2.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.596 -1.183 . . . . 0.0 111.236 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.79 -28.17 63.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.995 -171.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.45 -26.42 66.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.942 0.401 . . . . 0.0 110.161 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -95.65 -37.55 10.77 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.07 -37.36 26.53 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.9 mt -98.1 -18.59 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.283 0.563 . . . . 0.0 110.151 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.653 ' CA ' ' HA ' ' A' ' 133' ' ' TYR . . . 85.44 13.74 69.96 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.071 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -168.07 135.33 2.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.5 160.18 77.62 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.855 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -46.58 138.24 14.53 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.104 2.536 . . . . 0.0 112.586 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -68.92 -58.85 3.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.841 -171.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 93' ' ' GLU . 35.5 t70 -137.09 -177.4 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.596 0.236 . . . . 0.0 110.925 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.475 ' H ' ' CG ' ' A' ' 92' ' ' ASP . 8.0 tp10 -51.21 -37.2 45.49 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.083 0.953 . . . . 0.0 112.052 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 p -54.07 -45.1 71.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.552 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.23 -40.1 78.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.048 0.451 . . . . 0.0 110.154 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.1 t -61.91 -51.17 75.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.478 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.35 -51.18 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.68 -43.61 85.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.334 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -79.05 -34.48 43.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.22 -42.09 98.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.54 -55.14 35.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.705 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 111' ' ' ASP . 28.0 tp -66.04 -43.47 87.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.922 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.04 -46.64 87.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.325 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -85.23 -29.1 24.93 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.794 -175.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.41 -57.7 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.095 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -93.93 -32.18 13.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.324 -173.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.57 167.25 12.93 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.008 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -64.82 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.72 -49.31 73.37 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.541 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.26 -44.78 82.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.414 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.531 ' HA ' HD23 ' A' ' 102' ' ' LEU . 28.0 t70 -65.01 -42.87 94.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.755 HG12 HD21 ' A' ' 81' ' ' ASN . 74.1 mt -61.46 -34.3 60.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.337 0.589 . . . . 0.0 110.896 176.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.625 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -70.03 -25.48 63.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.605 -176.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.8 m -61.38 -28.34 69.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.87 -37.7 86.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.63 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.9 HG13 ' HD3' ' A' ' 56' ' ' ARG . 46.2 mm -77.87 -24.12 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.288 -178.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.74 14.21 1.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.417 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -110.71 80.78 2.24 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.891 0.377 . . . . 0.0 110.0 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.64 -43.29 0.66 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.409 2.073 . . . . 0.0 112.503 -175.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -57.01 -48.1 79.28 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.081 0.467 . . . . 0.0 110.63 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -65.09 -41.17 95.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.312 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.773 HG21 ' HD2' ' A' ' 52' ' ' ARG . 54.3 m -61.02 -47.3 87.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.406 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -57.87 -37.16 73.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.952 0.406 . . . . 0.0 110.579 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 m -84.5 -17.96 37.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.827 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -98.92 -38.4 9.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.846 0.355 . . . . 0.0 111.33 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 147.83 106.82 0.45 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.691 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -65.18 -42.83 93.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.197 0.522 . . . . 0.0 110.301 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.504 ' CE3' HG23 ' A' ' 51' ' ' VAL . 79.2 m95 -114.55 38.02 3.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.55 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 58.0 t -118.21 143.07 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.552 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 63.2 t -78.78 127.33 80.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.157 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.78 130.91 37.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.97 2.447 . . . . 0.0 113.026 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -126.1 163.81 22.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.416 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.653 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 18.8 p90 -72.01 122.46 20.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.36 0.6 . . . . 0.0 111.235 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.463 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo . . . . . 0 N--CA 1.46 -0.451 0 N-CA-C 111.523 -0.222 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 43.7 t -76.68 99.12 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 9.6 pt-20 -101.26 151.54 21.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.904 0.383 . . . . 0.0 111.417 -174.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.505 HD13 HG21 ' A' ' 17' ' ' VAL . 61.9 tp -115.83 111.64 20.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.593 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -95.25 162.51 13.66 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.199 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.97 -21.85 66.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.986 0.422 . . . . 0.0 111.012 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -113.44 87.05 2.52 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.527 ' CZ2' ' HG3' ' A' ' 45' ' ' ARG . 47.4 p-90 -109.5 152.85 24.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.476 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -86.64 150.99 23.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.079 171.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 38.8 tt0 -53.98 -45.98 71.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.61 -176.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.59 -25.16 62.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.392 . . . . 0.0 111.045 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.22 -46.52 73.57 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.0 -38.38 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.357 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 11.6 mm-40 -55.66 -41.65 73.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.725 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -70.35 -38.23 74.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 5' ' ' LEU . 96.3 t -59.86 -53.71 44.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.99 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.494 ' HB ' ' CZ ' ' A' ' 22' ' ' TYR . 30.9 pt -69.31 -30.26 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.083 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 19' ' ' ARG . 9.3 ttp180 -67.29 -26.05 66.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.878 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.24 -31.73 38.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.447 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.2 -51.21 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.645 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' CZ ' ' HB ' ' A' ' 18' ' ' ILE . 23.8 p90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-O 121.07 0.462 . . . . 0.0 110.275 178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.59 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 77.9 mt . . . . . 0 N--CA 1.466 0.346 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.75 -36.84 68.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.972 0.415 . . . . 0.0 111.015 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 49.6 m -63.23 -40.76 98.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.983 0.421 . . . . 0.0 110.282 177.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.1 86.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.492 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 61.0 mt-10 -57.09 -50.8 71.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 177.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -62.51 -39.95 95.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.013 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 39' ' ' SER . 88.1 mt -66.34 -40.18 89.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.973 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 tp -71.1 -40.96 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.353 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 9' ' ' TRP . 65.9 ttp85 -57.69 -37.12 72.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.134 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -94.23 10.29 34.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.285 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.36 30.07 64.16 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.127 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -84.65 -28.45 26.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.009 0.433 . . . . 0.0 110.447 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.61 153.26 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.109 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.3 p -76.37 154.97 34.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.433 HG23 ' CE3' ' A' ' 128' ' ' TRP . 84.2 t -60.36 -36.23 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.702 ' HD3' HG21 ' A' ' 122' ' ' THR . 18.7 ttp180 -56.26 -47.4 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.164 0.507 . . . . 0.0 110.434 176.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -70.11 -36.23 74.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.661 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' VAL . 91.7 t80 -60.01 -51.96 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 177.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.9 -40.15 82.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.71 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HB2' HG21 ' A' ' 116' ' ' ILE . 12.9 ttp180 -57.16 -50.48 72.69 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.299 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.99 -51.07 71.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.766 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.555 HG22 HD13 ' A' ' 37' ' ' LEU . 86.3 t -56.73 -51.75 62.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.821 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.61 -28.6 68.63 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -173.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -100.65 5.7 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -174.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.512 ' OG ' HD21 ' A' ' 37' ' ' LEU . 62.2 p -120.07 16.75 12.47 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -174.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.08 133.76 43.88 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.173 0.511 . . . . 0.0 110.881 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.79 -63.53 1.26 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.867 -170.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -120.22 160.83 22.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.881 0.372 . . . . 0.0 111.088 -173.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.4 tttt . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.682 176.534 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -57.71 -22.2 45.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.776 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.491 HG23 HG11 ' A' ' 96' ' ' VAL . 17.9 m -44.65 -37.83 3.92 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.324 172.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.407 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -59.59 -31.37 69.41 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.642 -179.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' A' ' 80' ' ' LEU . 47.0 t -72.39 -40.61 64.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.864 0.364 . . . . 0.0 110.666 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -43.96 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 0.0 109.921 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 47.4 mt-10 -63.39 -36.99 85.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.961 175.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 10.2 tt -55.42 -48.87 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.927 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.73 -39.34 91.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -50.43 74.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.696 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 14.8 mtpp -69.56 -24.41 63.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.319 -176.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -90.58 -40.01 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 112' ' ' ILE . 94.9 mt -89.77 -42.82 11.08 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.694 -173.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' HG ' ' HD1' ' A' ' 115' ' ' TYR . 53.7 mt -96.1 -21.73 17.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.112 0.482 . . . . 0.0 110.439 177.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.53 18.87 57.91 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.17 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.447 ' HA ' ' CE1' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -156.57 176.91 12.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.319 0.56 . . . . 0.0 110.738 175.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.91 157.18 46.37 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.096 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.21 142.12 56.96 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.448 2.098 . . . . 0.0 111.774 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -78.41 -33.45 48.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.312 0.577 . . . . 0.0 109.683 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -146.91 158.64 43.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.162 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 97' ' ' ILE . 13.4 pt-20 -75.06 -10.81 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.53 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 p -59.82 -39.03 83.69 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.226 0.536 . . . . 0.0 109.98 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 37.0 mt-10 -64.79 -39.61 93.88 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.488 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG11 HG23 ' A' ' 75' ' ' THR . 58.2 t -61.24 -44.99 99.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.357 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 93' ' ' GLU . 72.7 mt -56.79 -45.19 82.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.734 177.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -58.96 -43.73 91.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.772 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.4 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 47.4 m-70 -72.37 -34.59 68.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.308 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.23 -49.02 79.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.124 0.488 . . . . 0.0 109.953 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.25 -48.38 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.732 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 111' ' ' ASP . 52.3 tp -60.56 -45.33 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.821 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.01 -37.77 86.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.059 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.2 -33.79 29.23 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.937 -177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -81.53 -58.98 2.78 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.396 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -94.06 -32.85 13.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.75 0.31 . . . . 0.0 111.318 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.5 176.59 17.97 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.856 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -63.22 -24.75 68.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 110.787 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 16.4 t70 -55.51 -48.71 74.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.449 176.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.1 -35.18 59.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.24 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.445 ' HA ' HD23 ' A' ' 102' ' ' LEU . 29.5 t70 -59.69 -57.71 11.76 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.495 HG23 HD11 ' A' ' 85' ' ' LEU . 63.5 mt -62.13 -37.66 79.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.073 0.463 . . . . 0.0 110.812 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 1.3 t70 -67.27 -33.67 75.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.395 -175.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 87.0 p -58.32 -39.81 80.41 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.439 ' HD1' ' HG ' ' A' ' 86' ' ' LEU . 93.7 m-85 -64.25 -37.45 87.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.354 0.597 . . . . 0.0 110.596 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' A' ' 56' ' ' ARG . 40.1 mt -90.35 -15.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.221 -170.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -75.62 -16.42 60.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.142 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.2 t -92.16 110.98 47.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.922 0.392 . . . . 0.0 111.142 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.0 -25.27 16.45 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.541 2.16 . . . . 0.0 111.68 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.53 -53.19 60.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.97 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -72.93 -33.29 65.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.127 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.702 HG21 ' HD3' ' A' ' 52' ' ' ARG . 95.5 m -58.19 -55.92 28.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.032 0.444 . . . . 0.0 110.524 176.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.489 ' HA ' ' OD1' ' A' ' 127' ' ' ASP . 4.4 t-20 -65.77 -26.4 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.906 -178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.2 t -79.22 -17.59 54.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.916 -177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.566 ' HE2' ' HB3' ' A' ' 131' ' ' PRO . 1.9 t80 -114.93 -38.38 3.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.34 -176.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.642 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 154.72 103.37 0.22 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.814 178.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.489 ' OD1' ' HA ' ' A' ' 123' ' ' ASN . 4.9 m-20 -65.95 -34.59 78.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 110.603 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.433 ' CE3' HG23 ' A' ' 51' ' ' VAL . 91.9 m95 -120.56 26.27 9.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.978 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.642 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 61.7 t -121.65 137.14 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.478 -176.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 61.3 t -79.13 120.57 81.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.566 ' HB3' ' HE2' ' A' ' 125' ' ' PHE . 50.8 Cg_exo -54.98 141.77 77.93 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.256 2.638 . . . . 0.0 113.604 -176.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -123.24 172.38 8.66 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.447 ' CE1' ' HA ' ' A' ' 88' ' ' ARG . 2.4 t80 -81.43 129.85 34.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.084 0.468 . . . . 0.0 111.21 -177.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.688 -177.408 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.598 0.166 . . . . 0.0 111.788 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.24 107.58 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.983 0.421 . . . . 0.0 109.885 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -140.32 147.99 40.7 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.604 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.562 ' HB2' HG21 ' A' ' 17' ' ' VAL . 31.6 tp -106.47 102.54 11.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.8 mtm-85 -73.49 151.8 40.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.559 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.16 -41.0 64.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.867 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -93.58 89.62 6.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.252 0.549 . . . . 0.0 109.706 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.546 ' HH2' ' HG3' ' A' ' 45' ' ' ARG . 64.4 p-90 -115.2 160.36 19.82 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.359 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -109.96 169.22 8.87 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 171.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.87 -36.36 65.04 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.016 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.82 -37.98 86.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.568 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.5 m-20 -63.26 -51.64 65.32 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.169 0.509 . . . . 0.0 109.925 175.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.26 -44.78 84.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.748 -177.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -55.42 -51.68 66.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.965 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.3 m -60.9 -40.32 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 5' ' ' LEU . 96.3 t -65.53 -50.18 73.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.803 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.24 -39.01 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.198 0.523 . . . . 0.0 110.827 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.462 ' HD2' ' O ' ' A' ' 19' ' ' ARG . 2.6 tmm_? -66.2 -30.73 71.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.575 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.94 -37.87 21.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.451 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 17' ' ' VAL . 96.7 t -65.03 -51.51 65.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.877 0.37 . . . . 0.0 110.264 178.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 174.871 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 58' ' ' VAL . 86.6 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.899 0.381 . . . . 0.0 111.422 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.7 -26.04 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.339 0.59 . . . . 0.0 109.736 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.1 p -63.6 -41.23 98.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.322 174.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.06 84.35 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.307 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -58.57 -43.64 89.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.032 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.2 t -64.55 -41.01 96.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.957 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 39' ' ' SER . 85.9 mt -58.37 -46.57 86.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.912 0.386 . . . . 0.0 110.267 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.2 tp -66.65 -43.96 83.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.302 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HG3' ' HH2' ' A' ' 9' ' ' TRP . 32.6 ttt180 -61.84 -38.13 87.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.906 -176.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.401 ' HA ' HD22 ' A' ' 46' ' ' ASN . 0.6 OUTLIER -91.66 8.8 35.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.087 -176.193 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.41 32.1 68.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.145 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -88.59 -31.73 18.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.876 0.37 . . . . 0.0 110.346 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.807 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 43.0 pt -135.9 166.57 26.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.858 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p -97.63 -176.54 3.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' CE3' ' A' ' 128' ' ' TRP . 95.6 t -62.1 -28.16 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 110.339 177.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.484 ' CD ' HG21 ' A' ' 122' ' ' THR . 28.4 mtm180 -62.8 -51.0 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.465 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.807 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 3.9 mp0 -66.97 -33.83 76.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.98 0.419 . . . . 0.0 110.333 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.471 ' O ' HG23 ' A' ' 58' ' ' VAL . 69.8 t80 -62.53 -53.67 51.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.452 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 51' ' ' VAL . 93.6 t -63.71 -35.39 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.593 HH21 ' HG3' ' A' ' 53' ' ' GLU . 59.0 ttp85 -61.91 -42.2 98.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.399 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -35.2 80.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.815 0.341 . . . . 0.0 110.681 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 54' ' ' PHE . 69.2 t -70.82 -46.28 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.945 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.81 -33.6 66.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.779 -176.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 53.1 mtpt -100.41 17.15 22.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.387 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 p -66.83 170.46 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.161 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.91 168.0 19.8 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.266 -0.271 . . . . 0.0 111.707 -175.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 99.3 mt 72.28 173.71 0.3 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.934 0.771 . . . . 0.0 111.213 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.6 t80 56.83 68.74 0.82 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.646 0.591 . . . . 0.0 111.031 174.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 N--CA 1.468 0.457 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.388 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 121.232 0.539 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -64.06 -39.64 94.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.987 176.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.7 m -56.64 -32.24 65.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.117 0.484 . . . . 0.0 111.422 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -68.1 -24.9 65.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.749 -176.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 83.9 t -61.87 -52.45 60.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.16 0.505 . . . . 0.0 109.771 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 99' ' ' HIS . 48.4 mt -56.76 -45.96 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.821 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.2 -42.79 99.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.161 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.57 -37.75 73.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.23 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.38 -42.81 99.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.663 0.268 . . . . 0.0 110.61 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -63.78 -43.78 95.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.242 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.31 -32.5 73.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 111.423 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -81.29 -29.5 34.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.839 -175.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.9 mt -101.35 -53.66 2.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.1 mt -105.22 -26.61 11.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 111.433 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.661 ' HA3' ' HA ' ' A' ' 133' ' ' TYR . . . 75.24 14.91 81.47 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.572 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -123.07 132.87 54.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.47 155.45 58.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 123.565 0.54 . . . . 0.0 111.395 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.23 143.34 26.23 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.167 2.578 . . . . 0.0 112.115 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.646 ' HB2' ' HG3' ' A' ' 95' ' ' GLU . 83.7 m-85 -68.77 -33.97 74.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.42 -170.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -156.98 167.67 29.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.6 tp10 -63.41 -41.24 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 175.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -65.76 -34.52 78.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.045 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.646 ' HG3' ' HB2' ' A' ' 91' ' ' TYR . 1.4 tm-20 -58.87 -44.01 90.99 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.125 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.57 -43.19 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.746 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 93' ' ' GLU . 47.9 mm -58.63 -42.33 84.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.467 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -58.8 -42.97 90.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.709 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.471 ' HB2' HD13 ' A' ' 78' ' ' ILE . 54.0 m-70 -71.71 -35.65 70.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.417 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 86.9 mt -58.27 -48.05 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.0 -35.95 82.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.708 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.15 -42.36 99.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . 0.457 ' O ' ' HA2' ' A' ' 107' ' ' GLY . 23.0 t80 -63.15 -36.68 84.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.193 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 46.2 mt-10 -75.7 -47.57 25.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.854 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -59.1 3.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.978 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.97 -36.13 8.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.747 -172.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 103' ' ' TYR . . . 111.2 177.69 20.4 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.643 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 112' ' ' ILE . 23.3 p90 -60.75 -24.17 65.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.564 -0.318 . . . . 0.0 111.011 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.533 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -53.78 -59.92 3.99 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 175.35 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 113' ' ' ASP . . . -66.0 -28.63 69.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.388 -177.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -63.62 -43.82 95.73 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.669 -0.413 . . . . 0.0 109.892 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 108' ' ' PHE . 36.2 mm -67.76 -45.24 84.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 121.413 0.625 . . . . 0.0 110.045 174.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 110' ' ' ALA . 8.8 m-20 -63.74 -20.24 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.101 -178.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 m -47.7 -42.71 25.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.425 0.155 . . . . 0.0 111.314 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -88.33 -50.86 6.07 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 56' ' ' ARG . 55.8 mt -74.53 -30.44 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -168.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.29 -13.2 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.838 0.352 . . . . 0.0 110.621 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.6 p -100.15 117.63 62.87 Favored Pre-proline 0 C--O 1.236 0.376 0 CA-C-O 121.235 0.54 . . . . 0.0 110.83 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.86 -39.82 58.65 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.765 2.31 . . . . 0.0 112.515 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.71 -45.25 92.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.9 0.381 . . . . 0.0 111.145 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -71.5 -34.94 70.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.446 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.484 HG21 ' CD ' ' A' ' 52' ' ' ARG . 28.4 m -75.89 -50.93 13.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.996 0.427 . . . . 0.0 110.61 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.32 -19.91 62.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.1 t -47.37 -49.61 24.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.565 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -127.88 -12.11 5.36 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 151.42 144.81 4.0 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 119.512 -1.328 . . . . 0.0 113.81 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.21 -32.74 18.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.502 0.668 . . . . 0.0 110.085 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . 0.446 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 82.0 m95 -103.45 19.1 20.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.157 -173.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 59.2 t -93.91 141.24 15.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.794 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.49 136.19 71.67 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.38 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -39.03 119.8 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 124.316 3.344 . . . . 0.0 113.033 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -87.27 143.83 27.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.303 -174.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . 0.661 ' HA ' ' HA3' ' A' ' 87' ' ' GLY . 34.6 t80 -109.7 122.18 46.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 160.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.024 0.44 . . . . 0.0 110.201 -175.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HB3' ' HB3' ' A' ' 132' ' ' TYR . 50.8 Cg_exo . . . . . 0 C--O 1.231 0.14 0 N-CA-C 111.774 -0.125 . . . . 0.0 111.774 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.12 109.61 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.185 0.517 . . . . 0.0 111.902 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.42 156.75 30.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.118 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 tp -112.42 100.29 8.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.513 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 84.9 mtt-85 -80.73 158.08 25.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.225 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.63 37.16 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.401 . . . . 0.0 111.979 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 6' ' ' ARG . 7.7 t30 -169.86 77.09 0.09 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.513 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 42.5 p-90 -118.61 169.96 9.36 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.549 -173.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t -114.67 172.45 7.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 170.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.61 -33.71 75.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.598 0.237 . . . . 0.0 111.288 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.35 -43.9 96.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.149 0.499 . . . . 0.0 109.729 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.15 -44.68 83.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.163 177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.81 -46.07 90.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.859 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -58.72 -37.44 76.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.425 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.6 m -61.42 -43.06 99.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.566 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 21' ' ' VAL . 62.9 t -69.81 -49.45 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.012 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.14 -50.22 78.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.296 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -67.08 -31.84 72.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.492 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.62 -33.34 75.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 110.753 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 17' ' ' VAL . 68.1 t -76.93 -53.15 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.083 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 p90 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.043 -175.767 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 N--CA 1.463 0.211 0 CA-C-O 121.212 0.529 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.76 -33.75 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.933 -174.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 14.0 m -67.28 -41.72 84.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.065 0.46 . . . . 0.0 110.295 177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.03 -36.32 77.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.47 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.01 -49.07 79.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.518 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.8 m -58.47 -42.74 88.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.726 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.5 mt -60.62 -38.88 86.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.042 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.5 tp -78.18 -40.25 38.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.827 0.346 . . . . 0.0 110.812 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.43 ' O ' ' HH2' ' A' ' 9' ' ' TRP . 58.6 ttt180 -68.41 -34.19 75.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.471 -175.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -85.2 -24.52 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.526 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.59 49.1 2.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.965 -0.635 . . . . 0.0 113.087 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -98.42 -47.84 5.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.568 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 pt -96.53 172.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 -175.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.3 p -102.6 168.54 9.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.291 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.1 t -64.5 -28.29 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.102 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -55.4 -44.6 76.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.38 176.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.17 -34.7 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.875 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.03 -47.59 85.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.25 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.039 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 33.0 ttm180 -49.16 -52.45 26.37 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.422 178.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.37 86.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.678 -175.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.9 t -73.82 -40.76 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.072 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.6 63.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.332 -174.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 16.3 ptpt -85.23 16.5 3.56 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.8 m -109.18 -91.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.149 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 48.64 32.96 3.79 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 122.842 0.457 . . . . 0.0 111.935 -175.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.9 mt 69.83 6.35 5.69 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.441 0.696 . . . . 0.0 112.299 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 69.04 -68.68 0.18 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.548 0.739 . . . . 0.0 111.561 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.429 0.633 . . . . 0.0 110.598 178.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.971 0.415 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.86 ' HA ' HE21 ' A' ' 74' ' ' GLN . 0.0 OUTLIER -64.68 -26.57 68.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.678 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.512 HG22 HD21 ' A' ' 100' ' ' LEU . 54.7 p -61.61 -46.33 90.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.508 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.592 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 97.9 mtt180 -68.43 -28.74 67.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.605 -175.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -59.22 -50.29 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 175.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.536 HD13 ' HB3' ' A' ' 99' ' ' HIS . 70.0 mt -60.68 -42.57 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.296 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 75' ' ' THR . 49.1 mt-10 -58.72 -38.72 78.97 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 90.3 mt -61.35 -56.71 17.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -65.33 -36.16 83.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 110.296 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 7.7 t80 -55.89 -49.54 73.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.838 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -66.32 -40.19 89.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.089 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -62.79 -41.5 99.29 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 131' ' ' PRO . 93.0 mt -84.34 -50.47 7.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.336 -173.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.0 mt -96.73 -10.5 26.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -169.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.1 30.08 69.65 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.094 -174.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.533 ' HG3' ' HD2' ' A' ' 134' ' ' ARG . 69.0 ttt180 -143.91 141.07 30.06 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -171.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.89 147.92 37.19 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 120.502 0.191 . . . . 0.0 110.594 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.33 129.49 30.06 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.665 2.243 . . . . 0.0 111.754 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -81.21 -42.48 20.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.879 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -117.94 177.56 4.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.562 ' O ' HG12 ' A' ' 97' ' ' ILE . 32.7 tt0 -87.04 -28.48 22.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.52 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.6 t -63.29 -38.14 89.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.663 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -46.88 82.87 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.455 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 41.7 t -64.41 -41.34 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.042 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 93' ' ' GLU . 50.5 mm -58.94 -39.82 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -63.18 -41.68 99.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.225 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.536 ' HB3' HD13 ' A' ' 78' ' ' ILE . 89.7 m-70 -66.84 -38.59 86.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.647 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.512 HD21 HG22 ' A' ' 75' ' ' THR . 88.1 mt -58.12 -48.29 80.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.206 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 20.5 t70 -60.75 -47.62 85.5 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.475 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.24 -45.44 94.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.874 0.369 . . . . 0.0 111.004 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -58.94 -42.12 89.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.627 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -87.89 -18.32 29.45 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.664 -176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.691 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 1.2 t-20 -85.17 -58.24 2.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.776 0.322 . . . . 0.0 111.253 -177.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -105.82 -33.56 7.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.291 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.77 172.33 12.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.298 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -67.41 -38.48 84.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.232 0.539 . . . . 0.0 109.732 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.45 -40.37 74.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.564 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.95 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.764 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.07 -40.46 82.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.575 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 35.4 mm -64.28 -34.41 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.396 0.617 . . . . 0.0 110.313 175.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.529 ' HA ' HD12 ' A' ' 116' ' ' ILE . 9.7 t70 -70.39 -20.28 62.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.426 -175.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.3 p -54.08 -46.63 72.09 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.629 ' HD1' ' HB3' ' A' ' 121' ' ' TYR . 26.5 t80 -62.35 -29.69 70.64 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.141 0.496 . . . . 0.0 111.164 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 113' ' ' ASP . 9.8 mt -85.16 -33.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 -176.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.46 -30.63 29.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.534 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 62.5 p -85.37 120.88 73.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 0.0 111.272 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.86 -25.47 52.82 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.346 2.031 . . . . 0.0 111.343 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.85 -58.13 9.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.793 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.629 ' HB3' ' HD1' ' A' ' 115' ' ' TYR . 45.6 m-85 -63.88 -39.15 93.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.744 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 76.8 m -56.88 -52.27 65.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.301 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -20.72 57.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.838 0.351 . . . . 0.0 110.791 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.8 t -63.62 -49.6 72.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.665 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -97.07 -34.7 11.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 124.93 135.35 4.36 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 52.8 t0 -69.07 -50.52 47.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -95.21 12.93 27.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.898 -177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.17 136.9 48.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.134 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.8 118.12 70.57 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.453 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -50.95 119.79 5.79 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.938 2.425 . . . . 0.0 112.53 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 2' ' ' PRO . 41.2 p90 -87.41 160.74 18.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.094 -175.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -78.1 136.98 37.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.052 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.533 ' HD2' ' HG3' ' A' ' 88' ' ' ARG . 1.8 ptm180 . . . . . 0 C--N 1.323 -0.546 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.827 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 96.0 mmm . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 19.6 Cg_exo -65.98 133.5 33.72 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.896 2.397 . . . . 0.0 112.419 -178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 40.6 t -88.08 125.38 41.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -137.7 146.78 44.19 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.3 tp -99.89 107.82 19.91 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 88.9 mtt180 -90.0 159.55 16.81 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.956 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.22 -31.65 71.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.328 0.585 . . . . 0.0 110.473 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -101.16 86.34 3.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.433 -0.803 . . . . 0.0 108.89 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.408 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 68.8 p-90 -118.69 150.2 40.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.439 0.637 . . . . 0.0 112.006 -174.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.7 t -98.22 155.62 17.09 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 170.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.766 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 34.6 mt-10 -57.89 -40.34 80.04 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.866 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -56.05 -36.25 67.84 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.04 0.448 . . . . 0.0 111.675 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' HG23 ' A' ' 17' ' ' VAL . 33.3 t70 -67.91 -44.69 76.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.728 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.535 HD21 ' HA ' ' A' ' 45' ' ' ARG . 64.0 tp -66.95 -37.12 83.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.696 -0.683 . . . . 0.0 111.265 178.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.766 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 5.1 mm-40 -57.99 -36.32 72.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.283 0.563 . . . . 0.0 109.605 176.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -67.23 -43.14 82.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.383 176.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 13' ' ' ASP . 96.9 t -60.13 -55.4 24.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.436 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 41.4 pt -63.09 -34.92 69.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.491 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -75.41 -19.97 59.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.73 0.3 . . . . 0.0 111.563 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.83 -35.18 44.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.768 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -84.82 -42.67 16.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.448 -177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -61.34 146.7 47.23 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 111.249 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -82.22 91.33 6.72 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.06 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -68.59 104.08 1.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 27' ' ' GLY . 22.2 m -78.57 -176.56 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.221 -177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 pp -69.98 -12.33 61.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.452 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.447 ' H ' HG23 ' A' ' 25' ' ' VAL . . . -83.67 113.29 3.69 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 173.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -58.6 -65.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -124.92 80.92 1.91 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.349 0.595 . . . . 0.0 111.166 -177.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -131.47 22.11 4.74 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.012 174.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.4 p 43.93 66.45 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 CA-C-O 122.254 1.026 . . . . 0.0 110.92 -169.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.3 mmt 61.82 -167.3 0.2 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.178 -1.374 . . . . 0.0 111.249 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.03 79.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.8 p 49.97 24.33 1.32 Allowed 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.837 0.855 . . . . 0.0 111.827 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -93.74 100.28 12.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.628 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -136.47 102.94 5.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.197 -173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.485 HD11 ' HA ' ' A' ' 58' ' ' VAL . 29.9 mt -105.68 65.96 0.72 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.51 176.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.2 p -55.02 -33.27 28.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.966 -174.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.9 m -76.04 -45.3 35.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.653 0.263 . . . . 0.0 110.704 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.17 -41.71 99.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.689 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -58.9 -50.42 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.156 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 p -68.68 -39.54 80.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.369 -176.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.5 mt -68.26 -38.29 81.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.502 0.191 . . . . 0.0 111.199 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.7 tp -71.82 -39.02 70.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.999 0.428 . . . . 0.0 110.394 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.535 ' HA ' HD21 ' A' ' 14' ' ' LEU . 19.6 ttt85 -69.84 -18.62 63.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.669 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -94.35 -2.68 51.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.666 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.79 42.44 97.09 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.191 -0.528 . . . . 0.0 112.775 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.7 mtpt -106.07 -36.53 6.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.826 0.346 . . . . 0.0 111.182 179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.8 pt -103.31 152.9 5.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.6 p -84.85 162.55 19.48 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 -178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 55' ' ' VAL . 61.3 t -58.56 -34.65 51.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.189 176.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HD2' HG23 ' A' ' 122' ' ' THR . 1.0 OUTLIER -55.4 -49.77 71.47 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.415 0.626 . . . . 0.0 110.422 177.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.66 -33.67 72.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.82 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -66.37 -37.97 86.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.142 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 51' ' ' VAL . 53.1 t -57.46 -42.52 80.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.675 175.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 53.6 ttp180 -56.35 -51.84 66.8 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.955 0.407 . . . . 0.0 110.46 177.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.91 -44.21 91.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.593 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.485 ' HA ' HD11 ' A' ' 37' ' ' LEU . 59.5 t -73.47 -38.19 52.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.557 0.218 . . . . 0.0 111.495 -176.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.73 79.11 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 18.8 ptpt -113.11 17.34 18.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.661 0.267 . . . . 0.0 110.921 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.0 p -55.65 -70.41 0.11 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.642 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -92.91 171.36 9.01 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.6 mp -51.92 108.2 0.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.038 0.447 . . . . 0.0 110.498 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -69.29 -14.36 62.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.141 -176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.675 ' HG3' HD23 ' A' ' 69' ' ' LEU . 37.1 ttpt -80.81 73.3 7.8 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.632 0.73 . . . . 0.0 109.17 175.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -99.11 -75.72 0.56 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.725 -1.125 . . . . 0.0 110.079 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -131.36 -48.95 0.99 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.914 176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -73.93 82.29 1.69 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.457 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.675 HD23 ' HG3' ' A' ' 65' ' ' LYS . 22.9 tp -178.03 -70.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.348 176.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -93.63 -26.29 17.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.452 . . . . 0.0 110.121 177.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.05 30.12 10.45 Favored Glycine 0 N--CA 1.451 -0.359 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.487 ' OD1' ' HB3' ' A' ' 76' ' ' ARG . 8.7 t-20 -161.28 -171.55 3.06 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.543 ' O ' HG23 ' A' ' 77' ' ' VAL . 99.3 m-85 -111.5 139.93 46.52 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -56.74 -41.7 77.97 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.323 0.389 . . . . 0.0 110.982 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.0 p -58.97 -43.45 91.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.834 178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.55 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 12.5 tpt180 -69.65 -40.58 76.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.159 -178.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 73' ' ' PHE . 96.1 t -59.74 -44.94 94.9 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 93.1 mt -60.73 -42.71 93.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.732 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.11 -37.54 87.83 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.5 mt -59.92 -50.37 74.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.485 176.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -62.98 -43.32 99.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.513 179.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.479 ' HD2' ' O ' ' A' ' 88' ' ' ARG . 1.3 t80 -57.84 -48.99 78.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.546 -179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -77.4 -19.92 55.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.264 -0.426 . . . . 0.0 112.103 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -94.98 -30.59 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.744 -0.382 . . . . 0.0 111.424 -177.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 63.9 mt -101.89 -27.21 13.12 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -176.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.9 mt -112.31 -12.41 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.95 0.405 . . . . 0.0 110.711 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.76 14.82 81.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.063 -0.589 . . . . 0.0 113.372 175.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.479 ' O ' ' HD2' ' A' ' 82' ' ' TYR . 42.7 ttm180 -145.94 156.16 43.33 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.185 -0.302 . . . . 0.0 110.185 -177.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -93.54 155.17 40.97 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.769 -0.196 . . . . 0.0 110.694 178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.05 157.1 14.16 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.982 2.455 . . . . 0.0 112.712 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -98.5 -34.88 10.44 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.545 -175.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -142.51 168.38 19.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.788 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HG2' HG12 ' A' ' 97' ' ' ILE . 32.9 tt0 -58.85 -27.16 64.87 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.805 0.442 . . . . 0.0 110.822 177.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.5 m -56.67 -41.76 77.83 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -174.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.57 -43.27 99.17 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.905 0.383 . . . . 0.0 110.417 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.5 t -64.59 -46.13 93.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.081 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.47 HG12 ' HG2' ' A' ' 93' ' ' GLU . 46.5 mm -61.16 -40.41 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.016 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -60.38 -44.42 95.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -72.39 -30.92 65.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.998 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 77.4 mt -63.03 -44.9 94.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.932 0.396 . . . . 0.0 110.35 174.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -63.21 -40.68 98.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.875 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.09 -40.79 96.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.985 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -62.68 -31.54 72.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.838 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -80.4 -33.02 37.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.944 177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -73.13 -55.29 6.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.911 0.386 . . . . 0.0 111.257 -179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -120.21 -37.64 3.04 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.539 -174.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.98 -162.47 16.77 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.0 -1.095 . . . . 0.0 113.499 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -74.72 -33.0 62.3 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.965 0.506 . . . . 0.0 110.724 -174.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.418 ' CG ' ' HZ3' ' A' ' 60' ' ' LYS . 8.1 t70 -60.04 -46.27 90.08 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.419 0.628 . . . . 0.0 110.383 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.15 -31.74 68.08 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.896 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -54.59 -48.59 71.96 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 76.7 mt -58.93 -49.71 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.722 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.58 ' HA ' HD12 ' A' ' 116' ' ' ILE . 0.9 OUTLIER -58.07 -23.08 53.18 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -177.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.5 m -66.1 -34.04 77.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.725 -179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -76.92 -10.19 59.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.852 0.358 . . . . 0.0 110.848 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 113' ' ' ASP . 31.6 mt -92.66 -57.82 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.345 -174.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -75.61 -8.7 57.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.172 -172.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.4 t -50.09 109.63 1.36 Allowed Pre-proline 0 C--O 1.236 0.35 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.887 177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.22 -53.79 1.04 Allowed 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.054 2.503 . . . . 0.0 113.664 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -34.67 73.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.684 0.278 . . . . 0.0 110.962 -172.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.415 ' O ' ' HB3' ' A' ' 125' ' ' PHE . 37.7 m-85 -70.26 -40.95 74.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.75 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.57 HG23 ' HD2' ' A' ' 52' ' ' ARG . 99.4 m -61.82 -51.85 66.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.771 0.32 . . . . 0.0 111.165 179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -68.92 -43.98 74.06 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -175.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.4 t -80.53 -47.81 13.68 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -174.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 84.0 t80 -83.91 -39.19 20.13 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -172.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.594 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 159.23 127.7 0.93 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 119.643 -1.265 . . . . 0.0 113.441 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.36 -51.14 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.06 0.457 . . . . 0.0 110.432 177.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -102.43 18.92 19.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.021 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.594 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 59.0 t -102.97 138.99 25.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.558 -177.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 58.8 t -85.03 125.21 71.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.516 177.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.438 ' HA ' ' CE2' ' A' ' 125' ' ' PHE . 7.1 Cg_endo -49.39 110.86 0.4 Allowed 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.714 2.943 . . . . 0.0 113.755 -176.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 56.0 p90 -106.35 167.16 10.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.512 175.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -65.75 100.9 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 0.0 110.467 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -97.67 90.57 5.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.843 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -70.81 117.59 7.07 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.785 -0.722 . . . . 0.0 111.877 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 63.0 tp -89.0 106.26 18.32 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 137' ' ' GLU . 1.2 pm0 -77.03 117.35 18.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.491 0.662 . . . . 0.0 111.064 -176.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -55.55 132.63 49.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.88 -1.055 . . . . 0.0 110.599 176.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -131.16 158.79 39.54 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -100.11 84.11 2.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.378 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 53.13 -95.76 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.458 -174.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -159.5 20.73 0.18 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 175.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 . . . . . 0 C--O 1.244 0.812 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.777 178.701 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 110.472 -0.196 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.533 ' HA ' ' CE1' ' A' ' 132' ' ' TYR . 9.3 Cg_exo -70.39 116.13 4.49 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 122.572 2.181 . . . . 0.0 110.658 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.8 t -69.48 98.94 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.895 0.378 . . . . 0.0 110.299 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 13.1 pt-20 -117.27 153.2 33.34 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.261 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.516 HD13 HG21 ' A' ' 17' ' ' VAL . 12.3 tp -119.89 99.29 6.54 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.505 ' O ' ' HE3' ' A' ' 9' ' ' TRP . 20.7 ptt180 -84.66 162.19 19.81 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.077 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.3 36.46 0.1 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 -166.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -168.97 77.26 0.11 Allowed 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 172.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.505 ' HE3' ' O ' ' A' ' 6' ' ' ARG . 12.9 p90 -111.14 166.38 11.12 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.764 -169.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -98.23 159.03 15.2 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 169.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.17 -24.73 65.91 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.106 0.479 . . . . 0.0 110.351 -178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -64.49 -38.51 91.27 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.919 173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -67.75 -39.78 84.18 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.383 176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.75 ' HG ' ' HG3' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -59.12 -47.22 86.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.538 176.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.43 -39.04 78.73 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.3 m -59.98 -44.72 94.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.377 176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.516 HG21 HD13 ' A' ' 5' ' ' LEU . 72.2 t -61.42 -47.79 91.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.579 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.456 ' O ' ' HD1' ' A' ' 22' ' ' TYR . 92.2 mt -55.13 -51.93 49.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.885 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 mtp180 -63.1 -27.21 69.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.482 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.04 -36.45 56.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.648 0.261 . . . . 0.0 111.085 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 17' ' ' VAL . 88.8 t -72.47 -48.42 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.722 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' HD1' ' O ' ' A' ' 18' ' ' ILE . 87.4 m-85 -73.66 -25.65 60.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 61.4 32.47 19.01 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.653 0.74 . . . . 0.0 110.143 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -78.86 79.64 5.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.142 -175.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 p -93.39 -18.33 7.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.724 0.773 . . . . 0.0 109.043 172.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 26' ' ' LEU . 2.5 tm? -173.07 -44.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.191 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.51 -95.5 2.05 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.787 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -152.84 151.56 30.56 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -81.91 47.92 1.16 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.492 0.663 . . . . 0.0 110.664 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -138.02 168.26 20.08 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.302 -0.863 . . . . 0.0 108.706 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 ' C ' ' H ' ' A' ' 33' ' ' ALA . 21.3 t -59.46 -76.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.303 0 O-C-N 123.076 0.235 . . . . 0.0 110.74 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.4 ttp 72.5 -32.4 0.25 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.42 0.688 . . . . 0.0 112.169 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.426 ' H ' ' C ' ' A' ' 31' ' ' VAL . . . 71.97 161.96 0.25 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 123.661 0.784 . . . . 0.0 111.578 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.4 m -93.95 132.74 38.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.957 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.637 ' HG3' ' HG ' ' A' ' 37' ' ' LEU . 10.0 tp10 -82.13 156.15 24.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.203 0.525 . . . . 0.0 110.506 -174.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.36 33.76 0.98 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.07 -173.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.637 ' HG ' ' HG3' ' A' ' 35' ' ' GLU . 81.2 mt -85.16 8.64 17.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.866 0.365 . . . . 0.0 110.809 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.6 p -59.01 -25.34 29.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.929 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.428 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 22.5 m -60.3 -48.28 82.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.913 0.387 . . . . 0.0 110.387 175.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.5 89.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.231 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -59.13 -41.15 87.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.924 176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.9 m -68.79 -42.8 76.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.982 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.465 HD22 ' HD2' ' A' ' 48' ' ' LYS . 95.6 mt -61.34 -37.65 84.08 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.996 0.427 . . . . 0.0 110.625 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.4 tp -72.51 -40.14 67.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.584 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.75 ' HG3' ' HG ' ' A' ' 14' ' ' LEU . 25.4 ttp180 -69.67 -33.35 72.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.339 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -80.27 -23.43 40.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.045 0.45 . . . . 0.0 110.476 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.68 54.28 1.45 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.532 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.465 ' HD2' HD22 ' A' ' 43' ' ' LEU . 24.7 ttmm -116.25 -47.56 2.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.914 0.388 . . . . 0.0 110.609 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 40.5 pt -106.3 161.92 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.415 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.1 p -87.04 174.51 8.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.462 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 55' ' ' VAL . 83.9 t -65.89 -36.67 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 1.001 ' HD3' HG21 ' A' ' 122' ' ' THR . 5.3 ttp180 -60.31 -41.87 94.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.825 176.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 12.1 mm-40 -62.82 -38.32 90.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.019 0.438 . . . . 0.0 110.772 177.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -66.33 -50.7 62.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.304 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 51' ' ' VAL . 84.7 t -58.66 -43.09 86.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.692 178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.501 ' HB2' HG21 ' A' ' 116' ' ' ILE . 20.9 ttt180 -52.29 -53.52 43.13 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.847 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.53 56.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.063 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.3 t -61.61 -35.06 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.609 -176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.41 79.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -176.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -99.9 10.81 40.69 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.489 -0.484 . . . . 0.0 112.206 -175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.3 p -98.11 -24.62 15.23 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.967 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -76.76 170.31 16.7 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.34 -0.544 . . . . 0.0 110.068 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.57 75.21 2.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.196 0.522 . . . . 0.0 110.942 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.716 ' HA ' ' HD2' ' A' ' 68' ' ' PHE . 48.4 p90 -62.35 -25.06 67.7 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.398 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.3 tptm -80.51 -6.72 58.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.243 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -122.99 -59.57 1.58 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.943 -178.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.27 -40.81 96.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.678 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.716 ' HD2' ' HA ' ' A' ' 64' ' ' TYR . 83.6 m-85 -94.3 -59.18 2.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 111.573 -178.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.3 tp -70.68 -21.49 62.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.895 -167.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -113.07 105.34 13.35 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.552 -0.459 . . . . 0.0 110.908 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 164.98 -62.86 0.24 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.529 177.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -125.81 -166.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -175.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 77' ' ' VAL . 94.0 m-85 -70.57 146.45 50.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.803 0.335 . . . . 0.0 111.356 -175.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -52.09 -39.52 59.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.759 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.511 HG23 HG11 ' A' ' 96' ' ' VAL . 6.0 m -58.33 -40.61 82.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.275 0.56 . . . . 0.0 111.013 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 13.8 mmm-85 -79.42 -23.6 43.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.055 -176.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 73' ' ' PHE . 84.1 t -63.51 -37.04 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.359 0.599 . . . . 0.0 109.515 173.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.497 HD12 HG13 ' A' ' 96' ' ' VAL . 77.3 mt -64.0 -43.55 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.074 174.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -57.5 -36.51 71.6 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.455 175.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 86.0 mt -63.71 -46.73 84.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.889 -177.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -76.84 -28.21 55.4 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.968 -177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' CE1' HD12 ' A' ' 86' ' ' LEU . 0.3 OUTLIER -65.09 -45.78 83.78 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.018 0.437 . . . . 0.0 109.975 178.496 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -78.7 -17.77 55.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.452 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.409 ' CD2' ' HZ ' ' A' ' 68' ' ' PHE . 60.7 t-80 -74.73 -30.6 61.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 0.0 109.952 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.661 HD11 HG23 ' A' ' 112' ' ' ILE . 76.8 mt -101.02 -51.18 3.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.161 -175.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.705 ' HA ' ' HB2' ' A' ' 131' ' ' PRO . 38.6 mt -112.02 -3.38 14.79 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -171.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.97 31.35 76.08 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.824 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -130.13 148.14 51.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.669 0.388 . . . . 0.0 110.252 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.25 153.57 37.98 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.35 119.73 6.84 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 122.623 2.215 . . . . 0.0 111.788 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -74.96 -41.64 59.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.131 0.491 . . . . 0.0 110.399 -175.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -126.97 -179.83 5.04 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.329 178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' O ' HG13 ' A' ' 97' ' ' ILE . 40.7 tt0 -87.28 -18.54 29.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.551 -176.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.0 m -66.14 -36.85 84.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.222 179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.67 -38.34 81.24 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.219 0.533 . . . . 0.0 110.117 173.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.511 HG11 HG23 ' A' ' 75' ' ' THR . 99.8 t -66.24 -51.08 63.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.203 177.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 93' ' ' GLU . 85.6 mt -54.77 -44.53 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.109 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -58.5 -42.03 86.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.969 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -74.26 -33.92 63.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.456 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.538 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 95.3 mt -59.62 -49.63 76.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.0 110.215 175.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.89 -37.5 84.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.639 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 111' ' ' ASP . 21.3 tp -62.08 -44.68 96.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.662 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.99 -44.74 96.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.002 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 45.2 mt-10 -59.14 -47.86 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.398 . . . . 0.0 111.371 -177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -89.93 -51.65 5.38 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.18 -172.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -92.22 -35.95 13.53 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -171.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 113.61 174.63 18.91 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.011 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -78.04 -29.92 49.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.129 0.49 . . . . 0.0 109.916 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 7.5 p-10 -63.05 -38.2 90.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.203 177.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.87 -25.4 32.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.301 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.54 ' HA ' HD23 ' A' ' 102' ' ' LEU . 25.3 t70 -60.42 -47.6 85.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.712 176.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.661 HG23 HD11 ' A' ' 85' ' ' LEU . 43.9 mt -70.72 -35.23 59.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.704 174.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.437 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 7.4 t70 -66.1 -30.97 71.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.571 -174.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.2 p -55.01 -33.28 62.47 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.701 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.463 ' HD2' HD11 ' A' ' 86' ' ' LEU . 80.3 m-85 -68.2 -55.14 13.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.136 0.493 . . . . 0.0 110.046 178.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.501 HG21 ' HB2' ' A' ' 56' ' ' ARG . 48.3 mm -63.4 -33.9 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.093 -176.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.88 -5.95 50.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.211 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 27.5 t -95.52 104.68 16.64 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.877 0.37 . . . . 0.0 110.452 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 30.7 Cg_endo -63.63 -48.9 4.91 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.874 2.382 . . . . 0.0 112.812 -175.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -64.3 -54.6 30.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.508 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -69.27 -22.41 63.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.85 -173.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 1.001 HG21 ' HD3' ' A' ' 52' ' ' ARG . 68.8 m -80.29 -40.29 27.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.209 172.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -66.43 -35.89 81.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.976 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.8 p -66.39 -29.57 69.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.562 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.414 ' CE1' ' HA ' ' A' ' 131' ' ' PRO . 1.2 t80 -91.87 -38.76 12.13 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.928 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 146.23 118.46 1.13 Allowed Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.712 178.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -82.5 -29.29 30.58 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 175.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -111.4 16.06 21.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.233 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.928 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 60.8 t -119.03 139.94 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.781 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.436 ' CG2' HG13 ' A' ' 17' ' ' VAL . 61.3 t -84.46 115.85 62.36 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.451 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.705 ' HB2' ' HA ' ' A' ' 86' ' ' LEU . 6.7 Cg_exo -73.61 93.42 0.85 Allowed 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 122.742 2.295 . . . . 0.0 111.971 179.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 2' ' ' PRO . 27.0 p90 -92.92 178.29 5.81 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.202 179.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -57.5 130.73 47.61 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.85 0.357 . . . . 0.0 110.427 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 134' ' ' ARG . 46.1 mtp180 -77.8 46.11 0.55 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.997 0.427 . . . . 0.0 111.586 -175.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.68 26.87 40.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.997 -0.62 . . . . 0.0 112.331 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 63.1 tp -122.82 91.78 3.57 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.821 0.343 . . . . 0.0 110.522 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -165.05 112.51 1.0 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.885 179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 31.5 m170 -85.2 107.02 17.06 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 175.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -50.85 -34.64 28.76 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.194 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -122.12 128.63 51.53 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -131.84 175.62 9.05 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.86 -175.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -66.73 -74.46 0.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.709 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.7 m80 . . . . . 0 C--O 1.248 1.02 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.885 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 1.6 mpt? . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 110.616 -0.142 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.517 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 83.6 Cg_endo -77.24 178.83 7.14 Favored 'Trans proline' 0 C--N 1.352 0.721 0 C-N-CA 121.896 1.731 . . . . 0.0 110.529 170.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 17' ' ' VAL . 21.1 t -67.35 98.8 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.375 -0.53 . . . . 0.0 110.041 177.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' OE2' ' HD2' ' A' ' 2' ' ' PRO . 12.3 pt-20 -135.63 137.29 41.73 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.844 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.5 tp -93.16 117.36 29.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -89.52 169.42 11.37 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.053 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.84 -54.76 42.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.433 177.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.02 76.69 6.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.975 174.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 56.9 p-90 -82.83 168.36 17.2 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.77 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.428 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 22.3 p -128.4 177.42 6.98 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.095 177.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -61.8 -53.12 60.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -173.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.56 -32.35 62.39 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -177.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' HB3' ' H ' ' A' ' 10' ' ' SER . 36.4 t70 -62.02 -50.72 70.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.972 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 45' ' ' ARG . 54.3 tp -61.37 -44.41 97.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.956 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.27 -35.22 80.34 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.638 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -64.3 -37.65 88.23 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.899 0.38 . . . . 0.0 110.291 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.501 HG13 ' CG2' ' A' ' 130' ' ' VAL . 63.3 t -61.24 -52.88 56.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.27 174.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.491 HD13 ' HG2' ' A' ' 41' ' ' GLU . 76.1 mt -60.05 -44.28 94.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.92 179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -59.97 -35.9 75.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.166 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.69 -39.24 73.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.185 -178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.43 -43.82 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.568 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -74.39 -59.93 2.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.665 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 66.57 11.59 8.21 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.934 0.873 . . . . 0.0 109.352 -170.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.7 tp60 -89.96 97.03 10.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.859 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.4 t -77.19 -32.78 19.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.922 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.454 ' N ' HD12 ' A' ' 26' ' ' LEU . 4.9 mp -81.45 90.5 6.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.17 -178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.59 -24.13 29.13 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.217 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 57.8 61.43 2.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.478 0.656 . . . . 0.0 110.084 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -64.72 95.86 0.16 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.117 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -178.53 -42.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.695 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.7 p -139.66 152.49 22.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.76 -175.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -70.34 -165.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.34 176.833 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 32' ' ' MET . . . 76.58 -42.36 0.43 Allowed 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.702 0.801 . . . . 0.0 110.599 -175.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -67.39 -42.83 82.71 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 170.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -95.99 113.58 25.21 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.396 174.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -138.22 10.95 2.8 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.794 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.489 HD21 ' CB ' ' A' ' 61' ' ' SER . 66.7 mt -122.3 10.72 9.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.856 0.36 . . . . 0.0 110.851 -177.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.3 p -57.69 -27.11 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.711 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.609 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.5 m -60.39 -48.56 81.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.187 175.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HA ' HD12 ' A' ' 43' ' ' LEU . . . -67.5 -37.74 83.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.491 ' HG2' HD13 ' A' ' 18' ' ' ILE . 1.1 tm-20 -59.69 -45.02 93.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.965 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 m -65.6 -30.4 71.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.847 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.0 mt -66.72 -44.75 80.75 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.517 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -76.07 -34.38 59.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.567 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.55 ' HA ' HD21 ' A' ' 14' ' ' LEU . 39.1 ttp180 -66.28 -35.72 81.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.323 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -76.25 -31.89 58.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.949 174.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.98 30.81 16.38 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.437 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.462 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 19.6 ptpt -96.76 -5.09 39.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.135 0.493 . . . . 0.0 110.88 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 39.1 pt -131.7 165.54 31.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.9 p -95.47 172.38 8.11 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 176.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 55' ' ' VAL . 96.5 t -68.11 -30.83 49.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.693 ' HG3' HG21 ' A' ' 122' ' ' THR . 12.1 ttm180 -54.07 -51.37 64.31 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.143 176.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 tp10 -66.69 -40.7 88.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.48 -178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' HZ ' HG23 ' A' ' 18' ' ' ILE . 83.6 t80 -58.64 -50.14 74.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.059 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 51' ' ' VAL . 63.8 t -60.57 -41.31 87.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.82 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.561 ' HB2' HG21 ' A' ' 116' ' ' ILE . 2.7 ttt180 -59.69 -49.72 76.64 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.216 177.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.84 82.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.015 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 54' ' ' PHE . 93.7 t -66.72 -49.63 72.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.255 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.87 -29.86 69.8 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -173.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -93.11 8.91 38.11 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.992 0.368 . . . . 0.0 111.992 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.489 ' CB ' HD21 ' A' ' 37' ' ' LEU . 74.1 m -115.61 85.2 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -170.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 69.48 -64.2 0.35 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 156.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.1 mt -42.4 113.09 0.41 Allowed 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -164.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 61.69 23.18 13.55 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.461 172.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.701 ' HG2' ' HB3' ' A' ' 69' ' ' LEU . 78.2 tttt 63.65 79.49 0.26 Allowed 'General case' 0 CA--C 1.519 -0.218 0 O-C-N 123.733 0.645 . . . . 0.0 109.869 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 57.21 43.05 24.46 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.56 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.7 tttp 73.91 -48.53 0.67 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.211 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -172.19 83.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.375 0.607 . . . . 0.0 110.879 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.701 ' HB3' ' HG2' ' A' ' 65' ' ' LYS . 45.6 tp -91.74 129.47 37.71 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.993 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.575 ' CD2' ' HG ' ' A' ' 69' ' ' LEU . 90.3 m-85 68.7 -175.69 0.2 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.775 0.672 . . . . 0.0 111.238 -176.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.75 -24.37 5.78 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.367 178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -166.61 -60.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.886 0.374 . . . . 0.0 110.66 -177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.427 ' HD2' ' OG1' ' A' ' 75' ' ' THR . 0.2 OUTLIER -149.9 144.71 26.09 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -178.128 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -67.12 -25.87 66.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.216 0.531 . . . . 0.0 110.483 -175.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.427 ' OG1' ' HD2' ' A' ' 73' ' ' PHE . 21.5 p -62.72 -34.76 77.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.71 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -65.93 -32.88 74.63 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.96 0.409 . . . . 0.0 110.534 -179.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.4 -43.4 97.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.632 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.449 HD12 HG13 ' A' ' 96' ' ' VAL . 59.8 mt -64.38 -35.5 74.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.217 176.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -60.25 -50.24 74.44 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.721 0.296 . . . . 0.0 110.27 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.24 -45.7 90.36 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.497 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.448 ' OD1' HD12 ' A' ' 85' ' ' LEU . 54.5 t-20 -57.18 -59.83 4.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.414 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.485 ' HD1' ' O ' ' A' ' 88' ' ' ARG . 3.2 t80 -57.14 -48.18 79.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.184 -176.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 88' ' ' ARG . 36.9 ttmt -71.39 -30.83 66.57 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.071 -171.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -91.49 -29.21 17.13 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.672 -175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.486 HD11 HG23 ' A' ' 112' ' ' ILE . 39.5 mt -90.35 -28.4 18.74 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.825 -176.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.4 mt -110.96 -19.69 12.7 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.48 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.02 15.1 81.62 Favored Glycine 0 C--N 1.329 0.148 0 C-N-CA 120.478 -0.867 . . . . 0.0 111.398 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.508 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 8.2 ttt180 -128.09 150.87 49.77 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 -177.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB2' ' HE2' ' A' ' 83' ' ' LYS . . . -101.45 148.74 35.63 Favored Pre-proline 0 C--N 1.321 -0.665 0 C-N-CA 121.056 -0.258 . . . . 0.0 110.749 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -48.79 117.91 3.06 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.834 2.356 . . . . 0.0 111.701 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -105.24 -34.49 7.88 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.958 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -127.39 151.31 48.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.911 0.386 . . . . 0.0 110.822 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.13 -35.68 81.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.521 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.3 t -63.38 -30.25 71.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.745 -0.207 . . . . 0.0 110.778 -176.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 46.3 mt-10 -61.74 -46.61 88.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.301 0.572 . . . . 0.0 109.546 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.449 HG13 HD12 ' A' ' 78' ' ' ILE . 58.7 t -65.15 -50.37 74.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.812 -179.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 49.7 mm -59.5 -44.14 92.27 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.37 -176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -61.24 -41.3 96.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.941 0.401 . . . . 0.0 110.972 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 69.1 m-70 -76.11 -28.98 57.71 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.519 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 91.9 mt -60.58 -40.38 91.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.247 0.546 . . . . 0.0 109.753 172.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -66.33 -48.84 68.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.424 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 111' ' ' ASP . 44.5 tp -59.35 -44.98 92.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.977 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -58.14 -55.75 30.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.152 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -76.16 -18.57 59.05 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -171.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -93.9 -45.46 7.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -105.09 -35.85 7.48 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.3 -0.56 . . . . 0.0 112.402 -176.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.44 164.42 9.94 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.077 -1.059 . . . . 0.0 113.109 177.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -58.05 -48.82 78.95 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 0.0 OUTLIER -74.94 -24.59 58.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.319 -174.535 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.36 82.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.118 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.468 ' HA ' ' CD2' ' A' ' 102' ' ' LEU . 31.3 t70 -69.0 -54.11 16.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.067 175.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.486 HG23 HD11 ' A' ' 85' ' ' LEU . 78.2 mt -52.26 -32.87 16.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-O 121.52 0.676 . . . . 0.0 110.776 177.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 18.0 t70 -63.26 -38.87 92.87 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.501 -177.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.2 p -63.22 -27.71 69.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.654 0.264 . . . . 0.0 111.699 -174.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -68.5 -48.17 65.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.887 0.375 . . . . 0.0 110.294 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.561 HG21 ' HB2' ' A' ' 56' ' ' ARG . 51.1 mm -74.61 -25.34 19.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.613 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -75.54 -19.48 59.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.502 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.9 p -61.81 108.1 1.43 Allowed Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 121.155 0.502 . . . . 0.0 111.197 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -68.74 -55.23 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.218 1.945 . . . . 0.0 112.685 -175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.3 -54.65 42.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.77 -176.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -65.38 -51.75 58.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.137 -175.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.693 HG21 ' HG3' ' A' ' 52' ' ' ARG . 88.4 m -61.45 -49.9 74.96 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.34 -28.39 67.11 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.272 -174.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.9 t -84.69 -37.06 21.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.625 0.25 . . . . 0.0 110.945 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -75.13 -38.47 61.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.369 . . . . 0.0 110.454 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.783 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 153.0 120.88 0.84 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -91.38 -26.48 18.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.625 0.726 . . . . 0.0 109.232 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -111.45 6.83 20.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.783 173.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.783 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 60.2 t -103.27 140.58 21.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.645 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.501 ' CG2' HG13 ' A' ' 17' ' ' VAL . 94.4 t -81.91 130.58 60.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.457 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.87 93.88 0.08 OUTLIER 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.916 2.411 . . . . 0.0 112.376 176.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -101.37 154.33 18.89 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.551 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.4 112.71 1.85 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -72.43 -72.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.315 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 70.29 -92.46 0.41 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 121.198 -0.525 . . . . 0.0 113.006 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 59.2 tp -115.42 128.89 56.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.768 0.318 . . . . 0.0 110.332 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -71.44 104.8 3.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.868 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -114.2 100.37 8.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 -145.59 169.78 17.73 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.868 -173.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -106.75 130.6 54.44 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 174.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -44.53 119.56 1.92 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.945 0.778 . . . . 0.0 111.713 178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -96.73 178.39 5.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.08 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.537 -0.744 . . . . 0.0 109.776 177.386 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -80.16 176.04 9.71 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.654 2.236 . . . . 0.0 111.818 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.4 t -78.44 121.52 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -139.93 141.67 36.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.843 -173.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 9' ' ' TRP . 64.8 tp -98.84 113.7 25.94 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 172.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -123.08 -168.67 1.8 Allowed 'General case' 0 C--N 1.316 -0.89 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.523 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 9' ' ' TRP . . . -67.13 -6.8 19.13 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.59 -177.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -85.25 33.48 0.55 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.57 ' CD1' HD11 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -49.37 112.07 0.58 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.345 -178.377 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.418 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 43.4 t -144.76 173.01 12.21 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.425 -176.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -57.13 -50.29 73.25 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -62.44 -50.59 70.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.988 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' O ' HG23 ' A' ' 17' ' ' VAL . 3.6 t70 -56.07 -59.81 4.38 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.804 -176.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD21 ' HG3' ' A' ' 45' ' ' ARG . 40.5 tp -60.41 -49.31 78.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.831 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -63.07 -40.41 97.61 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.737 -174.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.1 m -59.23 -40.42 85.81 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.952 0.406 . . . . 0.0 110.427 177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 5' ' ' LEU . 96.4 t -64.97 -52.11 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.738 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.99 -44.62 98.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.048 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.519 ' HB3' ' HA ' ' A' ' 24' ' ' GLN . 20.4 mtp180 -65.64 -35.85 81.98 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.65 -29.44 70.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.118 0.485 . . . . 0.0 110.799 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 17' ' ' VAL . 87.1 t -73.44 -37.99 52.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.914 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -102.2 -87.84 0.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.207 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' HB3' ' HB2' ' A' ' 26' ' ' LEU . 85.4 mtt180 -135.81 107.56 7.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.519 ' HA ' ' HB3' ' A' ' 19' ' ' ARG . 33.1 tt0 -65.71 -81.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.521 -172.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 t -109.04 48.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.753 0.787 . . . . 0.0 109.696 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 3.1 mm? -122.5 117.12 25.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.799 178.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.4 172.47 30.36 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.408 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -138.5 142.3 39.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.19 -65.14 0.73 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.06 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -92.68 70.2 4.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.882 0.372 . . . . 0.0 110.415 179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.6 p -70.18 -49.02 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.657 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 66.9 mtm 63.44 -75.97 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 123.285 0.634 . . . . 0.0 111.619 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -139.95 -40.84 0.44 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.501 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.0 p 49.42 70.7 0.45 Allowed 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.648 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -78.73 103.96 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.896 177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.76 ' HD3' ' H ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -105.68 90.08 3.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.578 -176.638 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD12 HG22 ' A' ' 58' ' ' VAL . 91.0 mt 53.07 53.5 11.88 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.408 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.6 m -61.23 -25.89 37.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.19 -172.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.1 p -64.23 -48.74 74.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.236 0.541 . . . . 0.0 110.083 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.69 -40.34 69.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.707 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -64.84 -33.8 76.87 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.506 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.1 m -62.44 -44.32 96.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 0.0 110.273 174.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.453 ' HB3' HG23 ' A' ' 49' ' ' ILE . 95.9 mt -57.16 -33.25 67.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.84 178.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 tp -84.12 -49.02 9.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.982 0.42 . . . . 0.0 111.405 178.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.461 ' HG3' HD21 ' A' ' 14' ' ' LEU . 48.9 ttm-85 -70.65 -22.99 62.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.679 -173.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -94.62 -0.04 54.77 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.61 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.93 54.12 4.63 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 114.197 172.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -116.44 -48.72 2.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 117.199 0.499 . . . . 0.0 112.048 175.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 43' ' ' LEU . 49.1 pt -103.0 172.74 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.233 0.539 . . . . 0.0 112.221 -172.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.651 ' HB ' ' OD1' ' A' ' 127' ' ' ASP . 30.4 p -93.9 179.43 5.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.815 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.569 ' HB ' ' HA ' ' A' ' 128' ' ' TRP . 80.2 t -77.55 -38.75 26.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 121.161 -0.216 . . . . 0.0 110.864 -178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.552 ' HD3' HG21 ' A' ' 122' ' ' THR . 15.3 ptt180 -62.72 -30.91 71.77 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.151 176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -68.24 -41.96 80.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.241 0.543 . . . . 0.0 109.792 176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -61.92 -40.33 95.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.749 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.7 -44.27 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.506 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.619 ' HD2' ' OD1' ' A' ' 113' ' ' ASP . 16.1 ttp180 -58.28 -42.8 87.34 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.356 0.41 . . . . 0.0 111.131 -178.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.52 -50.63 73.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.954 0.407 . . . . 0.0 110.813 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.447 HG22 HD12 ' A' ' 37' ' ' LEU . 12.1 t -73.96 -17.87 17.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.931 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.59 -11.05 49.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.185 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -114.57 10.7 16.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.16 0.505 . . . . 0.0 110.812 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.8 p -160.26 171.66 18.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.35 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.484 ' C ' ' H ' ' A' ' 64' ' ' TYR . 35.3 mm-40 65.24 176.74 0.2 Allowed 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.585 0.553 . . . . 0.0 111.316 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.811 ' HB3' ' HE1' ' A' ' 68' ' ' PHE . 5.0 tt 72.18 -19.43 0.28 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.493 0.717 . . . . 0.0 111.036 177.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.484 ' H ' ' C ' ' A' ' 62' ' ' GLU . 37.8 m-85 81.34 -177.15 0.06 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.349 1.06 . . . . 0.0 111.693 174.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.515 ' HE2' ' HB2' ' A' ' 69' ' ' LEU . 12.2 mmmm 71.89 -13.05 0.61 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.547 0.739 . . . . 0.0 111.662 -176.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' H ' ' C ' ' A' ' 64' ' ' TYR . 48.4 mt-10 66.94 -71.82 0.09 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.668 0.787 . . . . 0.0 111.619 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.6 ' HD3' ' HE1' ' A' ' 103' ' ' TYR . 96.1 mttt -86.87 12.65 10.54 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.811 ' HE1' ' HB3' ' A' ' 63' ' ' LEU . 95.3 m-85 56.42 44.58 24.18 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.229 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.515 ' HB2' ' HE2' ' A' ' 65' ' ' LYS . 2.7 mm? -61.11 131.03 49.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.695 -1.139 . . . . 0.0 111.256 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.854 ' H ' HG22 ' A' ' 77' ' ' VAL . 91.3 t80 -85.31 -31.09 23.22 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.165 0.507 . . . . 0.0 109.656 172.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 155.41 -147.39 16.22 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.802 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.68 -42.81 89.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.812 0.339 . . . . 0.0 111.483 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 77' ' ' VAL . 82.9 m-85 -80.21 99.36 7.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.944 -177.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -65.67 -25.91 67.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.126 0.489 . . . . 0.0 110.849 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.413 ' O ' ' HB ' ' A' ' 78' ' ' ILE . 0.9 OUTLIER -60.41 -44.18 95.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.065 176.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -73.11 -21.21 60.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.045 0.45 . . . . 0.0 110.15 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.854 HG22 ' H ' ' A' ' 70' ' ' TYR . 33.0 t -67.05 -29.82 47.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 173.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.451 HG21 ' HA ' ' A' ' 96' ' ' VAL . 51.1 mm -66.24 -54.04 30.59 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.145 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.831 175.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -52.71 -41.08 63.61 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.274 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.446 HD12 ' HB2' ' A' ' 70' ' ' TYR . 4.1 tt -52.48 -59.43 4.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.129 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.894 ' HA ' ' HB3' ' A' ' 84' ' ' HIS . 56.6 m-80 -81.17 -20.91 40.23 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CZ ' ' HA ' ' A' ' 90' ' ' PRO . 1.9 t80 -63.88 -41.61 97.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 172.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . 36.3 ttmt -83.11 -14.77 52.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.225 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.894 ' HB3' ' HA ' ' A' ' 81' ' ' ASN . 11.5 t-160 -84.36 -44.09 14.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.819 -177.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.9 mt -104.28 -16.6 15.13 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 94.1 mt -117.81 -6.26 11.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 111.157 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 59.79 32.16 73.74 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.479 0.552 . . . . 0.0 114.479 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.772 HH21 ' HB2' ' A' ' 91' ' ' TYR . 0.0 OUTLIER -164.21 168.22 19.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 117.335 0.568 . . . . 0.0 111.184 177.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.91 156.96 82.2 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.27 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 82' ' ' TYR . 32.2 Cg_exo -59.02 117.43 4.16 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.932 2.421 . . . . 0.0 111.939 177.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.772 ' HB2' HH21 ' A' ' 88' ' ' ARG . 15.1 t80 -86.53 -29.25 22.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.284 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.436 ' HB3' ' HG2' ' A' ' 95' ' ' GLU . 18.8 t70 -117.94 138.93 51.83 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.095 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -76.35 -29.16 57.13 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.172 -176.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.8 t -70.52 -27.51 64.23 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.436 ' HG2' ' HB3' ' A' ' 92' ' ' ASP . 33.3 mm-40 -56.25 -45.29 80.11 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.834 0.349 . . . . 0.0 110.065 172.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.451 ' HA ' HG21 ' A' ' 78' ' ' ILE . 49.0 t -59.26 -49.15 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.036 177.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.2 mt -58.77 -50.15 80.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.207 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -57.61 -45.35 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.474 -179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -73.88 -27.28 60.99 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.811 -0.356 . . . . 0.0 111.285 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 49.4 mt -68.26 -47.55 67.44 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 171.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -59.73 -44.88 93.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.793 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 25.0 tp -64.45 -49.13 72.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.542 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.6 ' HE1' ' HD3' ' A' ' 67' ' ' LYS . 24.4 t80 -56.74 -45.14 82.15 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.629 178.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -64.71 -52.61 56.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.749 -179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -80.23 -58.88 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -171.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -94.81 -9.68 33.74 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.791 -171.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.4 164.78 29.59 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.723 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.464 ' CE2' ' HD2' ' A' ' 68' ' ' PHE . 54.6 t80 -76.37 -28.68 56.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.019 0.438 . . . . 0.0 110.362 -177.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -58.03 -44.78 87.53 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.968 177.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.32 -35.54 73.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.632 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -59.53 -45.41 91.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.155 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 40.3 mm -57.21 -43.76 82.36 Favored 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.131 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.619 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 78.3 m-20 -59.46 -32.4 70.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.104 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -62.08 -43.08 99.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.673 -177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -61.68 -48.08 82.41 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.257 0.551 . . . . 0.0 110.646 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.552 HG13 ' HB2' ' A' ' 56' ' ' ARG . 42.1 mm -71.64 -25.19 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.391 -174.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -79.62 -30.59 41.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.228 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.412 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 55.0 m -55.02 107.35 0.85 Allowed Pre-proline 0 CA--C 1.533 0.304 0 O-C-N 123.455 0.472 . . . . 0.0 112.067 -173.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 30.8 Cg_endo -65.33 -43.25 11.26 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.058 2.506 . . . . 0.0 113.024 -175.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -51.98 -56.28 15.22 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-O 121.144 0.497 . . . . 0.0 111.15 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -75.15 -38.02 61.11 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.437 -173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.552 HG21 ' HD3' ' A' ' 52' ' ' ARG . 88.3 m -66.43 -42.37 87.82 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.836 0.35 . . . . 0.0 111.194 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -74.89 -29.25 60.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.653 0.263 . . . . 0.0 111.392 -176.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.6 p -78.94 -37.74 38.93 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.262 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -84.71 -39.75 18.16 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.044 -0.263 . . . . 0.0 110.958 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.4 126.03 3.43 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.192 -178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.651 ' OD1' ' HB ' ' A' ' 50' ' ' THR . 15.6 t0 -64.05 -45.04 90.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.556 0.693 . . . . 0.0 110.353 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.569 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 79.8 m95 -94.19 17.59 12.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.89 -171.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.3 t -102.43 134.73 42.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.802 0.335 . . . . 0.0 110.852 -178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 77.5 t -77.33 125.67 86.03 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.937 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.633 ' HB3' ' HB2' ' A' ' 136' ' ' LEU . 73.2 Cg_exo -43.69 125.13 4.8 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 124.136 3.224 . . . . 0.0 114.843 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.495 ' HD1' ' O ' ' A' ' 133' ' ' TYR . 3.3 p90 -122.93 166.93 14.25 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 169.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.495 ' O ' ' HD1' ' A' ' 132' ' ' TYR . 41.7 t80 -67.12 137.02 56.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 48.7 ttt-85 77.76 17.36 1.37 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.84 0.856 . . . . 0.0 109.946 -172.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -140.18 -66.68 0.04 OUTLIER Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.138 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.633 ' HB2' ' HB3' ' A' ' 131' ' ' PRO . 90.7 mt -144.33 -43.05 0.25 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 68.33 151.38 0.08 Allowed 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.579 0.752 . . . . 0.0 111.874 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 131' ' ' PRO . 8.0 t-80 -164.71 21.28 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -65.82 160.99 21.92 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.322 0.582 . . . . 0.0 111.991 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -94.42 120.72 35.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.015 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -101.46 10.72 40.14 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.989 0.423 . . . . 0.0 110.357 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -113.99 112.97 24.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.005 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.9 p80 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.369 178.502 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.5 ttm . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.14 134.28 60.92 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.396 2.064 . . . . 0.0 111.59 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.2 t -69.71 117.39 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.392 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -140.46 158.85 43.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 tp -93.95 103.03 15.14 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 172.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -92.02 165.19 13.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.622 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.84 51.58 1.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.24 0.543 . . . . 0.0 110.963 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.1 t30 173.72 74.33 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -121.08 156.62 31.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.702 -174.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -122.61 -178.79 4.01 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.377 -0.828 . . . . 0.0 109.158 174.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -58.98 -38.87 80.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.738 0.304 . . . . 0.0 111.008 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.06 -44.66 95.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.371 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -64.36 -45.34 88.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.293 -178.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.644 ' O ' HG12 ' A' ' 18' ' ' ILE . 36.0 tp -63.87 -44.57 92.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.669 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.21 -36.97 76.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.074 0.464 . . . . 0.0 110.365 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.5 m -60.38 -39.9 88.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.095 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.8 t -68.25 -42.52 84.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.259 176.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.644 HG12 ' O ' ' A' ' 14' ' ' LEU . 40.5 mm -54.4 -59.03 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.228 0.537 . . . . 0.0 110.519 178.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -69.39 -23.05 63.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.977 -175.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.61 67.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.944 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 62.1 t -88.36 -40.52 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.534 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -76.0 -65.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 112.044 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 23' ' ' ARG . 20.7 mtp180 -110.75 65.49 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.48 -170.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -85.53 -64.13 1.21 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.313 0.578 . . . . 0.0 109.931 -178.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 p -130.24 143.68 40.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.274 -0.876 . . . . 0.0 108.927 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mp 58.96 40.03 22.93 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.916 0.389 . . . . 0.0 110.548 -175.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.07 44.67 2.4 Favored Glycine 0 C--N 1.333 0.409 0 C-N-CA 121.045 -0.598 . . . . 0.0 112.436 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -95.03 98.21 10.51 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.736 ' HB3' ' HA ' ' A' ' 32' ' ' MET . 5.5 m-20 -51.81 -56.56 13.21 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.092 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 66.23 -76.21 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 O-C-N 124.091 0.869 . . . . 0.0 110.844 177.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.34 -1.03 7.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.322 0.582 . . . . 0.0 109.803 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.736 ' HA ' ' HB3' ' A' ' 29' ' ' ASP . 66.7 mtt 72.97 110.98 0.07 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 114.82 -1.082 . . . . 0.0 112.049 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.78 87.05 7.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.1 m -80.67 -26.66 37.47 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.898 -172.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -86.7 93.49 9.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.233 0.54 . . . . 0.0 111.32 -175.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -82.58 143.04 31.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.775 172.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 61' ' ' SER . 6.9 mp -76.44 87.21 3.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.26 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.3 t -62.45 -32.99 56.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.815 179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.554 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 18.1 p -58.33 -57.57 12.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.401 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.35 98.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.459 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -59.49 -53.77 54.34 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.939 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.7 p -61.69 -38.77 89.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.69 0.281 . . . . 0.0 111.324 -176.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 39' ' ' SER . 98.8 mt -63.98 -35.95 82.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.076 179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.1 tp -82.92 -34.61 26.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.195 0.521 . . . . 0.0 110.437 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' HG3' ' CD2' ' A' ' 14' ' ' LEU . 34.9 ttt180 -68.58 -23.23 64.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.588 -175.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -98.57 -8.25 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.069 0.461 . . . . 0.0 110.043 176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.17 33.74 28.28 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.915 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.532 ' HD3' HD22 ' A' ' 43' ' ' LEU . 58.1 tttp -87.61 -39.75 14.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.912 0.387 . . . . 0.0 110.471 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 47.7 pt -111.46 176.59 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.267 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.28 -177.88 3.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.477 HG12 HG23 ' A' ' 55' ' ' VAL . 42.6 t -69.33 -26.83 32.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -51.76 -51.85 53.2 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.057 175.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -68.88 -41.02 78.89 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.653 0.263 . . . . 0.0 110.612 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -60.96 -47.74 85.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.236 -176.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.477 HG23 HG12 ' A' ' 51' ' ' VAL . 88.1 t -60.89 -47.16 94.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.762 -0.199 . . . . 0.0 110.481 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' HG3' HG13 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.52 -42.52 92.42 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.101 0.477 . . . . 0.0 110.345 178.714 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.69 -55.17 33.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.081 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.8 t -63.41 -36.63 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.07 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.72 71.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.392 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.587 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 49.3 mttp -94.47 -26.95 16.25 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.433 177.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.463 ' HA ' HD11 ' A' ' 37' ' ' LEU . 34.2 m 51.36 -112.03 0.6 Allowed 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -164.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -173.46 104.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.149 0.5 . . . . 0.0 110.247 168.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 63' ' ' LEU . 24.8 tp 57.41 25.4 11.29 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.29 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -90.18 32.68 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.651 0.738 . . . . 0.0 109.866 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 57.0 pttt -78.54 9.62 3.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.531 -175.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.1 -25.35 66.91 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -118.19 -60.79 1.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -172.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -71.18 -33.53 70.06 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -171.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.523 ' HB3' ' HB2' ' A' ' 65' ' ' LYS . 35.1 tp -91.1 -18.79 23.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.098 0.475 . . . . 0.0 110.101 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -84.87 76.84 10.2 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.332 0.587 . . . . 0.0 109.699 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.61 -169.22 22.87 Favored Glycine 0 N--CA 1.443 -0.846 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -177.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 55.67 -154.79 0.3 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.032 0.444 . . . . 0.0 110.625 -178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -132.46 159.54 39.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.571 174.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.498 ' O ' HG13 ' A' ' 78' ' ' ILE . 84.7 mm-40 -57.58 -37.42 73.13 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.333 0.396 . . . . 0.0 111.935 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.2 p -62.18 -39.39 92.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.971 0.415 . . . . 0.0 110.84 178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -37.17 86.3 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.576 177.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.435 ' HA ' HD12 ' A' ' 80' ' ' LEU . 54.0 t -68.19 -38.67 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.536 178.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 74' ' ' GLN . 76.3 mt -60.08 -39.44 80.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 121.278 0.561 . . . . 0.0 110.274 176.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -63.02 -40.09 96.71 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.305 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 77' ' ' VAL . 92.6 mt -66.52 -59.27 3.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.865 -178.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.462 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 31.3 p30 -64.32 -38.38 90.82 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -171.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -80.82 -24.85 38.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.459 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 34.0 ttmt -75.23 -15.11 60.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 173.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -95.02 -25.28 16.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.928 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.531 HD11 HG23 ' A' ' 112' ' ' ILE . 95.1 mt -94.82 -50.75 5.0 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.914 0.388 . . . . 0.0 111.796 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.1 mt -97.83 -18.09 18.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.16 0.505 . . . . 0.0 110.072 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.459 ' HA2' ' O ' ' A' ' 83' ' ' LYS . . . 80.37 22.25 63.04 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.371 -175.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.421 ' N ' ' HA ' ' A' ' 83' ' ' LYS . 42.4 ttm180 -152.68 145.75 24.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.554 0.216 . . . . 0.0 110.48 -175.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.43 160.18 81.84 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.476 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -50.02 149.64 11.32 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 123.148 2.565 . . . . 0.0 112.374 176.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -107.03 -39.52 5.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.763 -171.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.592 ' O ' HG23 ' A' ' 96' ' ' VAL . 28.8 t70 -127.55 143.8 51.14 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.875 -174.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.545 ' O ' HG12 ' A' ' 97' ' ' ILE . 40.6 tt0 -63.01 -37.0 85.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.627 -176.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.8 m -65.91 -38.87 89.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.759 0.314 . . . . 0.0 110.974 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 92' ' ' ASP . 1.6 pp20? -75.43 -29.36 59.68 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.278 178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.596 ' HA ' ' HD2' ' A' ' 99' ' ' HIS . 89.6 t -60.13 -44.6 95.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.937 0.399 . . . . 0.0 109.994 172.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 93' ' ' GLU . 51.6 mm -59.23 -36.99 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.344 177.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.429 ' HB3' ' O ' ' A' ' 95' ' ' GLU . 84.6 t80 -58.96 -41.35 87.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.909 177.279 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.596 ' HD2' ' HA ' ' A' ' 96' ' ' VAL . 82.8 m-70 -65.25 -42.64 93.08 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.229 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 90.6 mt -61.98 -42.89 99.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.371 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -63.25 -46.78 85.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.036 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.596 HD23 ' HA ' ' A' ' 111' ' ' ASP . 25.7 tp -66.11 -35.27 80.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.516 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -63.39 -39.95 95.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.807 176.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -83.4 -17.98 40.35 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.351 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -82.82 -58.21 2.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.655 0.264 . . . . 0.0 111.15 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -114.02 -37.06 4.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.418 -174.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 128.93 -179.4 16.68 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.206 -178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -71.1 -21.54 62.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.941 0.4 . . . . 0.0 110.152 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.587 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 1.0 OUTLIER -58.71 -53.99 52.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.634 175.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.56 -41.05 98.43 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.596 ' HA ' HD23 ' A' ' 102' ' ' LEU . 38.7 t70 -64.29 -34.31 77.83 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.956 0.407 . . . . 0.0 110.88 -178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.531 HG23 HD11 ' A' ' 85' ' ' LEU . 76.8 mt -75.69 -31.2 22.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.958 0.408 . . . . 0.0 110.642 174.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -69.94 -21.62 63.25 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.471 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.4 p -58.36 -34.76 71.02 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 121.055 0.455 . . . . 0.0 110.928 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -64.22 -30.46 71.51 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.937 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.508 HG13 ' HG3' ' A' ' 56' ' ' ARG . 45.7 mm -92.2 -22.32 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.376 0.608 . . . . 0.0 110.078 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.501 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 22.7 t70 -75.24 -26.82 59.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.901 -177.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.5 m -84.63 97.41 0.49 Allowed Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.281 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 17.9 Cg_endo -58.83 -48.45 14.58 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.901 2.401 . . . . 0.0 113.286 -167.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -57.62 -49.54 76.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.104 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -65.85 -47.29 75.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.456 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.7 m -61.7 -55.2 32.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.019 0.438 . . . . 0.0 111.238 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.691 ' HA ' ' HB2' ' A' ' 127' ' ' ASP . 0.2 OUTLIER -64.37 -28.12 69.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.255 -172.865 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 66.5 m -65.78 -52.2 52.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -176.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.524 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 20.7 p90 -128.86 -12.91 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 119.514 -0.874 . . . . 0.0 113.22 -172.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -122.93 29.28 5.41 Favored Glycine 0 C--O 1.229 -0.166 0 C-N-CA 119.797 -1.192 . . . . 0.0 113.63 -174.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.691 ' HB2' ' HA ' ' A' ' 123' ' ' ASN . 22.9 t70 -101.34 -50.23 3.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.998 0.428 . . . . 0.0 110.289 177.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -111.27 -18.22 12.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.026 175.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' A' ' 125' ' ' PHE . 25.8 t -104.0 148.38 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.259 -175.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 97.1 t -85.8 122.16 73.03 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.374 177.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.49 ' HB3' ' HE2' ' A' ' 125' ' ' PHE . 17.4 Cg_exo -66.76 114.72 3.24 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.875 2.384 . . . . 0.0 112.227 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -109.11 160.4 16.1 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.424 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 42.9 p90 -61.71 127.45 31.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.782 0.801 . . . . 0.0 111.827 -174.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -142.05 70.33 1.33 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.711 -1.131 . . . . 0.0 109.322 179.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -86.41 -1.45 85.92 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.05 -176.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 62.2 tp -128.73 105.19 8.09 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -93.15 169.12 10.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.029 0.442 . . . . 0.0 110.275 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.408 ' O ' ' HB2' ' A' ' 139' ' ' HIS . 67.0 m170 -103.91 -177.88 3.5 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 138' ' ' HIS . 35.4 m-70 68.77 55.42 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.688 0.618 . . . . 0.0 109.63 -174.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -65.43 -24.77 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.836 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 66.5 t-80 -75.42 118.29 18.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 173.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -63.41 160.61 15.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.567 -178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.578 -173.191 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ptp . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.116 0.484 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -93.61 177.51 1.23 Allowed 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 123.284 2.656 . . . . 0.0 111.488 174.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.53 99.22 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 128' ' ' TRP . 42.8 tt0 -139.24 138.74 37.07 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.603 -175.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.7 tp -84.2 124.47 31.21 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 -79.08 150.57 31.8 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.32 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.83 -50.29 73.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.316 0.579 . . . . 0.0 109.58 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.32 81.14 4.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 169.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 66.3 p-90 -87.49 156.15 19.67 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.43 0.633 . . . . 0.0 111.425 -175.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.516 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 2.9 m -116.93 169.13 9.63 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.076 176.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.34 -47.45 75.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.876 0.369 . . . . 0.0 110.664 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -66.76 -34.24 77.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.019 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.516 ' HB3' ' H ' ' A' ' 10' ' ' SER . 38.9 t70 -66.45 -51.6 55.16 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.978 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -58.67 -42.15 87.82 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.39 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.59 -46.51 83.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.505 178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.7 m -56.85 -43.64 81.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.465 ' O ' HG23 ' A' ' 21' ' ' VAL . 62.9 t -64.38 -58.26 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.241 -178.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.5 pt -66.14 -35.12 74.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.964 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 ttp180 -68.14 -38.16 81.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.639 0.257 . . . . 0.0 110.7 -178.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.62 76.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.191 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 17' ' ' VAL . 86.3 t -65.66 -42.43 92.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.054 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -79.25 -64.75 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.931 0.396 . . . . 0.0 111.262 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HB2' HD23 ' A' ' 26' ' ' LEU . 8.5 mmm180 -144.96 101.5 3.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.449 -173.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -69.52 110.22 4.66 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 171.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.0 t 70.36 95.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.183 -172.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.445 HD23 ' HB2' ' A' ' 23' ' ' ARG . 2.1 pp -121.17 7.96 10.3 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.055 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.42 149.68 12.28 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.982 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -126.2 -13.02 6.25 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.715 0.293 . . . . 0.0 110.742 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -86.88 -23.28 25.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.349 -176.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -136.33 -52.91 0.73 Allowed 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.673 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 63.7 t 69.34 114.38 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 O-C-N 123.598 0.561 . . . . 0.0 111.532 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mmt -92.38 130.76 37.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.21 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.37 -69.95 0.54 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.547 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.6 t 60.97 90.29 0.07 Allowed 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 121.294 0.569 . . . . 0.0 110.216 -176.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -74.88 105.33 5.87 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.262 -177.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -123.19 -77.16 0.59 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.042 -176.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -100.55 46.57 0.95 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.205 -178.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.21 -28.25 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.104 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.653 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 4.4 p -63.65 -51.56 64.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.561 176.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.01 -45.38 95.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.713 -176.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -26.93 65.29 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.989 -177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 52.8 m -76.74 -41.0 46.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.28 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 39' ' ' SER . 86.1 mt -62.11 -39.13 91.45 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.693 178.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.8 tp -65.28 -41.86 93.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.223 176.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -59.49 -41.91 90.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.667 177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -79.14 -3.48 45.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.24 -176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.4 27.04 73.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.159 -0.543 . . . . 0.0 112.332 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' HD22 ' A' ' 43' ' ' LEU . 23.6 ttmm -87.83 -29.95 20.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.166 0.507 . . . . 0.0 110.212 -178.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 45.9 pt -124.12 158.36 30.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.532 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.625 ' HB ' ' OD2' ' A' ' 127' ' ' ASP . 15.0 p -91.19 179.19 5.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.646 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.596 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 81.1 t -72.69 -33.2 43.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 -177.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.686 ' HG3' HD12 ' A' ' 116' ' ' ILE . 3.4 tpp180 -64.86 -35.65 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' A' ' 56' ' ' ARG . 5.2 mm-40 -66.24 -40.67 90.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.809 177.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.484 ' O ' HG23 ' A' ' 58' ' ' VAL . 76.0 t80 -59.92 -44.32 94.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.054 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 51' ' ' VAL . 90.8 t -62.57 -43.08 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.625 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.628 ' HD3' HG13 ' A' ' 116' ' ' ILE . 10.0 ttp180 -60.45 -42.73 96.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.775 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.98 98.45 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.382 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 54' ' ' PHE . 83.8 t -68.99 -44.28 81.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.972 -179.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.525 ' HB1' HD13 ' A' ' 112' ' ' ILE . . . -67.12 -43.69 81.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -174.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.594 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . 18.2 ptpt -92.71 8.36 39.58 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -174.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.6 p -84.49 -81.03 0.19 Allowed 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.97 -178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -145.91 101.4 3.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.5 0.667 . . . . 0.0 111.579 -177.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.9 mt -110.63 -29.54 7.98 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.435 172.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 60.93 -161.2 0.29 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.991 177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' C ' ' H ' ' A' ' 67' ' ' LYS . 0.4 OUTLIER -93.34 79.02 4.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.986 0.422 . . . . 0.0 110.587 -178.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.482 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 8.6 tp10 -82.94 36.9 0.52 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.602 0.715 . . . . 0.0 109.734 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.667 ' HA ' ' CE1' ' A' ' 70' ' ' TYR . 7.4 mtpm? 68.6 -9.96 0.5 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.281 1.033 . . . . 0.0 113.126 176.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.482 ' CD1' ' HB3' ' A' ' 66' ' ' GLU . 26.5 p90 -85.02 -1.24 56.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.845 0.355 . . . . 0.0 111.335 -176.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.1 tp -113.73 -68.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.575 -175.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.667 ' CE1' ' HA ' ' A' ' 67' ' ' LYS . 32.0 p90 -63.83 -33.28 75.33 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.632 0.253 . . . . 0.0 111.534 -174.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.5 54.74 0.54 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.682 -0.771 . . . . 0.0 111.673 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.435 HD21 ' HG2' ' A' ' 76' ' ' ARG . 49.1 t30 -165.06 131.85 2.91 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 -177.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -56.86 139.29 51.86 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.591 176.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -59.55 -29.87 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.957 -175.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 p -60.59 -37.83 82.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.513 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 14.3 ttm180 -83.84 -23.72 31.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.691 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.9 t -62.56 -45.45 98.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 173.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' A' ' 99' ' ' HIS . 58.4 mt -63.61 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.25 174.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -56.27 -43.5 78.82 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.674 176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 96.2 mt -65.39 -43.01 92.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.054 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.666 ' HB3' ' HE2' ' A' ' 115' ' ' TYR . 97.4 m-20 -59.05 -54.62 45.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.882 0.372 . . . . 0.0 110.659 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -57.85 -42.73 85.06 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.365 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 88' ' ' ARG . 43.6 tttm -77.95 -32.24 51.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.941 -171.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -94.66 -34.1 12.72 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -177.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.8 mt -91.16 -34.47 15.01 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.64 0.257 . . . . 0.0 111.677 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.1 mt -108.73 -6.66 15.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.689 0.281 . . . . 0.0 110.94 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 133' ' ' TYR . . . 60.06 50.1 71.33 Favored Glycine 0 N--CA 1.452 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.661 179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.495 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 13.6 ptp180 -167.19 174.79 7.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.748 0.309 . . . . 0.0 110.762 -176.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -101.36 159.05 30.57 Favored Pre-proline 0 C--N 1.32 -0.702 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.77 132.56 46.98 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.397 2.065 . . . . 0.0 111.554 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -68.56 -48.03 65.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.108 0.48 . . . . 0.0 110.816 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 95' ' ' GLU . 10.5 t70 -132.68 154.72 49.87 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' O ' HG12 ' A' ' 97' ' ' ILE . 28.8 tt0 -75.69 -25.27 56.56 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.821 0.343 . . . . 0.0 110.119 -179.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 11.7 m -63.61 -31.14 72.22 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 92' ' ' ASP . 13.1 mm-40 -58.2 -50.46 73.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.987 173.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.568 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 61.9 t -56.21 -44.28 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.384 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.488 ' HA ' HD12 ' A' ' 100' ' ' LEU . 48.2 mm -58.42 -46.51 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.751 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -62.52 -42.79 99.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.493 ' HB2' HD13 ' A' ' 78' ' ' ILE . 83.5 m-70 -66.62 -27.7 67.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.12 -178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 96.1 mt -61.25 -48.79 79.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.189 0.518 . . . . 0.0 109.646 173.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -65.56 -40.25 92.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.496 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.519 HD21 ' OG ' ' A' ' 114' ' ' SER . 40.7 tp -59.22 -43.97 92.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.5 -41.79 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.754 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -70.89 -35.82 72.49 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.412 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -80.33 -57.98 3.35 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -176.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -100.21 -36.52 9.27 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.883 0.373 . . . . 0.0 111.946 -169.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.29 175.21 14.72 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.307 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -73.99 -34.97 64.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.765 0.317 . . . . 0.0 111.142 -176.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.594 ' HB2' ' HB2' ' A' ' 60' ' ' LYS . 0.6 OUTLIER -74.71 -26.17 59.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.053 0.454 . . . . 0.0 110.004 -177.296 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.3 -34.73 36.58 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.594 177.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -58.38 -42.06 86.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.364 0.602 . . . . 0.0 109.501 175.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.525 HD13 ' HB1' ' A' ' 59' ' ' ALA . 86.9 mt -66.37 -40.27 86.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.871 175.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.626 ' OD2' ' HD2' ' A' ' 56' ' ' ARG . 10.9 t70 -61.57 -32.35 72.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.284 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.519 ' OG ' HD21 ' A' ' 102' ' ' LEU . 12.1 m -61.31 -30.0 70.22 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.507 -178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.666 ' HE2' ' HB3' ' A' ' 81' ' ' ASN . 11.2 m-85 -69.12 -32.54 72.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.216 0.532 . . . . 0.0 109.81 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.686 HD12 ' HG3' ' A' ' 52' ' ' ARG . 17.1 mm -82.56 -27.96 8.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.52 -176.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.438 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 28.3 t70 -74.87 -16.35 60.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.617 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m -77.15 105.42 2.47 Favored Pre-proline 0 C--O 1.24 0.58 0 CA-C-O 121.345 0.593 . . . . 0.0 110.547 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 43.2 Cg_endo -69.01 -55.55 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.82 2.347 . . . . 0.0 113.546 -170.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.45 -40.01 92.93 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.976 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -62.52 -38.69 90.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.796 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.458 HG23 ' HE ' ' A' ' 52' ' ' ARG . 96.6 m -72.65 -41.84 65.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.865 0.365 . . . . 0.0 110.941 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.81 -52.64 23.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.056 -175.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.8 t -69.84 -17.32 63.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.597 -175.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.808 ' HZ ' ' H ' ' A' ' 132' ' ' TYR . 47.4 t80 -89.49 -31.72 17.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.028 0.442 . . . . 0.0 110.586 178.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 100.48 109.18 3.1 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -175.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.625 ' OD2' ' HB ' ' A' ' 50' ' ' THR . 21.0 t70 -59.93 -37.38 79.34 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.483 ' HA ' HG21 ' A' ' 51' ' ' VAL . 48.2 m95 -79.03 -4.91 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.439 -171.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 17.1 t -91.02 123.28 43.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.888 0.375 . . . . 0.0 110.538 -179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.478 HG13 ' HD2' ' A' ' 131' ' ' PRO . 88.0 t -69.95 136.41 87.39 Favored Pre-proline 0 C--N 1.323 -0.556 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.478 ' HD2' HG13 ' A' ' 130' ' ' VAL . 84.3 Cg_exo -20.3 95.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 1 C-N-CA 125.631 4.22 . . . . 0.0 114.794 -174.642 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.808 ' H ' ' HZ ' ' A' ' 125' ' ' PHE . 26.2 t80 -93.18 130.32 38.9 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.428 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.59 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 60.7 m-85 -78.7 98.89 6.39 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.419 0.628 . . . . 0.0 111.671 -176.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -128.94 85.82 2.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.62 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -146.36 -133.14 2.45 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.193 -1.003 . . . . 0.0 112.944 -175.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 62.8 tp -94.93 111.83 23.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.786 0.326 . . . . 0.0 111.353 -176.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.73 -77.43 0.32 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.073 173.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 13.3 t60 54.0 73.57 0.38 Allowed 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.645 0.59 . . . . 0.0 109.99 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -67.61 179.84 1.26 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.287 -172.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 41.4 m80 77.25 -49.51 0.53 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.189 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -108.02 -39.38 5.53 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.142 -0.223 . . . . 0.0 111.562 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 50.2 t-80 -115.01 142.76 46.19 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.829 0.347 . . . . 0.0 111.309 -175.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--O 1.247 0.962 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.259 170.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.535 ' SD ' ' HD2' ' A' ' 2' ' ' PRO . 16.0 tpt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.535 ' HD2' ' SD ' ' A' ' 1' ' ' MET . 14.8 Cg_endo -57.76 125.08 17.59 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.797 2.331 . . . . 0.0 112.185 177.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.534 HG12 HG22 ' A' ' 17' ' ' VAL . 38.7 t -81.2 123.53 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.667 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -100.05 158.38 15.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.116 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.1 tp -114.31 100.67 8.51 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 169.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HG2' ' H ' ' A' ' 6' ' ' ARG . 6.2 ptp85 -84.95 157.54 20.78 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.972 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.35 -33.28 75.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.809 0.338 . . . . 0.0 111.071 -174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -104.34 87.46 2.74 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 172.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 30.6 p-90 -103.54 164.29 11.76 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.366 -177.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.6 m -102.38 155.11 18.46 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 170.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 32.8 tt0 -58.27 -45.07 88.57 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.539 0.209 . . . . 0.0 110.886 -175.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -59.94 -46.83 88.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.164 0.507 . . . . 0.0 110.599 176.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -63.92 -38.27 90.46 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.298 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.572 HD21 ' HA ' ' A' ' 45' ' ' ARG . 40.3 tp -60.93 -47.36 86.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.89 176.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.529 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 43.4 mt-10 -66.1 -28.17 68.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.444 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.7 m -62.25 -38.88 90.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.045 0.45 . . . . 0.0 109.817 174.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.534 HG22 HG12 ' A' ' 3' ' ' VAL . 58.9 t -65.64 -51.32 64.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.307 176.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.9 mt -57.99 -46.79 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.074 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 58.9 ttp180 -68.66 -23.77 64.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.223 -177.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.07 -34.41 66.22 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.252 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.3 t -77.03 -48.32 25.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.615 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 1.7 p90 -157.39 -170.18 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.707 HH11 ' HG2' ' A' ' 23' ' ' ARG . 3.9 tpp85 72.4 94.17 0.08 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.461 0.648 . . . . 0.0 111.032 176.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -125.74 166.75 16.22 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.8 t -68.94 -34.19 62.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 176.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.7 tp -89.95 137.23 32.51 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.926 174.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -178.09 -61.84 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -156.56 178.95 9.74 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.55 20.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -176.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 62.51 27.52 16.3 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 123.019 0.528 . . . . 0.0 110.981 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 m -83.64 -8.85 11.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.664 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -76.73 129.9 36.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.202 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.57 115.21 27.42 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.453 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.7 t 69.63 -174.46 0.19 Allowed 'General case' 0 C--O 1.235 0.304 0 O-C-N 124.041 0.838 . . . . 0.0 110.05 -176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.664 ' HB2' ' HB ' ' A' ' 38' ' ' VAL . 44.7 mt-10 -128.6 152.51 48.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.053 -178.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HG3' ' HG ' ' A' ' 37' ' ' LEU . 10.2 ptp180 -88.0 -18.24 29.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.775 0.321 . . . . 0.0 111.159 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.514 HD13 HG22 ' A' ' 58' ' ' VAL . 80.5 mt -113.93 13.51 18.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.142 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.664 ' HB ' ' HB2' ' A' ' 35' ' ' GLU . 7.7 p -62.49 -40.14 87.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.295 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 50.4 m -68.22 -35.63 78.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.913 0.387 . . . . 0.0 110.403 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.67 88.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.219 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -62.1 -45.14 94.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.485 177.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m -59.87 -40.08 87.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.606 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 39' ' ' SER . 85.9 mt -63.23 -34.81 78.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.641 0.257 . . . . 0.0 110.957 178.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.2 tp -71.86 -38.83 70.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.049 0.452 . . . . 0.0 109.808 176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.572 ' HA ' HD21 ' A' ' 14' ' ' LEU . 3.8 tmt_? -64.97 -34.55 78.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.979 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -78.09 -4.41 47.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.601 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.53 32.78 79.63 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 121.266 -0.492 . . . . 0.0 112.294 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HD2' HD22 ' A' ' 43' ' ' LEU . 24.0 ttmm -93.11 -44.17 8.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.61 0.243 . . . . 0.0 111.019 -176.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 40.7 pt -98.19 176.47 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.728 0.299 . . . . 0.0 111.295 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 73.1 p -98.72 171.93 7.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.315 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.93 -41.32 84.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 174.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.477 ' HE ' HG21 ' A' ' 122' ' ' THR . 1.0 OUTLIER -54.76 -44.27 73.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.525 175.466 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -62.8 -44.68 95.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.779 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.551 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 61.2 t80 -61.57 -45.42 94.23 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.357 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 72.1 t -59.39 -42.29 87.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.524 176.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.505 ' HG3' HD13 ' A' ' 116' ' ' ILE . 35.4 ttp85 -56.08 -50.93 69.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.886 0.374 . . . . 0.0 110.872 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.31 92.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.357 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 37' ' ' LEU . 42.1 t -73.03 -37.71 54.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.231 -177.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.46 -23.17 64.57 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' HA ' HD13 ' A' ' 112' ' ' ILE . 77.4 mttt -93.53 15.6 15.65 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.5 p -96.1 149.15 21.93 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 175.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.31 82.13 6.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.133 0.492 . . . . 0.0 110.9 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 64' ' ' TYR . 38.2 tp -82.67 111.42 18.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.815 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 63' ' ' LEU . 82.4 m-85 72.39 -60.9 0.51 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.883 0.739 . . . . 0.0 110.953 -176.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 1.068 ' HG3' ' HB3' ' A' ' 69' ' ' LEU . 25.8 tptt -148.41 148.43 30.3 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.588 ' O ' ' HB2' ' A' ' 69' ' ' LEU . 1.4 mp0 -47.18 100.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.755 0.66 . . . . 0.0 112.053 -176.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.629 ' HZ2' HG12 ' A' ' 112' ' ' ILE . 22.0 tptm 67.92 32.24 5.26 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.603 179.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 62.49 36.14 14.21 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 122.184 0.993 . . . . 0.0 110.172 -177.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.068 ' HB3' ' HG3' ' A' ' 65' ' ' LYS . 64.5 tp -58.87 151.94 20.46 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.548 -1.66 . . . . 0.0 112.244 179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.506 ' HE2' ' HD2' ' A' ' 73' ' ' PHE . 41.3 t80 -141.75 -39.52 0.38 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.23 175.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.66 156.63 32.72 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.385 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.6 t30 69.85 -72.07 0.11 Allowed 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 122.791 0.436 . . . . 0.0 110.452 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.506 ' HD2' ' HE2' ' A' ' 70' ' ' TYR . 84.1 m-85 -86.86 61.96 7.12 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.449 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 7.0 tp60 -65.8 -25.6 67.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.017 -176.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.417 ' HA ' HD12 ' A' ' 78' ' ' ILE . 37.1 p -57.89 -29.51 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 27.4 ttm180 -66.99 -37.54 84.4 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.626 178.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 45.4 t -66.57 -32.5 58.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-O 121.415 0.626 . . . . 0.0 109.705 177.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.46 ' O ' ' HB2' ' A' ' 81' ' ' ASN . 64.2 mt -66.66 -42.52 89.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.243 175.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 75' ' ' THR . 47.3 mt-10 -62.16 -37.57 85.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.593 177.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.9 mt -62.39 -38.67 90.54 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.419 177.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 8.4 m-80 -55.67 -57.09 13.41 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.385 0.612 . . . . 0.0 110.529 174.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.531 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 8.0 m-85 -65.1 -34.76 79.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.959 -173.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' O ' ' HB3' ' A' ' 133' ' ' TYR . 87.3 tttt -75.11 -51.06 14.39 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.491 -0.483 . . . . 0.0 111.63 -177.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -91.89 -24.26 19.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -169.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 84.8 mt -101.25 -47.1 4.83 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.563 -0.455 . . . . 0.0 111.475 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.9 -26.09 24.1 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 121.02 -0.272 . . . . 0.0 111.193 -176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.614 ' HA2' ' HA ' ' A' ' 133' ' ' TYR . . . 76.93 27.01 61.2 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.421 178.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 35.6 tpt85 -158.32 133.27 8.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.586 0.193 . . . . 0.0 110.653 -176.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.24 152.86 87.4 Favored Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.713 176.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.41 150.31 42.51 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.255 2.637 . . . . 0.0 113.315 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.472 ' OH ' ' HG2' ' A' ' 88' ' ' ARG . 95.7 m-85 -99.09 -59.9 1.64 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.282 -177.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -130.45 -165.11 1.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.805 -0.358 . . . . 0.0 111.15 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -87.23 -32.69 19.63 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -172.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.2 p -62.67 -34.35 76.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.872 0.368 . . . . 0.0 111.558 -171.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.424 ' HB2' ' OH ' ' A' ' 82' ' ' TYR . 9.3 pt-20 -66.31 -38.17 87.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.604 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.0 t -66.69 -48.71 79.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.833 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.79 -41.99 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.577 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -54.52 -50.88 66.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.34 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 41.5 m-70 -68.57 -30.43 69.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.219 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 97.7 mt -65.51 -51.92 56.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.131 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.4 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.32 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.46 -41.79 99.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.744 177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -70.56 -32.67 70.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -69.29 -45.51 69.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.707 0.289 . . . . 0.0 110.787 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -83.02 -57.74 3.16 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -174.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -102.44 -33.33 9.57 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.739 -173.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 110.09 -172.46 15.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.32 -0.943 . . . . 0.0 113.392 174.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.542 ' O ' HG13 ' A' ' 112' ' ' ILE . 50.1 p90 -70.07 -19.96 63.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.583 -0.309 . . . . 0.0 111.567 -175.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -64.07 -48.28 76.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.029 0.442 . . . . 0.0 110.041 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.86 -29.0 64.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.309 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -57.8 -33.51 68.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.311 174.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.629 HG12 ' HZ2' ' A' ' 67' ' ' LYS . 62.9 mt -74.56 -42.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.473 176.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.536 ' HA ' HD12 ' A' ' 116' ' ' ILE . 1.1 m-20 -63.44 -18.55 63.86 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.348 -178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -50.06 -39.38 41.93 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.02 0.438 . . . . 0.0 111.403 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -77.17 -30.46 54.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.362 0.601 . . . . 0.0 110.714 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 113' ' ' ASP . 14.6 mt -83.87 -15.95 11.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.017 -172.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -93.95 -3.39 51.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.01 0.434 . . . . 0.0 111.084 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.0 m -107.95 89.99 6.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.863 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -64.17 -46.43 8.01 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.816 2.344 . . . . 0.0 112.536 -175.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -58.21 -47.56 83.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -62.55 -44.35 96.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.499 -177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.477 HG21 ' HE ' ' A' ' 52' ' ' ARG . 24.7 m -64.13 -43.83 94.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.77 0.319 . . . . 0.0 110.637 179.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.445 ' HA ' ' OD1' ' A' ' 127' ' ' ASP . 2.6 t-20 -64.16 -38.73 92.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.292 -176.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.0 m -75.39 -40.43 57.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 111.022 178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -74.99 -38.56 61.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.477 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.553 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 144.7 78.41 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.496 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 123' ' ' ASN . 5.1 p-10 -68.87 -17.27 63.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.908 0.385 . . . . 0.0 110.854 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.401 ' HD1' ' OD2' ' A' ' 127' ' ' ASP . 68.5 m95 -127.23 27.56 5.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.117 173.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.553 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 58.0 t -131.24 147.67 32.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.116 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.4 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 67.7 t -71.19 126.25 91.94 Favored Pre-proline 0 C--O 1.234 0.254 0 CA-C-O 120.596 0.236 . . . . 0.0 110.575 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 130' ' ' VAL . 50.5 Cg_exo -55.25 126.93 24.2 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.34 2.694 . . . . 0.0 113.095 179.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -131.95 140.91 49.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.765 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.614 ' HA ' ' HA2' ' A' ' 87' ' ' GLY . 4.2 p90 -83.27 108.61 16.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.086 0.469 . . . . 0.0 112.017 -177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.635 ' HG2' HD13 ' A' ' 136' ' ' LEU . 44.1 ttp85 68.58 -71.51 0.11 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.92 176.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 83.58 -91.42 1.62 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 121.104 -0.57 . . . . 0.0 113.06 177.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.635 HD13 ' HG2' ' A' ' 134' ' ' ARG . 11.0 mp 61.43 -92.1 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 122.934 0.494 . . . . 0.0 110.73 -173.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 66.74 -72.72 0.08 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.263 0.625 . . . . 0.0 112.063 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 33.4 p80 -67.09 161.19 25.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.942 0.401 . . . . 0.0 111.661 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -60.81 154.82 20.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.591 175.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -140.53 35.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.905 0.383 . . . . 0.0 111.435 -173.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.501 ' HB3' ' H ' ' A' ' 142' ' ' HIS . 38.0 m80 60.0 -143.23 0.55 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.879 176.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.501 ' H ' ' HB3' ' A' ' 141' ' ' HIS . 77.8 m-70 70.73 45.66 0.56 Allowed 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.812 0.695 . . . . 0.0 110.606 -175.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 68.9 t60 . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.29 177.386 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -56.56 139.08 86.92 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.65 2.233 . . . . 0.0 112.298 179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.4 t -74.84 106.37 4.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' CD ' HH21 ' A' ' 6' ' ' ARG . 9.9 pt-20 -112.66 149.76 32.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.906 -175.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.6 tp -104.68 100.14 9.8 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 168.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.4 HH21 ' CD ' ' A' ' 4' ' ' GLU . 4.2 ptp180 -90.83 170.61 9.95 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.272 -174.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.84 -35.56 78.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.955 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -108.55 76.08 1.01 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.13 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -93.47 165.2 12.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.977 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.3 m -123.41 167.91 13.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.13 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 15.2 mm-40 -58.51 -53.34 59.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.561 0.219 . . . . 0.0 111.124 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.56 -31.12 71.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.412 0.625 . . . . 0.0 110.751 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.495 ' O ' HG23 ' A' ' 17' ' ' VAL . 30.5 t70 -72.36 -38.55 68.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.517 179.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.3 tp -64.12 -41.63 97.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.262 175.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 18.0 mm-40 -55.35 -42.9 74.5 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 121.354 0.597 . . . . 0.0 109.718 173.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.4 m -63.18 -43.78 97.28 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.892 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 13' ' ' ASP . 86.2 t -62.63 -52.25 62.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.443 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.6 pt -64.83 -36.21 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.589 -175.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.626 ' O ' ' HG3' ' A' ' 23' ' ' ARG . 69.3 mtp180 -76.13 -27.29 56.99 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.736 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.59 -30.47 70.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.116 0.484 . . . . 0.0 110.051 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -75.45 -41.66 42.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.166 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.43 ' CD1' HG11 ' A' ' 58' ' ' VAL . 25.1 p90 -154.67 123.38 6.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.24 0.543 . . . . 0.0 111.451 178.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 19' ' ' ARG . 26.0 mtm180 -112.2 24.47 12.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.274 174.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -59.38 128.57 37.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.023 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 46.8 t -88.38 -39.63 12.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.52 -174.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.88 ' HG ' ' H ' ' A' ' 27' ' ' GLY . 20.8 tp 65.54 -168.36 0.21 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.311 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.88 ' H ' ' HG ' ' A' ' 26' ' ' LEU . . . -98.7 -143.75 15.43 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.281 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.421 ' O ' ' HD1' ' A' ' 30' ' ' TYR . 6.0 t-20 -116.67 19.67 14.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.471 0.653 . . . . 0.0 109.319 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 32' ' ' MET . 10.7 m-20 -78.13 73.42 4.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.075 -178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.421 ' HD1' ' O ' ' A' ' 28' ' ' ASN . 13.3 p90 -80.67 -8.29 59.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.76 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.6 m -101.53 9.7 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.045 -0.525 . . . . 0.0 112.262 -175.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.421 ' HG2' ' O ' ' A' ' 29' ' ' ASP . 26.7 ptt? -94.74 -41.51 9.22 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.385 -0.526 . . . . 0.0 111.085 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 54.98 29.43 12.24 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.3 m -60.49 -33.8 73.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.426 -177.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.422 ' HG2' ' HB3' ' A' ' 61' ' ' SER . 7.2 tp10 -144.83 131.49 19.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.645 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -115.08 96.81 5.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 HD13 HG22 ' A' ' 58' ' ' VAL . 66.9 mt -86.9 -2.8 58.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.826 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.69 -28.9 45.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.14 174.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.419 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 13.1 m -68.5 -34.64 76.24 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.988 176.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.9 -36.92 67.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.642 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.93 -49.07 79.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.65 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.3 p -66.26 -39.06 89.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.217 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 39' ' ' SER . 67.9 mt -61.17 -40.25 93.17 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.649 0.261 . . . . 0.0 111.085 176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.9 tp -74.46 -45.1 48.46 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.007 0.432 . . . . 0.0 110.55 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 45' ' ' ARG . 36.2 ttt85 -63.44 -34.56 78.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.177 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.533 ' HB3' ' HG3' ' A' ' 48' ' ' LYS . 7.8 t-20 -80.81 -12.7 59.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.047 0.451 . . . . 0.0 110.301 178.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.2 28.14 56.58 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.733 177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.533 ' HG3' ' HB3' ' A' ' 46' ' ' ASN . 41.1 mtpt -89.11 -26.41 21.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.945 0.402 . . . . 0.0 110.365 -178.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 pp -129.89 165.61 29.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.3 p -96.23 173.83 7.2 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 55' ' ' VAL . 48.4 t -61.42 -28.81 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.072 0.463 . . . . 0.0 109.956 177.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.722 ' HG2' HG21 ' A' ' 122' ' ' THR . 1.9 tmm_? -57.19 -48.51 78.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.357 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.09 -39.76 86.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.64 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.68 -45.68 93.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.796 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 51' ' ' VAL . 84.0 t -61.15 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.036 179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.556 ' HD2' HG21 ' A' ' 116' ' ' ILE . 20.5 ttt180 -60.31 -45.06 94.72 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.736 0.303 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.13 -55.0 36.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.899 -178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.475 HG22 HD13 ' A' ' 37' ' ' LEU . 35.0 t -69.81 -28.96 38.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.092 -177.436 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.92 -36.94 75.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.116 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -101.98 13.92 33.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.11 0.481 . . . . 0.0 111.342 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.449 ' OG ' HD21 ' A' ' 37' ' ' LEU . 73.8 m -99.23 -47.42 5.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.192 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -121.67 -172.56 2.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.177 -176.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mp 66.53 23.99 10.35 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.642 0.589 . . . . 0.0 111.063 -177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -90.07 -20.74 22.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.867 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -172.46 139.6 1.0 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.419 0.152 . . . . 0.0 110.723 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.78 ' HG2' ' HD3' ' A' ' 67' ' ' LYS . 32.7 tt0 -171.01 -80.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 172.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.78 ' HD3' ' HG2' ' A' ' 66' ' ' GLU . 3.7 mppt? -129.26 19.32 5.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.183 0.516 . . . . 0.0 109.799 170.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -128.26 175.66 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.379 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.8 tp 67.27 69.79 0.38 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.975 0.797 . . . . 0.0 111.496 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 47.5 p90 179.99 171.79 1.09 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.065 174.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 65.85 19.4 67.47 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.777 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 65.43 15.86 10.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 121.4 0.619 . . . . 0.0 110.925 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -82.77 44.61 0.92 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.216 0.531 . . . . 0.0 110.555 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.411 ' O ' HG12 ' A' ' 78' ' ' ILE . 11.5 mm100 -66.47 -25.97 66.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.763 -177.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.6 p -61.3 -32.97 72.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.825 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.554 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 10.2 mmt180 -74.1 -27.65 60.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.342 178.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.417 ' HA ' HD12 ' A' ' 80' ' ' LEU . 48.2 t -69.4 -37.85 76.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 175.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.411 HG12 ' O ' ' A' ' 74' ' ' GLN . 43.2 mm -60.69 -44.09 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.707 174.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.9 -39.64 92.69 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.438 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 92.5 mt -59.81 -50.7 72.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.54 -44.6 90.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.535 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 2.3 m-85 -57.65 -48.61 79.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.041 0.448 . . . . 0.0 111.428 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . 34.0 ttmt -70.21 -34.5 72.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.108 -175.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -86.14 -33.77 20.77 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -175.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 83.7 mt -99.76 -39.05 8.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -173.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.4 mt -110.36 -12.5 14.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.743 -0.383 . . . . 0.0 111.62 -175.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 68.05 28.06 73.5 Favored Glycine 0 C--N 1.33 0.198 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.639 178.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.535 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 13.2 ptm180 -140.42 153.01 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.759 0.314 . . . . 0.0 110.435 -178.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.83 155.82 38.82 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.682 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.73 121.29 7.77 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.914 2.409 . . . . 0.0 112.222 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -83.36 -42.84 16.6 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.879 -177.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -133.23 157.82 44.45 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.423 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.0 -33.47 68.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.342 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.6 t -57.83 -40.55 80.28 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.762 -177.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.463 ' HB3' ' OH ' ' A' ' 82' ' ' TYR . 32.1 mt-10 -60.07 -42.51 94.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.209 0.528 . . . . 0.0 110.5 179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.5 t -68.75 -52.7 32.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.695 -178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.4 mt -60.14 -40.54 83.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.457 -177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.47 -54.51 46.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.837 0.351 . . . . 0.0 111.107 178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.7 m80 -67.36 -35.1 78.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.905 -177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 74.8 mt -59.87 -52.46 65.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.037 0.446 . . . . 0.0 110.429 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.1 -43.42 95.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.748 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.5 tp -62.5 -50.33 71.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.023 178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -56.18 -49.72 73.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.444 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.75 -34.1 76.16 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -83.36 -58.2 2.93 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.993 -177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -91.95 -36.27 13.53 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.517 -0.473 . . . . 0.0 112.16 -173.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.37 176.9 14.6 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 119.955 -1.117 . . . . 0.0 113.598 174.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -64.17 -38.95 92.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.149 -0.526 . . . . 0.0 110.814 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.77 -38.48 81.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.394 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -42.78 74.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.379 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.08 -50.25 72.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.376 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 43.2 mm -56.22 -41.22 69.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.394 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.78 -36.4 69.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.187 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.2 m -57.69 -37.47 73.51 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -175.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.456 ' HE1' ' CE1' ' A' ' 82' ' ' TYR . 50.6 m-85 -78.82 -26.75 44.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.192 0.52 . . . . 0.0 110.746 -175.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.556 HG21 ' HD2' ' A' ' 56' ' ' ARG . 37.1 mm -93.02 -20.28 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.552 -176.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -85.39 5.64 30.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.328 -175.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 119' ' ' PRO . 12.7 p -106.01 89.03 3.39 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 172.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 118' ' ' SER . 12.1 Cg_endo -56.23 -51.02 10.33 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.219 2.613 . . . . 0.0 113.692 -171.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.678 ' HA ' ' OD1' ' A' ' 123' ' ' ASN . 36.0 tt0 -70.12 -37.82 75.41 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.837 -173.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -62.15 -28.08 69.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.737 177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.722 HG21 ' HG2' ' A' ' 52' ' ' ARG . 25.5 m -83.3 -56.08 3.97 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.147 177.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.856 ' HA ' ' HB3' ' A' ' 127' ' ' ASP . 1.8 p-10 -71.02 -26.28 63.04 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -170.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.4 t -85.95 -4.28 59.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.667 0.27 . . . . 0.0 111.153 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -116.36 -39.42 3.38 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 0.0 110.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -176.08 81.06 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.68 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.856 ' HB3' ' HA ' ' A' ' 123' ' ' ASN . 22.9 p-10 -80.92 -42.14 21.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.259 0.552 . . . . 0.0 110.218 178.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 78.6 m95 -115.1 16.44 17.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.794 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 50.7 t -122.63 136.96 57.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.842 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -69.14 128.2 92.7 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.3 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -44.73 113.35 0.46 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.844 3.029 . . . . 0.0 112.996 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.407 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 15.9 p90 -108.53 170.89 7.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.026 -179.066 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.424 ' O ' ' HG2' ' A' ' 134' ' ' ARG . 4.1 t80 -83.07 114.98 21.67 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.831 -177.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 133' ' ' TYR . 9.2 ptp85 55.49 -173.6 0.05 Allowed 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.425 1.078 . . . . 0.0 112.054 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -79.51 53.76 4.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.058 -0.591 . . . . 0.0 111.827 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.422 ' O ' ' HG2' ' A' ' 137' ' ' GLU . 7.7 mp 60.91 -93.45 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 123.367 0.667 . . . . 0.0 110.929 -177.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 136' ' ' LEU . 2.0 mm-40 -165.68 -59.62 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.647 178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -117.09 103.36 10.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.627 177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -110.38 126.78 54.63 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -82.35 8.06 12.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.804 -169.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -74.71 100.02 3.87 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -125.92 144.3 50.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.638 -166.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.858 172.536 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.7 mpt? . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 120.675 0.274 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 6.1 Cg_exo -74.4 116.27 4.57 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.877 2.385 . . . . 0.0 111.666 176.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.0 t -82.6 99.35 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 8.9 pt-20 -115.68 145.84 42.38 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.903 -173.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.1 tp -85.73 100.06 11.75 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 173.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -76.37 150.49 36.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.387 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.92 -34.52 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.4 . . . . 0.0 111.228 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -102.71 87.3 2.94 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 172.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -112.82 163.66 14.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.271 0.557 . . . . 0.0 111.379 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.0 t -133.9 -179.29 5.46 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.346 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.32 -46.17 76.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.719 0.295 . . . . 0.0 111.544 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.41 -44.77 93.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.133 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.5 -48.81 78.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.312 0.577 . . . . 0.0 109.901 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' O ' HG13 ' A' ' 18' ' ' ILE . 38.8 tp -62.8 -41.15 99.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.009 -178.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.4 -41.59 98.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.997 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.6 m -59.84 -41.72 92.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.334 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.9 t -59.03 -45.95 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.335 175.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 14' ' ' LEU . 87.1 mt -59.61 -49.58 83.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.288 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.0 mmt-85 -65.55 -31.85 73.12 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.969 -177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.44 -40.58 93.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.471 178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.6 t -67.4 -47.46 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.199 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -154.89 145.86 22.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.951 0.405 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -111.93 89.34 3.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.121 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -91.36 -78.72 0.39 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.866 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.1 t 69.74 -56.3 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.562 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.7 tp -58.7 115.63 3.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.093 0.473 . . . . 0.0 109.886 177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.01 -29.76 1.23 Allowed Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.351 -1.1 . . . . 0.0 110.351 -174.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.7 m120 65.97 -175.54 0.18 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.052 0.541 . . . . 0.0 111.603 172.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -108.96 -33.14 7.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -85.4 -91.27 0.09 Allowed 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.96 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.699 HG23 ' H ' ' A' ' 32' ' ' MET . 5.0 m 32.83 -101.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.14 0.976 . . . . 0.0 113.336 -176.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.699 ' H ' HG23 ' A' ' 31' ' ' VAL . 2.5 tpt -135.04 -45.6 0.72 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 176.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -151.07 138.8 19.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.584 173.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.6 m -69.01 -43.22 75.22 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 56.91 29.69 16.69 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.435 0.636 . . . . 0.0 110.673 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -91.35 41.69 1.08 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.573 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD13 HG22 ' A' ' 58' ' ' VAL . 92.9 mt 59.19 56.96 3.64 Favored 'General case' 0 N--CA 1.461 0.076 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.049 -177.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.26 -40.36 77.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.762 -174.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.456 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 19.5 m -66.26 -49.46 67.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.664 0.269 . . . . 0.0 110.525 -178.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.18 94.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.888 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.52 ' OE2' ' HD2' ' A' ' 45' ' ' ARG . 7.2 tm-20 -61.79 -48.84 78.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.401 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.5 t -62.81 -40.22 96.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 -178.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 39' ' ' SER . 77.9 mt -62.91 -43.0 99.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.514 0.197 . . . . 0.0 111.461 -178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.7 tp -73.82 -37.59 64.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.003 0.43 . . . . 0.0 110.21 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.52 ' HD2' ' OE2' ' A' ' 41' ' ' GLU . 37.1 ttt180 -63.23 -36.07 82.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.353 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -81.03 -13.34 58.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.595 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.85 22.08 75.25 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.066 -0.588 . . . . 0.0 112.299 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -81.08 -30.5 34.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.793 0.33 . . . . 0.0 110.567 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.781 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 49.9 pt -118.41 167.54 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.722 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.4 p -93.04 178.11 5.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.956 176.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 67.8 t -67.74 -29.9 46.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 175.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.726 ' HG3' HG21 ' A' ' 122' ' ' THR . 34.1 ttp180 -56.3 -48.95 75.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.927 173.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.781 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 7.7 mm-40 -72.16 -26.29 62.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.074 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' O ' HG23 ' A' ' 58' ' ' VAL . 68.1 t80 -67.33 -52.68 37.39 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 175.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.1 t -58.1 -40.29 76.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.978 175.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' ' 53' ' ' GLU . 22.1 ttt180 -47.9 -54.52 12.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.312 174.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.88 -39.82 69.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.83 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 54' ' ' PHE . 90.5 t -66.75 -44.18 89.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.125 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.614 ' HB1' HD13 ' A' ' 112' ' ' ILE . . . -76.72 -40.12 49.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.616 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -83.28 17.12 2.18 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.783 0.325 . . . . 0.0 111.723 -178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.7 p -75.04 -167.49 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.066 0.46 . . . . 0.0 110.058 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -84.72 -7.18 59.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.353 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.7 mt 64.72 169.17 0.18 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.611 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -80.67 -35.34 33.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.946 178.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.806 ' HG3' ' HB3' ' A' ' 69' ' ' LEU . 89.0 tttt 70.69 -44.52 0.58 Allowed 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.847 176.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -37.4 -66.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.101 0.961 . . . . 0.0 112.717 -175.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -110.55 24.23 13.23 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.999 0.428 . . . . 0.0 110.587 -176.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -126.59 -59.16 1.3 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -177.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.806 ' HB3' ' HG3' ' A' ' 65' ' ' LYS . 32.9 tp -89.19 -8.9 52.7 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.858 0.361 . . . . 0.0 111.489 -170.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -147.13 146.75 30.02 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.17 6.52 55.61 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.837 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -157.65 178.66 10.02 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -63.14 129.83 42.0 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.604 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.911 ' HA ' HE21 ' A' ' 74' ' ' GLN . 0.0 OUTLIER -62.35 -26.07 68.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.038 0.447 . . . . 0.0 110.348 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.1 p -67.03 -25.05 66.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.039 176.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 3.3 tpt180 -73.39 -26.93 61.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.087 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.45 -38.78 82.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.275 0.56 . . . . 0.0 109.644 175.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 85.1 mt -65.13 -40.72 89.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.026 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.27 -37.35 80.2 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.194 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 98.1 mt -57.91 -52.92 63.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.552 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -64.38 -48.51 75.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.919 0.39 . . . . 0.0 110.341 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -54.85 -55.87 25.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.805 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.442 ' HG3' ' HE1' ' A' ' 133' ' ' TYR . 87.3 tttt -71.82 -37.89 70.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.242 -0.89 . . . . 0.0 112.17 -172.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -88.68 -21.99 23.63 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -172.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.1 mt -99.77 -35.27 9.85 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.542 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -95.99 -7.03 37.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.917 0.389 . . . . 0.0 110.716 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.96 18.17 74.22 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.58 177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -154.64 141.22 18.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.49 156.5 90.21 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.06 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.29 129.38 34.3 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.096 2.531 . . . . 0.0 112.502 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -81.99 -46.31 14.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.949 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -128.58 168.4 15.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.802 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -83.09 -23.05 33.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -40.6 85.49 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 178.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.549 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 8.5 mm-40 -57.59 -49.48 76.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.409 172.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.81 -49.32 70.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.648 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.487 ' HA ' HD12 ' A' ' 100' ' ' LEU . 73.6 mt -63.12 -40.71 90.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -59.21 -46.38 88.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.225 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.549 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 68.2 m-70 -70.62 -32.58 69.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.722 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.487 HD12 ' HA ' ' A' ' 97' ' ' ILE . 30.3 mt -58.84 -53.58 56.83 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.019 0.437 . . . . 0.0 111.01 176.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -63.57 -38.29 90.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.473 -177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 111' ' ' ASP . 50.9 tp -61.99 -44.28 97.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.04 175.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -63.58 -44.23 94.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.21 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.65 -35.75 81.58 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -177.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -100.51 -41.91 6.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 -172.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -102.77 -36.12 8.39 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.804 0.335 . . . . 0.0 111.312 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.53 174.4 17.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.691 176.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -70.99 -24.2 62.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.302 . . . . 0.0 110.308 -179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 15.0 t70 -60.11 -40.29 89.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.85 175.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.68 -31.97 41.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.965 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.435 ' HA ' HD23 ' A' ' 102' ' ' LEU . 30.2 t70 -59.63 -52.27 66.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.315 0.579 . . . . 0.0 109.901 176.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.614 HD13 ' HB1' ' A' ' 59' ' ' ALA . 74.0 mt -68.99 -28.4 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.408 177.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.527 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 23.6 t70 -62.77 -25.72 68.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.957 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.2 m -56.81 -29.62 62.92 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.017 0.437 . . . . 0.0 110.933 178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -78.72 -51.75 9.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.343 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.38 -33.14 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-O 121.087 0.47 . . . . 0.0 110.966 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -75.59 -5.93 47.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.72 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.1 m -114.18 80.04 5.42 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.96 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -66.96 -29.86 40.26 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.66 2.24 . . . . 0.0 112.579 -173.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.3 -57.96 10.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.245 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -68.72 -25.9 64.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.963 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.726 HG21 ' HG3' ' A' ' 52' ' ' ARG . 84.9 m -69.0 -54.03 17.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.208 176.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 1.009 ' HA ' ' HB2' ' A' ' 127' ' ' ASP . 26.7 p30 -66.11 -21.2 66.34 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.075 -176.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.1 m -81.84 -24.59 35.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 112.199 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -121.1 -40.07 2.64 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -173.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -154.82 68.41 0.3 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.489 -0.863 . . . . 0.0 113.172 -175.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 1.009 ' HB2' ' HA ' ' A' ' 123' ' ' ASN . 36.7 t70 -103.64 -42.78 5.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 174.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -117.88 3.92 12.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.606 171.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.459 ' HA ' ' HA ' ' A' ' 4' ' ' GLU . 40.9 t -120.38 143.74 31.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.597 -177.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.6 t -81.96 126.96 73.79 Favored Pre-proline 0 C--N 1.318 -0.762 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 175.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -46.55 103.4 0.05 OUTLIER 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.222 2.615 . . . . 0.0 112.998 179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -97.91 162.52 13.2 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.184 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.442 ' HE1' ' HG3' ' A' ' 83' ' ' LYS . 9.8 t80 -79.2 116.63 19.59 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.044 0.449 . . . . 0.0 110.699 -175.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -132.28 107.84 8.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.254 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -88.32 -165.18 41.02 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.662 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 92.9 mt 68.82 -159.64 0.19 Allowed 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.894 0.477 . . . . 0.0 111.019 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -154.29 174.9 14.18 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 90.9 m-70 -48.04 133.24 15.04 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.179 0.299 . . . . 0.0 110.995 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 35.4 m170 -57.58 -50.22 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.107 -174.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -95.48 108.62 20.86 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.459 ' O ' ' HB2' ' A' ' 142' ' ' HIS . 23.7 p-80 -138.2 99.59 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.238 0.542 . . . . 0.0 111.477 -175.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 141' ' ' HIS . 20.7 t-80 175.74 -48.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.125 176.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.494 179.058 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.618 0.247 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -93.51 176.92 1.33 Allowed 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 122.728 2.286 . . . . 0.0 111.385 172.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.7 t -88.23 99.52 9.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -124.01 158.21 32.64 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.977 0.418 . . . . 0.0 111.082 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.649 ' HB2' HG21 ' A' ' 17' ' ' VAL . 29.5 tp -127.67 95.74 4.32 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 171.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.445 ' C ' ' H ' ' A' ' 8' ' ' ASN . 38.2 mtp180 -142.69 98.96 3.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.587 -0.278 . . . . 0.0 110.907 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.429 ' C ' ' H ' ' A' ' 9' ' ' TRP . . . 68.02 -33.71 0.23 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 124.013 0.821 . . . . 0.0 112.966 177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.445 ' H ' ' C ' ' A' ' 6' ' ' ARG . 8.3 t30 -79.18 25.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.322 0.582 . . . . 0.0 110.777 -176.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.567 ' HZ2' ' HA ' ' A' ' 45' ' ' ARG . 0.8 OUTLIER -50.63 124.12 10.23 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 124.08 0.952 . . . . 0.0 112.738 -178.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.7 p -151.22 178.9 8.78 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -62.47 -47.28 84.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.225 173.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -64.77 -46.4 82.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.443 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.536 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.5 m-20 -59.76 -56.01 27.16 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.63 ' O ' HG12 ' A' ' 18' ' ' ILE . 42.0 tp -58.08 -50.55 73.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.204 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.65 -36.49 83.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.434 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.7 m -65.41 -39.8 92.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.801 0.334 . . . . 0.0 110.151 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' ' 5' ' ' LEU . 70.4 t -61.07 -46.56 96.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.51 176.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.63 HG12 ' O ' ' A' ' 14' ' ' LEU . 11.6 mm -56.7 -51.7 63.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.376 0.608 . . . . 0.0 109.764 176.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 19' ' ' ARG . 44.6 ttm105 -61.9 -34.99 77.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.072 -175.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.49 -36.05 78.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.776 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 17' ' ' VAL . 48.4 t -73.23 -41.29 58.17 Favored 'Isoleucine or valine' 0 C--O 1.24 0.593 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.302 177.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -170.06 152.68 4.37 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.276 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' HG3' ' H ' ' A' ' 24' ' ' GLN . 3.0 tpm_? -177.26 -155.78 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.52 ' H ' ' HG3' ' A' ' 23' ' ' ARG . 5.8 mm100 -75.98 -42.62 47.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.215 -176.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.542 HG23 ' H ' ' A' ' 26' ' ' LEU . 34.0 m 53.5 -68.93 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.312 1.445 . . . . 0.0 113.471 -177.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.542 ' H ' HG23 ' A' ' 25' ' ' VAL . 83.9 mt -125.29 3.08 7.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.966 -0.459 . . . . 0.0 110.34 178.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.97 84.23 0.7 Allowed Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.669 177.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -83.96 7.89 16.92 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.941 0.4 . . . . 0.0 110.781 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -112.77 -171.82 1.93 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -112.9 1.34 15.44 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.912 0.387 . . . . 0.0 111.0 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.4 p -89.52 95.22 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.631 0.729 . . . . 0.0 111.041 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 93.9 mmm -126.47 -55.9 1.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.589 176.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 63.73 -175.71 0.16 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.43 -0.804 . . . . 0.0 112.322 177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.6 t 71.23 107.39 0.06 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.167 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -113.29 87.73 2.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.266 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HD3' ' HA ' ' A' ' 36' ' ' ARG . 29.7 mmt180 -128.31 -32.14 2.25 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.349 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 58' ' ' VAL . 77.6 mt -90.9 -3.65 57.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.258 -176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.16 -39.5 80.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.417 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.8 m -62.19 -41.13 98.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.345 176.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.6 91.78 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.734 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.01 -45.21 91.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 110.288 177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.4 t -61.72 -49.18 77.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.553 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 39' ' ' SER . 95.1 mt -62.55 -37.37 85.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.45 -178.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.2 tp -71.81 -39.59 69.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.659 0.266 . . . . 0.0 110.524 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.567 ' HA ' ' HZ2' ' A' ' 9' ' ' TRP . 45.9 ttm105 -64.61 -35.08 79.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.189 0.518 . . . . 0.0 110.138 176.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.2 -17.01 59.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.722 177.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.32 34.95 63.76 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.944 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -93.23 -31.46 14.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.891 0.377 . . . . 0.0 110.764 -178.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 42.7 pt -118.03 161.05 17.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.631 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.5 p -85.5 168.43 14.54 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.096 176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.552 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 87.8 t -69.32 -31.8 51.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.45 -176.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.54 ' HG3' ' HG3' ' A' ' 53' ' ' GLU . 0.4 OUTLIER -56.02 -36.5 68.02 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.923 0.392 . . . . 0.0 110.2 172.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.54 ' HG3' ' HG3' ' A' ' 52' ' ' ARG . 46.0 mt-10 -83.37 -27.3 29.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.71 -177.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' O ' HG23 ' A' ' 58' ' ' VAL . 87.5 t80 -64.44 -51.43 63.14 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 173.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.38 -32.33 57.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.032 176.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.596 ' HG3' HD13 ' A' ' 116' ' ' ILE . 40.5 ttt180 -55.8 -49.99 71.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.498 178.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.35 -43.41 98.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.911 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.509 ' HA ' HD21 ' A' ' 37' ' ' LEU . 48.1 t -62.99 -39.26 84.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.851 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.51 -25.67 54.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.594 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -96.61 17.06 17.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.969 0.414 . . . . 0.0 111.083 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 m -97.49 -167.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.876 173.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' HG2' ' H ' ' A' ' 67' ' ' LYS . 57.1 mt-10 -105.37 -101.56 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.735 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.1 tp 65.72 -71.69 0.08 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.142 0.577 . . . . 0.0 111.425 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 51.5 m-85 -104.07 102.04 11.8 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.695 ' HD3' ' HB2' ' A' ' 69' ' ' LEU . 64.2 mttp 69.39 134.94 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.475 0.484 . . . . 0.0 109.895 -172.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -60.23 108.4 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.576 0.226 . . . . 0.0 110.782 -174.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' H ' ' HG2' ' A' ' 62' ' ' GLU . 59.9 mttp 62.3 39.35 12.45 Favored 'General case' 0 CA--C 1.522 -0.112 0 O-C-N 124.006 0.816 . . . . 0.0 109.793 -178.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 69' ' ' LEU . 5.7 m-30 62.27 34.33 16.0 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.318 -176.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.703 ' HB3' HG21 ' A' ' 77' ' ' VAL . 2.7 tm? 79.3 109.16 0.07 Allowed 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.319 174.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -66.61 -26.01 66.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.255 -1.339 . . . . 0.0 112.656 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 157.39 108.14 0.26 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 119.909 -1.139 . . . . 0.0 113.675 178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.466 ' N ' HD11 ' A' ' 69' ' ' LEU . 60.5 t30 176.8 97.05 0.01 OUTLIER 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 173.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 60.18 77.2 0.33 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.625 0.726 . . . . 0.0 110.051 -172.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.514 ' O ' HG13 ' A' ' 78' ' ' ILE . 52.4 tp60 -61.43 -26.16 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.593 -173.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 78' ' ' ILE . 18.8 p -53.96 -38.34 64.86 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -68.12 -37.18 80.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 111.011 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.703 HG21 ' HB3' ' A' ' 69' ' ' LEU . 76.7 t -75.64 -31.35 22.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.319 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 75' ' ' THR . 81.0 mt -55.9 -47.21 80.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.164 0.506 . . . . 0.0 109.892 173.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.604 ' HB3' ' NZ ' ' A' ' 83' ' ' LYS . 14.8 mt-10 -61.01 -44.36 97.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.041 175.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.6 -50.26 74.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.317 -177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -61.89 -44.68 96.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.643 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 0.1 OUTLIER -58.49 -42.42 87.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.831 179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.604 ' NZ ' ' HB3' ' A' ' 79' ' ' GLU . 61.6 mttp -71.88 -25.23 61.85 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.637 0.236 . . . . 0.0 111.637 -177.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -95.36 -20.12 19.39 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.577 -0.449 . . . . 0.0 111.839 -178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 112' ' ' ILE . 96.5 mt -100.75 -39.19 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -177.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD21 ' CE1' ' A' ' 115' ' ' TYR . 64.2 mt -122.03 -18.27 7.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.916 0.389 . . . . 0.0 111.161 -178.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.512 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 77.87 14.61 82.17 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.117 -177.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' HB2' ' CE2' ' A' ' 91' ' ' TYR . 5.3 ptp180 -108.95 167.73 9.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.241 0.543 . . . . 0.0 111.035 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.73 153.67 42.87 Favored Pre-proline 0 C--N 1.317 -0.821 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 169.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.54 106.07 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.096 1.864 . . . . 0.0 111.894 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 88' ' ' ARG . 87.2 m-85 -82.47 -36.59 26.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.195 0.522 . . . . 0.0 109.996 -178.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -117.5 146.52 43.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.681 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 93' ' ' GLU . 1.0 OUTLIER -60.94 -27.86 68.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.403 177.124 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 m -55.67 -38.24 69.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.614 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.15 -42.07 89.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.138 0.494 . . . . 0.0 110.455 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 45.0 t -64.56 -52.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.406 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.44 -43.23 90.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.128 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -56.08 -46.86 78.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.024 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -72.34 -35.99 68.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.566 -177.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.7 mt -58.89 -51.34 70.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.696 0.284 . . . . 0.0 110.887 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -67.72 -38.79 84.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.726 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 111' ' ' ASP . 28.1 tp -57.69 -46.87 83.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.655 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -63.91 -50.61 68.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -68.89 -16.59 63.8 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -174.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -99.17 -57.8 2.08 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.07 -35.13 10.13 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.526 -175.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.2 174.81 13.74 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.432 -0.889 . . . . 0.0 112.395 177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -69.94 -25.25 63.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.787 0.327 . . . . 0.0 110.53 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 13.8 t70 -60.3 -40.64 91.2 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.36 71.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.165 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.545 ' HA ' HD23 ' A' ' 102' ' ' LEU . 12.3 t70 -52.85 -46.2 67.71 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.333 0.587 . . . . 0.0 110.101 178.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.495 HG23 HD11 ' A' ' 85' ' ' LEU . 59.6 mt -77.45 -41.47 29.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.383 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 2.2 t70 -68.92 -21.58 64.21 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.858 -171.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.9 p -47.89 -61.75 1.8 Allowed 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.627 ' HE1' ' HB3' ' A' ' 121' ' ' TYR . 24.9 t80 -65.91 -40.46 91.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.777 0.322 . . . . 0.0 111.298 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.596 HD13 ' HG3' ' A' ' 56' ' ' ARG . 67.1 mt -56.89 -37.13 52.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.531 -174.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -90.65 -27.78 18.81 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.6 p -56.24 110.0 2.04 Favored Pre-proline 0 N--CA 1.468 0.45 0 CA-C-O 121.225 0.536 . . . . 0.0 111.269 -176.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.65 -37.93 26.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.997 2.464 . . . . 0.0 113.029 -172.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 121' ' ' TYR . 7.4 pt-20 -60.9 -48.2 82.91 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 121.245 -0.182 . . . . 0.0 111.013 -177.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.627 ' HB3' ' HE1' ' A' ' 115' ' ' TYR . 3.9 m-85 -71.3 -32.94 69.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.549 0.214 . . . . 0.0 110.742 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 97.8 m -56.46 -42.62 78.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.116 0.484 . . . . 0.0 110.733 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -81.8 -28.58 33.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.396 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 43.1 m -79.22 -51.26 9.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.369 -178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -79.44 -38.8 33.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.929 0.395 . . . . 0.0 110.089 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 114.65 109.0 2.76 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.268 179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.552 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 9.9 t70 -54.05 -50.59 66.4 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.49 0.662 . . . . 0.0 110.264 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.479 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 62.5 m95 -87.49 27.74 1.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.196 -175.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 60.3 t -122.37 136.62 58.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.1 t -86.08 124.84 69.87 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.807 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.71 144.33 65.33 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.762 2.308 . . . . 0.0 112.594 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.512 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 20.4 p90 -127.66 145.36 50.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.892 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.441 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 48.5 p90 -78.95 148.93 32.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.747 0.308 . . . . 0.0 111.203 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -48.65 138.98 10.05 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.443 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 150.47 -117.43 0.84 Allowed Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 109.843 -1.303 . . . . 0.0 109.843 -175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.1 mp 71.83 -46.92 0.65 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 173.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' A' ' 139' ' ' HIS . 44.1 mt-10 -48.83 149.18 1.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.678 -175.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -76.02 27.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.693 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.438 ' H ' ' C ' ' A' ' 137' ' ' GLU . 38.9 t-80 -63.31 -29.94 71.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.292 0.568 . . . . 0.0 109.993 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -134.59 120.93 20.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 169.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -75.76 149.51 37.98 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.408 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -89.79 -165.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.721 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 23.8 p80 . . . . . 0 C--O 1.244 0.782 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 175.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.762 ' HB2' ' HD3' ' A' ' 2' ' ' PRO . 64.2 mtt . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 119.869 -0.11 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.762 ' HD3' ' HB2' ' A' ' 1' ' ' MET . 2.6 Cg_exo -76.86 148.68 28.55 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.948 1.765 . . . . 0.0 111.711 177.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.8 t -93.91 127.02 46.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -139.03 153.04 48.05 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.8 -176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -98.21 120.31 38.39 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -80.19 154.46 27.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.54 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.21 135.53 39.71 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 58.9 80.54 0.18 Allowed 'General case' 0 C--O 1.235 0.322 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -169.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -98.29 178.89 4.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.935 -170.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 m -132.66 167.0 20.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.717 175.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 15' ' ' GLU . 17.9 tp10 -53.75 -45.82 70.69 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.172 0.295 . . . . 0.0 111.343 -175.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.36 -48.75 76.19 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.249 0.547 . . . . 0.0 111.203 178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 17' ' ' VAL . 24.6 t70 -60.93 -49.33 77.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.306 -177.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.552 ' O ' HG13 ' A' ' 18' ' ' ILE . 57.1 tp -67.78 -42.46 81.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.443 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.526 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 0.8 OUTLIER -53.77 -44.83 70.37 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.212 0.53 . . . . 0.0 110.184 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -61.31 -42.46 98.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.676 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 21' ' ' VAL . 91.8 t -61.77 -46.28 96.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.0 178.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 14' ' ' LEU . 63.7 mt -59.13 -49.7 82.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.046 -178.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 79.3 mtp180 -63.12 -28.5 70.11 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.276 -177.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.29 -49.13 37.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.025 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 17' ' ' VAL . 48.0 t -61.48 -48.03 90.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 -177.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -145.36 155.1 42.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.091 0.472 . . . . 0.0 111.335 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -154.88 -69.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.91 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' H ' ' H ' ' A' ' 25' ' ' VAL . 36.3 tt0 179.06 -7.62 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.422 0.451 . . . . 0.0 111.035 179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.681 HG23 ' H ' ' A' ' 26' ' ' LEU . 3.8 m 40.82 -96.85 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 123.742 0.817 . . . . 0.0 113.005 -172.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.681 ' H ' HG23 ' A' ' 25' ' ' VAL . 93.8 mt -143.02 126.4 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.512 ' HA3' ' HB3' ' A' ' 30' ' ' TYR . . . -178.25 163.78 32.07 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.264 177.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -105.9 -64.5 1.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 176.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -86.0 -16.98 36.54 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 175.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.512 ' HB3' ' HA3' ' A' ' 27' ' ' GLY . 57.3 t80 -77.35 78.24 3.88 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.664 176.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 14.5 p -127.8 -14.8 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.614 176.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.2 mmt -78.3 172.18 13.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.494 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' ' 36' ' ' ARG . . . 73.66 1.23 3.88 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.808 0.693 . . . . 0.0 111.319 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.39 -26.15 67.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.072 0.463 . . . . 0.0 111.038 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -124.51 26.22 7.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.95 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.631 ' HB2' ' HA ' ' A' ' 33' ' ' ALA . 53.9 ttm-85 -63.76 -33.78 76.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.259 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.55 ' HB3' ' HB3' ' A' ' 40' ' ' ALA . 95.7 mt -92.5 49.69 1.52 Allowed 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.988 -173.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.1 t -59.87 -37.61 72.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.211 0.529 . . . . 0.0 109.974 175.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.668 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.0 m -58.76 -49.9 75.92 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.263 177.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.55 ' HB3' ' HB3' ' A' ' 37' ' ' LEU . . . -63.96 -40.63 96.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.763 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -52.99 -51.97 59.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.231 174.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.3 t -65.31 -40.02 93.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.022 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.4 mt -61.23 -44.03 97.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.997 0.427 . . . . 0.0 110.689 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.5 tp -67.49 -42.71 82.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.693 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 45' ' ' ARG . 55.6 mtt-85 -68.06 -28.58 67.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.798 -178.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -82.41 -11.9 58.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.256 0.551 . . . . 0.0 110.047 178.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.31 34.24 33.21 Favored Glycine 0 N--CA 1.449 -0.472 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.016 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -88.76 -43.58 11.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.679 0.276 . . . . 0.0 111.019 -177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 36.2 pt -116.74 156.32 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.131 -176.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.4 p -85.34 173.73 10.1 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.238 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 55' ' ' VAL . 75.2 t -64.79 -36.14 76.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.835 ' HD3' HG21 ' A' ' 122' ' ' THR . 12.2 ttp180 -53.86 -50.72 65.62 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.593 175.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.442 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 32.9 mt-10 -67.83 -41.88 82.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.75 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' O ' HG23 ' A' ' 58' ' ' VAL . 82.7 t80 -58.31 -46.5 86.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.557 HG11 ' HG2' ' A' ' 131' ' ' PRO . 93.3 t -66.57 -33.53 64.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.221 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 54.7 ttt180 -62.73 -39.04 92.85 Favored 'General case' 0 C--O 1.232 0.147 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.225 177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.23 77.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.683 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 54' ' ' PHE . 48.9 t -71.56 -39.01 69.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.473 177.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB2' HD21 ' A' ' 85' ' ' LEU . . . -62.73 -30.24 71.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.419 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 17.9 ptpt -105.79 15.84 26.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.348 -179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.2 p -76.76 -30.73 56.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 0.0 110.963 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' HG3' ' HD2' ' A' ' 64' ' ' TYR . 33.2 tt0 -84.66 99.41 10.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.298 0.57 . . . . 0.0 109.978 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.447 ' H ' ' HG ' ' A' ' 63' ' ' LEU . 1.3 pp -92.29 16.16 12.19 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.835 -176.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.456 ' HD2' ' HG3' ' A' ' 62' ' ' GLU . 62.8 m-85 -91.58 76.85 5.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.863 0.363 . . . . 0.0 110.11 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -54.51 -60.04 3.88 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.248 -174.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -66.36 6.15 0.47 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -172.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 67' ' ' LYS . 1.0 OUTLIER -92.21 -33.13 14.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 110.178 178.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -137.13 -32.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.731 -176.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.8 tp -94.03 146.69 23.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.6 -174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 75.9 t80 71.72 -49.03 0.68 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.972 0.795 . . . . 0.0 112.54 176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.31 -63.79 4.87 Favored Glycine 0 N--CA 1.451 -0.32 0 N-CA-C 114.604 0.601 . . . . 0.0 114.604 -172.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -144.23 124.69 13.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 117.305 0.552 . . . . 0.0 111.557 -171.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 58.71 94.36 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.883 0.739 . . . . 0.0 112.497 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -78.0 -26.55 48.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.417 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 14.8 m -61.05 -33.42 73.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.886 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 33.6 ttt85 -71.53 -29.41 64.74 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.143 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 43.8 t -70.72 -37.29 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.845 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 71.5 mt -59.53 -41.69 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.93 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.3 -40.07 85.02 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.401 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 95.2 mt -59.82 -54.15 49.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.95 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -65.24 -42.24 93.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 110.878 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.627 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 2.8 m-85 -59.36 -49.77 76.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -74.99 -15.21 60.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.48 -174.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -90.86 -43.76 9.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.685 0.279 . . . . 0.0 111.449 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.515 HD11 HG23 ' A' ' 112' ' ' ILE . 86.8 mt -96.99 -30.07 13.29 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -171.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD22 ' HE1' ' A' ' 121' ' ' TYR . 72.7 mt -113.69 -17.0 12.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.766 0.317 . . . . 0.0 110.703 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 69.17 20.0 74.55 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.276 -178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.627 ' O ' ' HB3' ' A' ' 82' ' ' TYR . 7.7 tpt180 -126.37 142.66 51.45 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' A' ' 90' ' ' PRO . . . -81.13 159.13 68.77 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 174.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.406 ' HD2' ' HB1' ' A' ' 89' ' ' ALA . 8.7 Cg_endo -50.57 107.21 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.702 2.268 . . . . 0.0 111.887 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -68.92 -50.05 52.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.122 -174.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -122.5 159.35 27.87 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.841 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.38 -22.02 63.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.603 0.24 . . . . 0.0 110.669 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.5 t -61.67 -37.72 85.12 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.14 175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -59.99 -40.25 88.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.306 0.574 . . . . 0.0 110.066 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.2 t -61.98 -57.08 13.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.443 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.35 -44.41 88.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.164 -178.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -58.68 -44.13 90.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.345 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -79.51 -30.61 41.99 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.47 -44.61 95.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.131 0.491 . . . . 0.0 109.68 173.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -60.12 -50.5 73.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.612 177.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.1 tp -57.58 -47.09 83.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.265 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -59.91 -47.98 83.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.578 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -70.36 -33.53 71.55 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -175.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -82.22 -57.95 3.16 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.589 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -95.04 -37.24 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -170.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 130.29 176.91 14.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.194 -1.003 . . . . 0.0 113.319 177.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -71.29 -39.05 71.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.712 -0.244 . . . . 0.0 111.306 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -68.29 -29.88 68.76 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.427 ' O ' ' HB3' ' A' ' 113' ' ' ASP . . . -74.22 -29.84 61.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.87 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.82 -56.11 17.89 Favored 'General case' 0 CA--C 1.517 -0.319 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 173.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.515 HG23 HD11 ' A' ' 85' ' ' LEU . 75.4 mt -54.59 -34.33 29.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.508 176.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.427 ' HB3' ' O ' ' A' ' 110' ' ' ALA . 26.5 t70 -57.81 -39.92 78.74 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.9 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.2 p -61.97 -24.63 67.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -174.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -86.17 -33.94 20.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.155 0.502 . . . . 0.0 110.42 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.522 ' O ' ' HD2' ' A' ' 52' ' ' ARG . 49.5 mm -93.36 -36.29 7.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.06 -172.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 119' ' ' PRO . 26.5 t70 -76.06 -19.07 58.91 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.745 -173.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.4 p -79.32 103.94 1.91 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-O 121.022 0.439 . . . . 0.0 111.143 -178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 117' ' ' ASP . 38.4 Cg_endo -67.74 -40.39 9.92 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.455 2.104 . . . . 0.0 111.988 -173.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.33 -39.13 93.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.209 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.444 ' HE1' HD22 ' A' ' 86' ' ' LEU . 6.6 t80 -75.94 -38.66 57.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.431 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.835 HG21 ' HD3' ' A' ' 52' ' ' ARG . 30.6 m -72.9 -45.78 56.33 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.198 179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.23 -36.5 82.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.609 0.242 . . . . 0.0 111.285 -176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.7 p -71.53 -18.67 62.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.628 0.251 . . . . 0.0 111.176 178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.432 ' CE2' ' HA ' ' A' ' 131' ' ' PRO . 73.0 t80 -94.26 -39.37 10.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 110.39 179.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.75 106.61 1.14 Allowed Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 111.676 -0.569 . . . . 0.0 111.676 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.77 -32.89 74.68 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.899 0.38 . . . . 0.0 111.34 -176.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.27 18.15 22.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.017 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.3 t -108.78 138.71 34.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.016 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 79.9 t -76.03 127.63 84.81 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.271 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.557 ' HG2' HG11 ' A' ' 55' ' ' VAL . 52.9 Cg_exo -53.8 107.17 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 123.019 2.479 . . . . 0.0 112.521 178.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.401 ' CD2' ' HB3' ' A' ' 2' ' ' PRO . 32.1 p90 -105.34 158.52 16.57 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.172 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -64.36 139.28 58.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.196 0.522 . . . . 0.0 110.53 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -75.19 -7.45 53.88 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.187 -173.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -84.31 52.46 4.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.226 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.49 -42.27 95.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.048 0.451 . . . . 0.0 110.708 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.75 149.62 22.67 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.471 177.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 37.96 70.05 0.21 Allowed 'General case' 0 N--CA 1.47 0.532 0 O-C-N 124.277 0.986 . . . . 0.0 112.251 -176.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -65.13 117.76 8.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.675 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -76.68 97.52 4.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.582 0.706 . . . . 0.0 111.805 -175.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -137.6 29.95 2.62 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -142.56 106.06 4.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.388 -175.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.33 -179.331 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.431 ' HB3' ' HD2' ' A' ' 2' ' ' PRO . 24.9 mmt . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 1' ' ' MET . 41.7 Cg_endo -67.81 155.08 71.27 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.166 1.91 . . . . 0.0 111.48 176.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 45.3 t -79.24 105.04 7.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -99.44 116.9 32.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.601 -176.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.513 HD13 HG21 ' A' ' 17' ' ' VAL . 50.6 tp -86.83 100.21 12.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 176.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.453 ' HG2' ' H ' ' A' ' 8' ' ' ASN . 57.7 ttp180 -76.92 139.0 40.06 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.25 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.16 -33.12 57.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.221 0.534 . . . . 0.0 110.988 -179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.453 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 27.2 t-20 -86.86 92.09 8.88 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 168.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 56.1 p-90 -126.89 162.27 26.32 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.366 0.603 . . . . 0.0 111.511 -174.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.2 t -113.65 167.49 10.57 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 168.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.8 -20.18 65.58 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.048 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -60.88 -45.01 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.194 0.521 . . . . 0.0 109.807 172.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.438 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.9 m-20 -68.48 -42.22 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.738 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.29 -49.15 78.73 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.362 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.68 -38.54 85.29 Favored 'General case' 0 C--O 1.227 -0.115 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.884 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.1 m -60.1 -42.58 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.984 0.421 . . . . 0.0 110.677 177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.513 HG21 HD13 ' A' ' 5' ' ' LEU . 77.2 t -64.13 -56.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.171 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.6 pt -65.3 -38.52 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 111.647 0.24 . . . . 0.0 111.647 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -71.79 -24.68 61.78 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -178.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.79 -32.58 59.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.005 0.431 . . . . 0.0 110.377 176.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 17' ' ' VAL . 57.8 t -79.14 -56.11 7.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.595 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -66.43 -75.98 0.09 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.434 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 65.48 -69.44 0.1 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.003 -174.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 62.81 -81.87 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.304 0.642 . . . . 0.0 111.308 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t 67.26 -61.16 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 C-N-CA 123.517 0.727 . . . . 0.0 111.477 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.7 tp -64.74 147.7 52.6 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.16 69.36 1.38 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 109.273 -1.531 . . . . 0.0 109.273 -167.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' O ' ' HB2' ' A' ' 29' ' ' ASP . 7.4 t30 -116.74 168.56 10.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.21 -0.495 . . . . 0.0 110.143 -169.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 5.7 m-20 77.84 -39.24 0.28 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.625 0.77 . . . . 0.0 111.23 176.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -100.94 152.76 20.17 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.14 132.25 34.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.816 0.341 . . . . 0.0 110.479 -177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.4 140.15 41.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.062 176.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -130.55 -167.03 1.77 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.798 -175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.9 p 52.59 73.8 0.32 Allowed 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 123.706 0.802 . . . . 0.0 111.176 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -67.62 128.98 38.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.68 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -121.99 -46.56 2.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.853 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.512 HD13 HG22 ' A' ' 58' ' ' VAL . 89.4 mt -92.75 1.82 57.07 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -175.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.598 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 87.4 t -67.85 -28.32 41.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.244 0.545 . . . . 0.0 109.963 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 p -61.53 -43.77 98.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.286 172.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.7 -50.69 70.14 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.163 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.598 ' HG2' ' HA ' ' A' ' 38' ' ' VAL . 10.2 pt-20 -64.08 -30.68 71.73 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.618 -0.265 . . . . 0.0 111.225 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m -68.84 -42.49 77.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.836 0.35 . . . . 0.0 110.222 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.17 -39.9 95.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.23 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.13 -41.79 98.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.274 176.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 37.8 ttm-85 -63.28 -30.57 71.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.004 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -85.29 -11.86 53.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.967 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.53 21.63 71.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.472 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -79.95 -38.2 32.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.888 0.375 . . . . 0.0 110.136 -177.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.8 pp -124.63 153.99 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.14 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.7 p -84.4 165.35 18.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.708 -178.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.458 ' HB ' ' HA ' ' A' ' 128' ' ' TRP . 57.9 t -60.93 -29.68 45.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.918 0.39 . . . . 0.0 110.181 177.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.602 ' HG2' HG23 ' A' ' 116' ' ' ILE . 17.1 ttp180 -53.63 -47.86 69.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.51 176.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.12 -42.95 88.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.369 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 58' ' ' VAL . 88.7 t80 -60.61 -51.75 68.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.402 -177.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.0 t -58.7 -42.66 85.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.886 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' HB2' HG21 ' A' ' 116' ' ' ILE . 42.1 ttp180 -59.97 -49.19 78.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.531 179.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.81 86.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.503 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.512 HG22 HD13 ' A' ' 37' ' ' LEU . 60.8 t -67.61 -42.99 87.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.911 0.386 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.39 -42.35 96.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.76 -177.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 20.0 ptmt -93.91 16.13 15.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.795 0.331 . . . . 0.0 111.258 -177.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.5 t -85.83 168.56 14.15 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-O 120.855 0.359 . . . . 0.0 110.34 179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -71.87 79.36 0.88 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.218 0.533 . . . . 0.0 111.613 -175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -125.87 -47.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.237 0.542 . . . . 0.0 110.449 175.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.526 ' HA ' ' HD2' ' A' ' 68' ' ' PHE . 43.8 p90 -67.13 -19.24 65.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.972 -176.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -55.52 -30.81 61.36 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -172.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.98 -18.92 55.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.63 0.604 . . . . 0.0 112.63 -173.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -155.4 -56.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.912 -173.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.526 ' HD2' ' HA ' ' A' ' 64' ' ' TYR . 17.5 m-85 -74.4 75.91 1.9 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.068 -172.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.0 tp 177.31 -30.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.542 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -94.54 152.45 18.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.251 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.41 -108.09 1.74 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.652 -0.703 . . . . 0.0 112.441 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -161.53 175.81 11.72 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 63.76 94.92 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 O-C-N 123.934 0.771 . . . . 0.0 111.733 177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -66.16 -25.44 66.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.626 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.7 p -57.27 -39.81 76.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.874 175.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 40.4 ttm180 -56.73 -47.37 80.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.844 178.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.19 -46.69 95.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.567 HD12 HD23 ' A' ' 100' ' ' LEU . 50.1 mt -65.15 -39.29 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.147 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 31.5 mt-10 -64.66 -25.01 67.77 Favored 'General case' 0 C--O 1.225 -0.204 0 C-N-CA 121.091 -0.244 . . . . 0.0 111.012 177.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 90.7 mt -79.92 -41.99 25.0 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-O 120.705 0.288 . . . . 0.0 110.614 177.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -56.1 -50.7 70.31 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 173.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.484 ' HA ' ' HB2' ' A' ' 85' ' ' LEU . 10.2 m-30 -73.42 -19.79 60.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.824 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.877 ' HD3' ' HB2' ' A' ' 88' ' ' ARG . 22.7 tptp -58.96 -32.58 69.76 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 171.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -89.08 -25.83 21.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.198 176.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.543 ' O ' ' HB3' ' A' ' 131' ' ' PRO . 95.0 mt -101.24 -53.47 3.01 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -171.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.5 mt -114.04 9.29 17.29 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.413 ' HA3' ' H ' ' A' ' 134' ' ' ARG . . . 81.87 41.12 9.88 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.21 -0.995 . . . . 0.0 111.774 -177.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.877 ' HB2' ' HD3' ' A' ' 83' ' ' LYS . 16.2 ttt180 79.53 -82.73 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.142 1.377 . . . . 0.0 112.385 178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.414 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . . . -81.71 126.65 75.15 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.961 -165.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 18.5 Cg_endo -61.63 177.79 0.84 Allowed 'Trans proline' 0 C--O 1.236 0.403 0 C-N-CA 123.125 2.55 . . . . 0.0 111.857 174.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.507 ' HE2' HD12 ' A' ' 136' ' ' LEU . 32.2 t80 -97.61 -51.05 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.218 -174.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.626 ' O ' HG23 ' A' ' 96' ' ' VAL . 29.7 t70 -117.89 149.01 41.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.798 0.332 . . . . 0.0 111.011 -173.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.555 ' O ' HG12 ' A' ' 97' ' ' ILE . 30.6 tt0 -69.77 -41.51 75.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.426 -176.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.6 t -66.1 -36.17 82.46 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.541 ' HB3' ' O ' ' A' ' 92' ' ' ASP . 1.5 tm-20 -56.36 -49.42 74.48 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.078 172.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.691 ' HA ' ' CE1' ' A' ' 99' ' ' HIS . 54.3 t -52.65 -51.85 31.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 176.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 93' ' ' GLU . 33.0 mm -57.14 -39.49 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.874 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -55.59 -52.76 62.68 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.218 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.691 ' CE1' ' HA ' ' A' ' 96' ' ' VAL . 8.0 p80 -82.43 -16.42 49.03 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 120.038 -0.665 . . . . 0.0 111.708 -179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.567 HD23 HD12 ' A' ' 78' ' ' ILE . 19.2 mt -58.36 -48.98 78.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.927 0.394 . . . . 0.0 110.025 170.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.98 -46.24 85.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.062 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.521 ' HB3' ' HA ' ' A' ' 99' ' ' HIS . 59.0 tp -55.34 -47.07 76.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.358 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.402 ' HD1' ' HA ' ' A' ' 108' ' ' PHE . 10.6 t80 -60.53 -48.71 80.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.866 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.64 -37.98 59.23 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.972 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -83.47 -53.5 5.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -176.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -90.72 -36.41 14.33 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.401 -174.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 132.63 166.26 11.45 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.168 -1.015 . . . . 0.0 113.092 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.402 ' HA ' ' HD1' ' A' ' 103' ' ' TYR . 0.8 OUTLIER -61.74 -33.0 73.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 111.314 178.449 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -67.1 -36.18 81.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.398 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.46 76.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.704 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.492 ' OD1' ' HB2' ' A' ' 99' ' ' HIS . 14.9 t70 -58.73 -42.65 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.36 0.6 . . . . 0.0 110.095 176.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 85' ' ' LEU . 85.0 mt -71.83 -35.51 55.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.333 179.636 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.446 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 97.8 m-20 -68.53 -26.73 65.57 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 90.0 p -56.48 -59.12 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.714 0.292 . . . . 0.0 111.651 -174.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -61.94 -37.12 83.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.596 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.602 HG23 ' HG2' ' A' ' 52' ' ' ARG . 44.0 mm -73.89 -47.05 44.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.834 -174.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.65 -24.45 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.795 0.331 . . . . 0.0 111.141 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 m -79.71 115.32 52.81 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.498 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -55.78 -55.95 2.58 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.309 2.673 . . . . 0.0 113.484 -172.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.61 -32.0 73.46 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -65.1 -44.79 87.66 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.013 0.435 . . . . 0.0 110.244 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.495 HG21 ' HG3' ' A' ' 52' ' ' ARG . 87.1 m -70.07 -36.4 74.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.308 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -61.15 -34.31 74.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.865 -177.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.3 p -70.95 -10.52 59.84 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -113.39 -38.72 4.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.797 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 130.99 128.82 3.0 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.93 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -69.77 -24.97 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.311 0.577 . . . . 0.0 110.812 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.458 ' HA ' ' HB ' ' A' ' 51' ' ' VAL . 80.8 m95 -122.25 19.14 10.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.15 -178.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.53 132.42 61.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.796 -174.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.573 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 96.1 t -73.83 127.87 87.65 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.225 177.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.543 ' HB3' ' O ' ' A' ' 85' ' ' LEU . 93.0 Cg_exo -47.43 140.63 15.51 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 123.846 3.031 . . . . 0.0 113.894 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.64 ' CE1' ' HA2' ' A' ' 135' ' ' GLY . 26.9 p90 -110.2 174.6 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.918 178.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.475 ' HE2' ' HE2' ' A' ' 83' ' ' LYS . 5.0 t80 -83.95 141.03 31.54 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.413 ' H ' ' HA3' ' A' ' 87' ' ' GLY . 8.3 tpm_? 60.82 74.02 0.46 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.589 0.709 . . . . 0.0 111.055 -177.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.64 ' HA2' ' CE1' ' A' ' 132' ' ' TYR . . . -69.83 119.02 8.66 Favored Glycine 0 N--CA 1.445 -0.745 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.584 175.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.507 HD12 ' HE2' ' A' ' 91' ' ' TYR . 53.8 tp -110.8 106.22 15.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.698 0.285 . . . . 0.0 110.702 -177.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.6 131.82 40.23 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 174.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -88.13 117.53 27.09 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.628 0.728 . . . . 0.0 111.471 -171.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -116.01 164.16 14.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -99.8 -66.98 0.87 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.2 t60 -171.33 120.64 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -178.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -64.05 135.43 56.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.259 0.552 . . . . 0.0 111.021 -173.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 . . . . . 0 C--O 1.244 0.815 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.099 179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 120.657 0.265 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -88.16 176.43 3.74 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 123.027 2.485 . . . . 0.0 111.834 174.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -82.65 112.13 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.479 ' HB3' HG22 ' A' ' 129' ' ' VAL . 10.9 pt-20 -139.61 153.34 47.34 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.751 -178.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' HB2' HG11 ' A' ' 17' ' ' VAL . 62.2 tp -87.03 143.62 27.25 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.154 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 -99.74 151.92 20.69 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.96 -39.17 87.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.87 81.2 4.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.628 170.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -99.21 155.79 17.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.423 0.63 . . . . 0.0 111.489 -176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.519 ' H ' ' HB3' ' A' ' 13' ' ' ASP . 19.9 m -107.99 168.92 8.94 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.102 174.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.29 -55.72 31.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.788 0.327 . . . . 0.0 110.785 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -64.87 -37.63 88.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.499 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.519 ' HB3' ' H ' ' A' ' 10' ' ' SER . 32.8 t70 -62.03 -48.65 79.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.7 tp -59.24 -42.73 91.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.361 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -61.61 -37.18 82.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.274 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -62.87 -40.77 98.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.815 0.34 . . . . 0.0 110.621 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.538 HG11 ' HB2' ' A' ' 5' ' ' LEU . 59.0 t -67.5 -47.51 80.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.555 178.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 76.2 mt -59.45 -44.92 93.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.682 178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 ttp180 -61.4 -33.88 74.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.4 87.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.378 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.63 -56.01 11.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.132 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.464 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -160.35 143.98 13.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.158 0.504 . . . . 0.0 111.103 179.531 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.8 tpt85 -151.36 -37.55 0.13 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.489 177.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.456 ' HG3' ' H ' ' A' ' 25' ' ' VAL . 7.1 tp-100 -160.51 -134.52 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 -178.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.456 ' H ' ' HG3' ' A' ' 24' ' ' GLN . 15.9 t 67.26 48.01 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 122.017 0.913 . . . . 0.0 109.966 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.5 mt -109.05 -47.97 3.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.627 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.3 -164.8 36.9 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -177.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -111.21 -32.22 6.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.028 0.414 . . . . 0.0 111.287 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -166.78 102.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 0.0 111.403 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -171.59 80.87 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.079 175.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t 48.69 83.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 CA-C-N 115.279 -0.873 . . . . 0.0 112.158 175.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.2 103.38 0.77 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.441 . . . . 0.0 110.57 178.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.57 155.91 34.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.673 -176.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.1 m -79.17 175.52 10.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.836 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.643 ' HG3' ' HB ' ' A' ' 38' ' ' VAL . 7.6 tp10 -74.6 98.17 3.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.279 0.561 . . . . 0.0 110.228 -176.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 36' ' ' ARG . 16.2 ttt180 -94.54 -31.78 13.76 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.429 -176.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.4 mt -93.68 20.72 7.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.944 178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.643 ' HB ' ' HG3' ' A' ' 35' ' ' GLU . 10.5 p -57.6 -31.95 40.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.244 0.545 . . . . 0.0 110.611 177.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.528 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 17.8 m -63.31 -38.07 89.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.589 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.71 -50.56 56.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -67.42 -28.66 68.09 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.623 -178.554 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.7 t -70.09 -43.61 70.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.85 0.357 . . . . 0.0 110.486 177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 39' ' ' SER . 92.7 mt -62.81 -40.26 96.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.802 0.334 . . . . 0.0 110.567 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.3 tp -68.59 -37.32 79.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.058 0.456 . . . . 0.0 110.27 176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -65.22 -26.63 68.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.018 -178.456 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -98.98 3.75 47.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.74 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.27 21.8 72.36 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.986 -0.552 . . . . 0.0 113.187 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -79.41 -39.69 31.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.983 0.392 . . . . 0.0 110.293 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 49.6 pt -108.69 149.57 11.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.285 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.3 p -86.67 172.09 10.48 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.477 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.85 -35.85 67.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.199 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.472 ' HG3' HG23 ' A' ' 116' ' ' ILE . 2.9 ttp180 -48.55 -49.96 34.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.807 172.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 24.6 mt-10 -80.99 -33.55 33.65 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.205 -175.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 75.4 t80 -62.58 -53.22 57.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.526 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.5 t -61.22 -40.23 85.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 0.0 109.995 177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 38.1 ttt180 -55.58 -56.62 18.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.222 179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.49 -55.97 27.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.575 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.2 -42.77 87.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.15 -29.17 61.67 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -173.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.598 ' HB2' ' HB2' ' A' ' 109' ' ' ASP . 19.0 ptmt -107.37 7.34 29.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.166 -0.614 . . . . 0.0 112.11 -173.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.8 p -98.66 -92.18 0.26 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -103.01 26.22 8.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.062 -0.517 . . . . 0.0 112.386 -164.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 61.2 mt -78.32 96.78 5.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.095 0.474 . . . . 0.0 110.095 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.0 m-85 -74.9 155.75 37.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.355 -177.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.543 ' HB3' HD23 ' A' ' 69' ' ' LEU . 23.1 pttp -83.92 143.99 29.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.28 -178.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 175.02 -66.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.978 -1.01 . . . . 0.0 108.889 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -75.68 -23.21 56.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.356 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.5 ' HB2' HG13 ' A' ' 77' ' ' VAL . 36.2 p90 -142.8 162.2 36.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.653 -1.158 . . . . 0.0 108.851 174.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD23 ' HB3' ' A' ' 65' ' ' LYS . 46.9 tp 66.08 89.59 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 O-C-N 124.057 0.848 . . . . 0.0 110.873 -179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -166.76 -71.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.748 -178.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.98 28.0 0.35 Allowed Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.465 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 1.1 m-20 -96.43 19.0 12.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.343 -0.429 . . . . 0.0 110.039 -174.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 72' ' ' ASN . 92.6 m-85 73.06 131.27 0.04 OUTLIER 'General case' 0 C--O 1.235 0.301 0 O-C-N 124.13 0.894 . . . . 0.0 109.886 -170.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -62.66 -33.94 76.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.189 -175.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.1 p -56.23 -51.47 68.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 10.9 mmm180 -53.84 -44.29 70.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.187 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.5 HG13 ' HB2' ' A' ' 68' ' ' PHE . 41.2 t -63.09 -45.14 99.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.642 HG21 ' HB3' ' A' ' 99' ' ' HIS . 84.4 mt -64.71 -53.99 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.987 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.75 -31.45 70.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.46 -178.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 33.0 mt -59.43 -48.45 81.58 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.177 0.513 . . . . 0.0 110.5 174.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -62.83 -48.78 77.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -60.34 -39.57 87.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.502 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.08 -35.39 78.54 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.897 0.38 . . . . 0.0 110.763 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -84.39 -18.52 35.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.435 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.8 mt -100.87 -27.4 13.34 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.0 mt -100.81 -22.9 14.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.523 0.201 . . . . 0.0 111.333 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.503 ' HA3' ' O ' ' A' ' 132' ' ' TYR . . . 67.94 27.07 73.75 Favored Glycine 0 N--CA 1.452 -0.299 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -173.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -154.08 -168.07 2.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.82 -174.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.17 158.07 75.26 Favored Pre-proline 0 C--N 1.321 -0.665 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.16 140.95 60.1 Favored 'Trans proline' 0 C--O 1.237 0.433 0 C-N-CA 122.762 2.308 . . . . 0.0 112.038 177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -89.28 -37.52 14.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.438 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.621 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 30.9 t70 -125.67 158.57 34.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.162 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -79.61 -28.09 41.0 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 121.14 -0.224 . . . . 0.0 111.451 -176.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.2 m -68.83 -24.73 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.575 0.226 . . . . 0.0 111.334 -177.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 13.8 pt-20 -73.5 -27.48 61.39 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.81 -45.62 87.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.239 0.542 . . . . 0.0 109.696 174.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 62.4 mt -59.33 -38.19 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.807 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -63.22 -40.07 96.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.714 175.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.642 ' HB3' HG21 ' A' ' 78' ' ' ILE . 60.3 m170 -57.92 -50.49 73.17 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.18 0.514 . . . . 0.0 109.93 176.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.3 mt -55.72 -46.3 77.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.699 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.25 -44.58 75.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.871 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' A' ' 111' ' ' ASP . 56.9 tp -59.32 -42.21 90.89 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.485 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -57.0 -43.95 82.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.08 176.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.61 -33.34 64.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.558 -177.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -79.1 -58.79 3.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.852 0.358 . . . . 0.0 111.362 -177.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -100.11 -36.55 9.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.937 -170.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 135.33 175.39 13.82 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.042 -1.075 . . . . 0.0 113.337 178.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -69.37 -42.13 75.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.048 0.452 . . . . 0.0 110.623 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.598 ' HB2' ' HB2' ' A' ' 60' ' ' LYS . 4.1 p30 -69.45 -24.34 63.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.902 179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.82 -37.33 59.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.04 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.497 ' HA ' HD23 ' A' ' 102' ' ' LEU . 21.3 t70 -64.35 -51.57 62.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 109.837 175.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 27.0 mt -54.45 -31.74 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.166 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.495 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 14.1 t70 -72.63 -20.66 61.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.268 -0.878 . . . . 0.0 112.006 -173.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.4 p -52.48 -42.61 64.4 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -171.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -60.35 -43.28 96.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 111.471 -178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.472 HG23 ' HG3' ' A' ' 52' ' ' ARG . 50.9 mt -89.33 -11.63 10.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.709 0.766 . . . . 0.0 110.052 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.46 -30.59 59.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.222 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.2 m -90.81 105.81 13.38 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.391 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -58.68 -45.86 27.02 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.863 2.375 . . . . 0.0 112.927 -174.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -59.34 -41.8 90.0 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.37 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -61.89 -53.75 51.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.099 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 29.2 m -62.59 -47.7 82.67 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.966 0.412 . . . . 0.0 110.982 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -63.9 -47.7 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.273 -175.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.4 m -77.66 -18.92 56.22 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -172.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -92.22 -39.28 11.63 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.152 177.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.26 100.89 0.23 Allowed Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.835 -0.698 . . . . 0.0 111.889 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -68.83 -31.44 70.42 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.064 0.459 . . . . 0.0 110.096 -179.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -99.68 3.26 45.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.479 HG22 ' HB3' ' A' ' 4' ' ' GLU . 49.4 t -101.43 139.71 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.033 0.445 . . . . 0.0 111.812 -171.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.2 t -86.77 127.92 58.3 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.365 174.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -50.15 128.99 24.02 Favored 'Trans proline' 0 CA--C 1.529 0.263 0 C-N-CA 123.676 2.917 . . . . 0.0 114.013 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.503 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 18.4 p90 -130.28 166.91 19.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.045 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -73.73 124.94 26.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.382 0.61 . . . . 0.0 110.85 -177.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -86.78 141.69 28.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.836 -178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 101.95 37.5 3.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.742 171.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.506 ' H ' HD23 ' A' ' 136' ' ' LEU . 2.7 pt? -70.8 -30.75 67.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.275 0.559 . . . . 0.0 110.392 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -82.13 -19.49 39.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.408 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -95.4 9.41 40.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.103 -172.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 51.2 m80 -127.93 140.99 51.67 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 175.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -139.97 110.62 6.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.102 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 57.92 31.6 20.8 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.994 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.3 m80 66.52 10.74 7.59 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.188 179.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 77.6 t60 . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.885 -0.579 . . . . 0.0 109.467 177.371 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.558 ' N ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 1' ' ' MET . 50.8 Cg_endo -72.12 179.36 5.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 CA-C-N 120.467 1.203 . . . . 0.0 109.191 161.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.9 t -72.14 97.89 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 C-N-CA 119.603 -0.839 . . . . 0.0 109.926 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -131.9 151.23 51.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.058 178.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.596 HD13 HG21 ' A' ' 17' ' ' VAL . 34.6 tp -106.14 116.81 32.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.905 0.383 . . . . 0.0 110.144 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -80.82 160.17 24.89 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.096 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.28 -54.9 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.755 0.312 . . . . 0.0 111.007 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -96.28 88.39 4.77 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 173.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 44.6 p-90 -98.36 159.08 15.18 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.291 -178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m -103.46 176.12 5.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 172.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 44.8 mm-40 -59.64 -38.84 82.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.649 0.261 . . . . 0.0 110.651 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.46 -38.4 77.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.914 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.55 ' HB2' ' HB2' ' A' ' 9' ' ' TRP . 5.8 m-20 -64.31 -54.01 39.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.846 176.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.5 ' O ' HG12 ' A' ' 18' ' ' ILE . 52.5 tp -56.3 -46.81 79.63 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.856 -178.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 53.6 mm-40 -52.99 -57.2 11.14 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.36 177.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 50.6 m -57.56 -40.02 78.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.722 -176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.596 HG21 HD13 ' A' ' 5' ' ' LEU . 50.2 t -59.93 -62.36 1.09 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.511 0 CA-C-O 120.91 0.386 . . . . 0.0 111.35 179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 14' ' ' LEU . 16.6 pt -69.23 -27.39 34.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.317 -175.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 22' ' ' TYR . 42.4 ttt85 -72.22 -31.12 65.56 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.315 0.384 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.18 -37.18 78.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.92 176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.28 -61.43 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.293 174.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.512 ' HE1' ' HZ ' ' A' ' 54' ' ' PHE . 0.1 OUTLIER -162.15 -154.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -176.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -110.88 139.26 46.35 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 121.924 -0.485 . . . . 0.0 109.809 172.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.863 ' HG2' ' H ' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -71.5 -74.49 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.26 -171.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.863 ' H ' ' HG2' ' A' ' 24' ' ' GLN . 15.4 t -122.96 160.65 25.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -175.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.1 mt -72.32 85.29 1.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.96 -87.45 1.26 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.445 -175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -172.23 -40.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.8 t70 64.21 -165.02 0.24 Allowed 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.817 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -125.56 -33.52 2.77 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 66.6 t -134.92 96.98 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.619 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -70.29 136.08 49.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 178.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.97 23.93 13.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.44 -175.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.683 ' HA ' HG11 ' A' ' 38' ' ' VAL . 35.4 t 62.35 74.37 0.44 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.881 -177.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -69.58 -89.55 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.911 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -145.29 128.56 16.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD21 ' HB3' ' A' ' 61' ' ' SER . 97.6 mt 68.75 7.68 6.28 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 171.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.683 HG11 ' HA ' ' A' ' 34' ' ' SER . 14.8 p -65.87 -26.71 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.585 0.707 . . . . 0.0 109.687 176.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.2 t -69.06 -40.26 78.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.09 175.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.57 86.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.904 -178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -60.23 -48.78 80.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.91 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 p -66.98 -40.73 87.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.577 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.87 -35.0 79.2 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 121.139 -0.224 . . . . 0.0 110.917 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.0 tp -71.02 -38.32 72.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.126 0.488 . . . . 0.0 109.921 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' O ' ' HZ2' ' A' ' 9' ' ' TRP . 41.5 ttp180 -61.94 -46.64 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.647 178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -67.89 -29.37 68.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.13 0.49 . . . . 0.0 110.703 175.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.59 24.23 28.84 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.008 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -83.23 -28.6 29.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.088 0.47 . . . . 0.0 109.964 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.556 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 48.0 pt -121.73 153.47 25.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.609 ' HB ' ' O ' ' A' ' 127' ' ' ASP . 59.6 p -92.93 -179.18 5.04 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.542 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.502 HG11 ' HA ' ' A' ' 130' ' ' VAL . 61.5 t -65.14 -33.92 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.044 178.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.439 ' HD2' HG21 ' A' ' 122' ' ' THR . 27.7 ttt180 -55.12 -48.23 73.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.353 174.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.556 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 6.2 mm-40 -72.0 -37.71 69.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.746 -179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.512 ' HZ ' ' HE1' ' A' ' 22' ' ' TYR . 82.8 t80 -57.75 -54.32 48.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.272 177.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.78 -38.58 82.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.938 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.553 ' HD3' HG21 ' A' ' 116' ' ' ILE . 30.8 ttp85 -57.63 -46.19 84.47 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.904 0.383 . . . . 0.0 110.497 178.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.76 -43.33 69.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.085 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.459 HG22 HD13 ' A' ' 37' ' ' LEU . 69.2 t -62.94 -50.63 78.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.99 -177.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -71.55 -34.94 70.43 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -175.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 37.0 ttmt -90.55 12.45 18.7 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.887 0.375 . . . . 0.0 111.595 -177.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.552 ' HB3' HD21 ' A' ' 37' ' ' LEU . 81.2 p -74.48 -13.4 60.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.001 -0.437 . . . . 0.0 111.136 -178.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 57.52 79.27 0.2 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.5 -176.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.77 156.21 20.99 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.377 173.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.427 ' HD2' ' HG2' ' A' ' 66' ' ' GLU . 64.9 t80 -52.9 131.99 36.51 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' HA ' ' HE1' ' A' ' 68' ' ' PHE . 28.1 mmtp -75.71 77.54 2.68 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.127 -172.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HG2' ' HD2' ' A' ' 64' ' ' TYR . 35.3 mt-10 -87.97 -161.44 0.72 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.828 178.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -72.94 80.05 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.913 0.387 . . . . 0.0 110.843 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.413 ' HE1' ' HA ' ' A' ' 65' ' ' LYS . 28.9 p90 -152.06 -34.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.568 173.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.729 HD12 HG11 ' A' ' 77' ' ' VAL . 54.2 tp -96.13 -1.55 48.31 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.659 0.742 . . . . 0.0 109.93 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -137.29 137.2 38.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.603 -175.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.17 -131.55 2.38 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.733 -0.746 . . . . 0.0 111.925 -178.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -80.3 -52.12 8.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.612 0.244 . . . . 0.0 111.542 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -131.22 142.32 50.16 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.851 0.358 . . . . 0.0 110.911 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -83.13 -26.09 31.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.682 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.42 HG22 HD11 ' A' ' 100' ' ' LEU . 22.0 p -60.16 -41.48 92.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.068 177.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.0 ttt-85 -72.35 -22.83 61.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.731 -178.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.729 HG11 HD12 ' A' ' 69' ' ' LEU . 62.6 t -66.31 -49.14 78.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 177.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.533 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 73.5 mt -61.91 -40.58 87.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.805 175.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.01 -39.2 81.15 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 177.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.02 -54.95 40.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.045 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -67.24 -42.91 83.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.361 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.533 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 2.2 t80 -56.31 -48.99 75.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.825 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.525 ' HE3' ' HB2' ' A' ' 89' ' ' ALA . 77.8 tttt -69.04 -32.39 71.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.21 -175.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -82.75 -36.37 25.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.078 -178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 115' ' ' TYR . 97.7 mt -83.46 -53.91 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 -176.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.7 mt -82.81 -11.16 58.48 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.163 -0.336 . . . . 0.0 111.155 -177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.718 ' CA ' ' HA ' ' A' ' 133' ' ' TYR . . . 70.59 15.12 72.97 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.254 -179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.48 ' O ' ' HA ' ' A' ' 83' ' ' LYS . 44.4 mtm105 -127.86 138.53 52.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.581 -0.309 . . . . 0.0 110.331 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.525 ' HB2' ' HE3' ' A' ' 83' ' ' LYS . . . -80.81 129.13 69.25 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 168.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 4.0 Cg_exo -40.86 108.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.554 2.836 . . . . 0.0 112.496 -178.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -84.91 -34.03 22.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.064 -173.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -117.71 141.12 48.76 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.404 -0.817 . . . . 0.0 109.247 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -64.29 -23.4 67.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.587 0.232 . . . . 0.0 110.687 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.0 m -60.88 -35.3 76.25 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.529 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -61.28 -43.74 98.38 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.342 0.592 . . . . 0.0 109.744 178.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 39.7 t -70.46 -51.14 40.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.789 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 70.4 mt -59.74 -39.44 79.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.178 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.02 -51.26 68.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.616 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.459 ' HD1' ' CG ' ' A' ' 111' ' ' ASP . 36.9 m-70 -69.64 -37.65 76.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.311 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 75' ' ' THR . 82.7 mt -56.09 -49.19 74.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.977 0.418 . . . . 0.0 110.551 175.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -61.67 -48.32 81.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.293 -178.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 111' ' ' ASP . 58.9 tp -62.86 -42.39 99.73 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.112 -178.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -58.07 -41.65 83.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.01 0.433 . . . . 0.0 110.747 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -69.93 -33.85 72.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.16 179.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -76.6 -58.5 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.817 -176.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -105.9 -37.06 6.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.88 -171.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.46 -173.44 15.99 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.309 -0.948 . . . . 0.0 113.028 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -64.5 -45.58 86.66 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.718 0.407 . . . . 0.0 111.968 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -64.41 -32.34 73.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 111.161 -173.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.46 -33.08 42.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.231 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.515 ' HA ' HD23 ' A' ' 102' ' ' LEU . 18.6 t70 -63.59 -47.58 80.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.283 0.563 . . . . 0.0 109.575 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.432 ' O ' ' HB3' ' A' ' 115' ' ' TYR . 32.1 mm -57.57 -37.84 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.635 173.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.82 -40.63 97.08 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.384 -176.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 91.7 p -63.39 -29.63 70.89 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.112 0.482 . . . . 0.0 110.931 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.537 ' CZ ' ' HB3' ' A' ' 85' ' ' LEU . 24.5 t80 -62.88 -34.62 77.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.769 178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.553 HG21 ' HD3' ' A' ' 56' ' ' ARG . 40.0 mm -92.79 -24.07 5.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.286 0.565 . . . . 0.0 110.574 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.44 -19.43 59.47 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.761 -173.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.541 ' HB2' ' CD1' ' A' ' 121' ' ' TYR . 5.1 p -78.8 111.01 16.33 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-O 121.175 0.512 . . . . 0.0 110.915 -178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.19 -52.34 2.13 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.038 2.492 . . . . 0.0 113.541 -172.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.62 -34.71 78.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.781 -175.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.541 ' CD1' ' HB2' ' A' ' 118' ' ' SER . 81.9 m-85 -68.0 -34.24 76.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.939 177.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.439 HG21 ' HD2' ' A' ' 52' ' ' ARG . 66.0 m -65.63 -44.19 87.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.098 173.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -59.58 -25.17 64.37 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.336 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 m -62.84 -19.31 63.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.387 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.402 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 99.0 m-85 -121.67 -40.31 2.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.822 0.344 . . . . 0.0 111.043 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 103.3 -167.63 17.0 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.676 -177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.609 ' O ' ' HB ' ' A' ' 50' ' ' THR . 1.6 m-20 -103.38 -11.28 17.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -121.26 10.29 10.59 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.791 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 125' ' ' PHE . 94.0 t -114.22 135.22 54.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 176.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.52 ' O ' ' HD1' ' A' ' 132' ' ' TYR . 68.6 t -83.59 128.2 64.85 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.426 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.95 117.24 3.19 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.045 2.496 . . . . 0.0 111.851 175.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.52 ' HD1' ' O ' ' A' ' 130' ' ' VAL . 40.9 p90 -130.51 158.4 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.432 -174.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.718 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 40.9 p90 -69.31 148.4 49.78 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -42.57 132.62 3.6 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.782 0.676 . . . . 0.0 111.792 -174.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -78.51 57.48 4.15 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.502 178.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 10.2 mp 61.42 -93.36 0.04 OUTLIER 'General case' 0 C--O 1.235 0.332 0 C-N-CA 123.08 0.552 . . . . 0.0 110.619 -174.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -178.91 171.33 1.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.371 0.419 . . . . 0.0 110.347 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 50.1 70.96 0.44 Allowed 'General case' 0 C--O 1.235 0.331 0 O-C-N 124.195 0.934 . . . . 0.0 112.412 168.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -71.65 -27.92 63.4 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -68.36 132.52 47.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 172.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -74.68 -74.24 0.21 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -169.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -128.9 144.6 51.22 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.789 -175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 69.3 m-70 . . . . . 0 C--O 1.247 0.955 0 O-C-N 123.868 0.73 . . . . 0.0 110.916 178.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.48 1.027 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.52 170.33 10.44 Favored 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.07 2.513 . . . . 0.0 111.63 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.9 t -126.34 106.61 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.752 ' HB3' HG22 ' A' ' 129' ' ' VAL . 1.2 pm0 -111.15 155.25 23.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.291 0.567 . . . . 0.0 111.307 176.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.1 tp -91.54 127.83 37.14 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 173.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -85.36 153.15 22.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.024 -175.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.36 92.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.925 0.393 . . . . 0.0 110.632 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -97.79 85.17 3.49 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 172.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -104.36 164.82 11.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.312 -176.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.483 ' HB3' ' OD1' ' A' ' 13' ' ' ASP . 23.2 t -125.82 177.22 6.42 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -66.09 -41.14 91.05 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -173.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 8.8 pt-20 -72.58 -37.31 68.21 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -173.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' A' ' 10' ' ' SER . 0.9 OUTLIER -74.39 -34.08 63.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.456 176.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.71 -44.41 96.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.233 0.54 . . . . 0.0 109.604 171.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.98 -38.92 71.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.104 176.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 m -66.2 -42.44 88.82 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.711 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 21' ' ' VAL . 96.2 t -59.81 -52.36 61.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.41 177.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.6 mt -58.9 -43.42 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.793 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 23' ' ' ARG . 37.2 ttm105 -62.12 -39.34 92.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.309 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.474 ' HA ' ' OE1' ' A' ' 24' ' ' GLN . . . -65.84 -29.49 69.97 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 111.248 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 17' ' ' VAL . 54.7 t -80.12 -35.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.344 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -100.54 -91.71 0.3 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -175.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 4.6 mmp_? -130.56 131.42 45.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.739 0.304 . . . . 0.0 111.342 -170.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.474 ' OE1' ' HA ' ' A' ' 20' ' ' ALA . 13.9 mm100 -90.52 63.4 5.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.311 175.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.2 t 72.08 -55.12 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.455 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.3 tp -69.75 134.46 48.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.045 0.45 . . . . 0.0 110.563 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.64 86.11 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -100.31 -15.08 18.15 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.685 0.278 . . . . 0.0 111.44 -173.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -131.31 162.74 29.38 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.401 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 70.75 -2.02 2.41 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.589 0.755 . . . . 0.0 111.734 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 p -88.87 102.5 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.658 0.742 . . . . 0.0 110.876 179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 58.2 ttp -128.23 129.48 46.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.252 178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 68.7 113.56 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.996 0.81 . . . . 0.0 110.197 -174.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 p -74.03 70.3 1.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.338 -174.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -157.43 135.82 11.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.46 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -101.85 75.6 1.56 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 176.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mp 44.24 74.98 0.11 Allowed 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.012 0.82 . . . . 0.0 111.326 -175.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.667 ' HA ' ' HG2' ' A' ' 41' ' ' GLU . 11.0 p -61.44 -27.49 42.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.136 -175.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.671 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.3 t -66.14 -45.58 80.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.952 0.406 . . . . 0.0 109.984 177.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.26 -44.88 64.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.543 -176.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.667 ' HG2' ' HA ' ' A' ' 38' ' ' VAL . 1.0 OUTLIER -62.49 -40.45 96.73 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.24 -177.281 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.523 ' N ' ' HG3' ' A' ' 41' ' ' GLU . 19.1 p -69.65 -35.71 75.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.728 0.299 . . . . 0.0 110.816 -178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 39' ' ' SER . 91.6 mt -61.88 -50.62 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 175.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.81 -37.08 83.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.044 0.449 . . . . 0.0 110.351 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -62.6 -36.85 84.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.744 -178.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -92.39 -0.75 57.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.86 0.362 . . . . 0.0 111.362 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.3 26.08 60.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.543 -0.836 . . . . 0.0 112.562 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -71.17 -41.38 70.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.332 0.587 . . . . 0.0 109.942 176.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.763 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 37.6 pt -125.0 171.0 14.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.378 -177.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.455 HG22 ' CZ2' ' A' ' 128' ' ' TRP . 68.4 p -104.37 -175.7 2.87 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.383 178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.517 HG23 ' CE3' ' A' ' 128' ' ' TRP . 79.8 t -63.51 -33.14 59.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.595 0.235 . . . . 0.0 110.529 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' A' ' 56' ' ' ARG . 74.1 mtt180 -51.49 -56.06 15.42 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.97 174.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.763 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 4.7 mm-40 -67.38 -30.17 69.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.251 -175.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.575 ' O ' HG23 ' A' ' 58' ' ' VAL . 52.5 t80 -65.6 -54.79 22.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.009 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.32 -34.08 66.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.107 0.48 . . . . 0.0 109.899 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.514 ' HG3' HG13 ' A' ' 116' ' ' ILE . 66.0 ttt180 -54.6 -47.63 73.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.624 177.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.62 74.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.448 -178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 54' ' ' PHE . 21.4 t -67.91 -18.66 23.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.146 0.498 . . . . 0.0 111.565 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.74 -48.88 8.41 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HA ' HD13 ' A' ' 112' ' ' ILE . 18.2 ptmt -90.11 -20.83 22.68 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.929 -179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 m 56.47 -171.15 0.08 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 169.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -94.57 169.6 10.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.148 174.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.2 tp 72.55 -13.87 0.61 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.75 0.42 . . . . 0.0 112.074 173.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 71.83 -62.59 0.45 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.461 0.704 . . . . 0.0 111.018 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.535 ' HG2' HD23 ' A' ' 69' ' ' LEU . 63.2 mttp -96.96 65.69 2.1 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -79.03 59.88 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.547 0.689 . . . . 0.0 110.327 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.3 mmmt 69.45 -32.87 0.24 Allowed 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 114.857 -1.065 . . . . 0.0 113.787 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -65.71 -31.62 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.021 0.438 . . . . 0.0 110.563 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.535 HD23 ' HG2' ' A' ' 65' ' ' LYS . 47.5 tp -97.12 75.54 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -100.71 -8.1 23.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.117 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.82 -131.9 10.71 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.04 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.3 m120 64.01 -80.08 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.076 0.551 . . . . 0.0 111.109 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -114.22 101.89 9.61 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.497 ' O ' HG12 ' A' ' 78' ' ' ILE . 57.5 tp60 -62.85 -33.91 76.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.921 -173.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -38.57 89.7 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.899 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.48 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 30.8 mtp180 -70.52 -33.48 71.23 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.947 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.504 ' HA ' HD12 ' A' ' 80' ' ' LEU . 59.1 t -62.61 -33.04 57.55 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.373 0.606 . . . . 0.0 109.739 176.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.577 HD12 ' CD2' ' A' ' 99' ' ' HIS . 34.6 mm -63.09 -50.67 78.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.664 176.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.96 -38.79 83.51 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.128 -179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 77' ' ' VAL . 95.3 mt -55.82 -48.17 75.89 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.979 178.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -65.84 -39.31 90.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.697 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.512 ' HD2' ' HD2' ' A' ' 88' ' ' ARG . 22.3 m-85 -63.27 -39.08 93.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.777 0.323 . . . . 0.0 111.373 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -80.45 -15.25 57.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.585 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -87.19 -41.11 13.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.827 178.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.544 HD11 HG23 ' A' ' 112' ' ' ILE . 18.7 mt -93.72 -53.94 3.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -173.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.9 mt -99.64 -1.87 36.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.702 0.287 . . . . 0.0 111.043 -172.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.544 ' HA3' ' HA ' ' A' ' 133' ' ' TYR . . . 58.56 33.7 73.03 Favored Glycine 0 N--CA 1.45 -0.408 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -174.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.512 ' HD2' ' HD2' ' A' ' 82' ' ' TYR . 18.3 mtt180 -87.68 149.48 24.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 112.094 -173.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.449 ' HA ' ' HD2' ' A' ' 90' ' ' PRO . . . -110.61 114.66 54.63 Favored Pre-proline 0 C--N 1.315 -0.918 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 161.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' A' ' 89' ' ' ALA . 6.0 Cg_exo -36.9 111.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.167 3.245 . . . . 0.0 113.422 -170.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -78.23 -47.64 17.54 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.451 -173.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 95' ' ' GLU . 38.5 t70 -144.86 160.35 41.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.145 177.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.34 -21.28 65.65 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.666 -177.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.9 p -58.65 -42.39 88.26 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.652 ' HG2' ' O ' ' A' ' 92' ' ' ASP . 8.9 pt-20 -64.88 -39.77 94.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.073 0.463 . . . . 0.0 109.848 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.422 HG13 HG21 ' A' ' 78' ' ' ILE . 74.8 t -62.67 -47.32 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.367 177.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.481 ' HA ' HD12 ' A' ' 100' ' ' LEU . 80.8 mt -59.99 -44.91 95.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.956 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -64.96 -32.85 74.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.988 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.577 ' CD2' HD12 ' A' ' 78' ' ' ILE . 8.4 t60 -76.24 -33.8 59.2 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 97' ' ' ILE . 86.8 mt -58.52 -44.01 89.38 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.958 0.409 . . . . 0.0 110.107 173.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.74 -45.36 94.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.104 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 111' ' ' ASP . 29.1 tp -61.23 -41.47 96.93 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 120.8 0.333 . . . . 0.0 110.305 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.555 ' CE1' ' HB3' ' A' ' 108' ' ' PHE . 73.6 t80 -58.04 -44.86 87.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.909 178.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -75.77 -39.48 56.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.234 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.78 -52.82 10.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.108 -173.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -112.82 -36.67 5.08 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.014 -175.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 127.42 163.08 11.33 Favored Glycine 0 C--O 1.228 -0.232 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.696 177.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.555 ' HB3' ' CE1' ' A' ' 103' ' ' TYR . 45.6 p90 -64.97 -24.83 67.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.894 0.378 . . . . 0.0 111.399 -177.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 6.3 p-10 -72.04 -32.05 66.74 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.17 -34.25 49.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.954 176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.505 ' HA ' HD23 ' A' ' 102' ' ' LEU . 71.5 m-20 -47.67 -62.52 1.41 Allowed 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 121.697 0.761 . . . . 0.0 109.885 171.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.544 HG23 HD11 ' A' ' 85' ' ' LEU . 96.8 mt -61.09 -38.97 80.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.572 -178.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 2.9 t70 -71.98 -33.6 68.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.601 -173.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.4 p -59.49 -35.99 75.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.796 0.332 . . . . 0.0 111.725 -175.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -73.39 -16.68 61.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.636 -174.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.514 HG13 ' HG3' ' A' ' 56' ' ' ARG . 48.6 mm -71.94 -26.4 25.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.268 0.556 . . . . 0.0 110.204 178.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -107.35 -11.33 15.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.211 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.3 p -55.52 132.68 71.04 Favored Pre-proline 0 C--O 1.238 0.466 0 CA-C-O 121.085 0.469 . . . . 0.0 111.433 -176.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -56.09 -38.9 94.11 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.974 2.45 . . . . 0.0 112.484 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -63.17 -36.98 85.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.714 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.506 ' HE1' ' HG3' ' A' ' 131' ' ' PRO . 79.4 t80 -60.35 -55.7 30.4 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 177.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 20.0 m -63.25 -43.97 96.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.019 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -65.36 -47.08 77.69 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.089 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 17.4 m -84.54 -45.0 13.03 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.2 -40.07 8.96 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.761 -0.375 . . . . 0.0 111.387 -175.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 107.21 -161.67 13.66 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.076 -174.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -103.88 -51.13 3.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.719 0.295 . . . . 0.0 111.772 -177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.517 ' CE3' HG23 ' A' ' 51' ' ' VAL . 80.8 m95 -95.96 10.1 38.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.572 -177.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.752 HG22 ' HB3' ' A' ' 4' ' ' GLU . 61.4 t -96.07 129.48 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.169 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 86.9 t -71.91 125.2 91.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.013 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.506 ' HG3' ' HE1' ' A' ' 121' ' ' TYR . 17.1 Cg_exo -65.22 102.37 0.45 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 122.681 2.254 . . . . 0.0 111.194 177.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -89.4 133.11 34.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.715 -176.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.544 ' HA ' ' HA3' ' A' ' 87' ' ' GLY . 35.7 t80 -55.77 122.77 12.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 173.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.552 HH11 ' HG3' ' A' ' 134' ' ' ARG . 21.4 mmm-85 -62.81 -22.47 66.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.233 -172.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.419 ' O ' ' HB2' ' A' ' 136' ' ' LEU . . . 67.55 52.0 33.04 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -174.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 135' ' ' GLY . 95.9 mt 71.29 149.63 0.09 Allowed 'General case' 0 C--O 1.234 0.259 0 O-C-N 124.366 0.686 . . . . 0.0 110.563 -172.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -71.64 107.61 4.58 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.684 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -79.24 129.53 34.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.652 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -63.38 136.42 57.62 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -48.1 108.54 0.17 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -174.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -179.09 -26.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.653 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.1 129.72 36.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.642 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.386 -175.392 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.464 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 16.7 tpt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 2.5 Cg_endo -81.71 155.32 18.13 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.067 2.511 . . . . 0.0 111.888 177.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.2 t -84.69 119.11 33.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.462 ' HG3' HG22 ' A' ' 129' ' ' VAL . 35.5 tt0 -125.86 137.13 53.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.912 0.387 . . . . 0.0 110.712 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.541 ' O ' ' HB3' ' A' ' 128' ' ' TRP . 28.5 tp -108.56 99.04 8.47 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.432 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 16.3 ptt180 -105.01 166.68 10.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.47 -177.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.88 46.0 0.16 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 121.265 0.555 . . . . 0.0 112.333 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -153.75 26.77 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.432 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 69.2 p-90 -82.22 144.57 30.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.751 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 m -94.82 160.3 14.66 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 169.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -60.09 -35.91 76.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 118.036 0.38 . . . . 0.0 110.348 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.92 -40.51 84.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.454 176.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.41 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.5 m-20 -72.06 -30.61 65.31 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.683 ' HG ' ' HG2' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -61.04 -43.69 98.5 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 174.09 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.01 -33.78 76.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.545 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.4 m -62.18 -44.0 97.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.497 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.526 HG21 HD13 ' A' ' 5' ' ' LEU . 90.4 t -62.03 -53.15 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.331 -178.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 pt -63.68 -39.3 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.944 -0.303 . . . . 0.0 111.438 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -20.0 61.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.477 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.46 -38.48 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 175.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.96 -42.48 79.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.569 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -82.29 -0.85 47.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.198 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 66.88 163.92 0.19 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.109 -0.95 . . . . 0.0 112.345 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -98.14 77.6 2.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.037 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 50.7 t -74.56 -53.17 17.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.881 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -177.98 -52.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.45 -47.41 0.23 Allowed Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -132.95 -178.54 5.0 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 172.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 30' ' ' TYR . 28.7 t70 -120.25 17.88 12.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.989 0.423 . . . . 0.0 110.288 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.418 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 89.7 m-85 71.56 -55.07 0.67 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.546 -177.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.54 154.49 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.911 -0.404 . . . . 0.0 109.911 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 67.8 mtt -65.4 99.5 0.42 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.164 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.07 -16.85 13.71 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.872 176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.3 m 73.41 -46.28 0.63 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.123 178.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 58.25 73.9 0.45 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 36' ' ' ARG . 46.6 mtt180 -93.8 -133.29 0.16 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.017 -173.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.499 HD21 ' OG ' ' A' ' 61' ' ' SER . 80.9 mt 64.37 27.03 13.66 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.319 0.581 . . . . 0.0 110.831 -176.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -62.23 -25.94 38.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.801 178.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 6.4 m -64.39 -42.9 95.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.162 176.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.93 -36.74 64.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.3 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -59.38 -46.32 88.99 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.869 177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 p -70.08 -43.78 70.42 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.094 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' SER . 82.7 mt -62.96 -28.66 70.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.538 0.209 . . . . 0.0 111.09 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.62 -46.75 65.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.137 177.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.683 ' HG2' ' HG ' ' A' ' 14' ' ' LEU . 63.6 mtt180 -65.31 -33.66 76.5 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.138 0.494 . . . . 0.0 110.749 177.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.497 ' OD1' ' HE3' ' A' ' 48' ' ' LYS . 2.0 t-20 -82.51 -7.35 59.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.829 -177.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.07 32.98 77.72 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.984 -0.553 . . . . 0.0 113.156 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.497 ' HE3' ' OD1' ' A' ' 46' ' ' ASN . 93.7 mttt -96.96 -16.18 20.75 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 122.608 -0.348 . . . . 0.0 111.271 179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 2.7 pp -131.81 155.35 41.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 110.459 -0.2 . . . . 0.0 110.459 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.48 ' OG1' ' HG2' ' A' ' 53' ' ' GLU . 76.4 p -89.14 172.72 8.88 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 55' ' ' VAL . 86.2 t -65.02 -34.01 67.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.669 0.271 . . . . 0.0 110.825 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.721 ' HD2' ' CE2' ' A' ' 121' ' ' TYR . 61.9 mtm-85 -68.7 -32.01 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.313 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG2' ' OG1' ' A' ' 50' ' ' THR . 60.1 mm-40 -66.79 -37.8 85.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.125 0.488 . . . . 0.0 110.042 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 58' ' ' VAL . 52.9 t80 -62.2 -45.34 93.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.564 176.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 51' ' ' VAL . 59.3 t -63.12 -40.9 90.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.893 177.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.515 ' HB2' HG12 ' A' ' 116' ' ' ILE . 9.3 ttm180 -55.21 -46.81 75.93 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.213 0.53 . . . . 0.0 110.047 178.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.95 -47.96 83.66 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.749 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' PHE . 63.8 t -59.74 -42.05 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.167 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.576 ' HB2' HD21 ' A' ' 85' ' ' LEU . . . -64.37 -28.77 69.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.771 -179.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -101.8 16.11 26.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.49 . . . . 0.0 110.721 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.499 ' OG ' HD21 ' A' ' 37' ' ' LEU . 63.1 m -109.13 -164.68 0.96 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.188 -0.32 . . . . 0.0 111.856 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 67.53 -173.69 0.19 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.524 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.6 mp -73.24 126.55 30.33 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 61.2 m-85 -63.35 146.19 54.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.697 -0.482 . . . . 0.0 109.697 -179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 64' ' ' TYR . 97.5 mttt 66.89 -139.82 0.14 Allowed 'General case' 0 C--O 1.235 0.291 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 68.09 -72.99 0.09 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.12 0.568 . . . . 0.0 111.262 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -105.71 -24.22 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 174.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -101.76 -170.7 1.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.732 ' HB3' HG21 ' A' ' 77' ' ' VAL . 2.0 tm? -167.79 135.99 2.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.209 0.528 . . . . 0.0 111.169 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.641 ' N ' HD22 ' A' ' 69' ' ' LEU . 36.6 p90 -131.84 131.09 42.52 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.804 169.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 90.53 44.28 4.64 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.163 -0.542 . . . . 0.0 112.499 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.698 ' HB3' HD11 ' A' ' 69' ' ' LEU . 7.0 t-20 -171.47 -151.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -68.67 105.85 2.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.285 0.564 . . . . 0.0 110.355 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -83.94 -24.28 30.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.622 -173.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.5 p -43.88 -60.5 1.8 Allowed 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -173.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.531 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 44.4 mtm105 -60.59 -35.43 76.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.496 -179.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.732 HG21 ' HB3' ' A' ' 69' ' ' LEU . 42.5 t -65.07 -43.86 95.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.511 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 82' ' ' TYR . 74.9 mt -62.85 -37.83 80.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.34 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.08 -30.65 71.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.7 177.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 91.1 mt -73.09 -54.0 9.63 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -52.59 -49.57 64.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.941 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.416 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 1.8 t80 -62.58 -44.85 95.29 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.924 -177.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -72.79 -19.1 61.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.225 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -94.74 -53.71 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.76 0.314 . . . . 0.0 111.281 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 59' ' ' ALA . 73.7 mt -77.68 -37.39 49.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.175 -170.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.681 ' HG ' ' HD2' ' A' ' 115' ' ' TYR . 84.5 mt -102.52 -10.69 19.12 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.099 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 63.44 21.55 64.67 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.004 -0.544 . . . . 0.0 113.354 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -132.64 162.84 30.31 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.435 -0.45 . . . . 0.0 110.486 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . . . -101.5 153.52 37.81 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.422 -173.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 89' ' ' ALA . 14.2 Cg_exo -68.56 95.75 0.47 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.748 2.299 . . . . 0.0 111.675 176.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.9 t80 -90.18 -21.07 22.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.274 0.559 . . . . 0.0 110.224 -178.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -127.73 144.92 51.05 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.589 ' O ' HG12 ' A' ' 97' ' ' ILE . 12.1 pt-20 -69.98 -25.74 63.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.717 0.294 . . . . 0.0 110.434 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.0 m -59.15 -31.99 69.47 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.824 -176.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -59.18 -49.29 78.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.107 0.479 . . . . 0.0 109.938 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.44 -45.31 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.294 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 93' ' ' GLU . 45.1 mm -56.02 -47.97 79.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.001 0.429 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -62.26 -42.86 99.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.114 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -72.49 -30.47 64.56 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.107 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.55 -50.03 75.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.009 0.433 . . . . 0.0 110.015 173.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -63.43 -50.14 70.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.709 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.23 -47.96 77.44 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.87 0.367 . . . . 0.0 111.091 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -56.16 -48.97 75.28 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.967 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.453 ' HA ' ' OE1' ' A' ' 104' ' ' GLU . 6.0 mm-40 -73.57 -17.73 61.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.748 -177.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.424 HD22 ' HA ' ' A' ' 105' ' ' ASN . 9.5 m120 -66.97 -55.14 15.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.757 0.313 . . . . 0.0 111.051 176.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 110' ' ' ALA . 30.7 mt-10 -120.56 -37.93 2.95 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -172.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 141.21 -177.17 21.22 Favored Glycine 0 C--O 1.238 0.366 0 C-N-CA 120.077 -1.059 . . . . 0.0 113.458 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -63.49 -33.72 76.2 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.317 -0.442 . . . . 0.0 110.592 -177.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.95 -44.23 97.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 106' ' ' GLU . . . -59.74 -41.11 90.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.996 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.08 -59.15 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.181 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 42.0 mm -51.66 -49.01 36.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -178.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.5 -22.34 64.54 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -174.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.7 p -72.07 -34.94 69.1 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.648 -0.421 . . . . 0.0 111.097 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.681 ' HD2' ' HG ' ' A' ' 86' ' ' LEU . 83.8 m-85 -57.52 -53.6 56.3 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-O 120.886 0.374 . . . . 0.0 111.138 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.515 HG12 ' HB2' ' A' ' 56' ' ' ARG . 2.7 mp -69.21 -31.02 48.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.799 -172.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.52 -16.27 37.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.77 0.319 . . . . 0.0 111.177 -175.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.5 t -59.19 129.14 86.2 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.084 0.469 . . . . 0.0 111.504 -176.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . 0.534 ' O ' HG22 ' A' ' 122' ' ' THR . 27.9 Cg_endo -62.56 -39.64 43.38 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 123.13 2.554 . . . . 0.0 112.727 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.29 -26.72 68.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.207 0.527 . . . . 0.0 110.309 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.721 ' CE2' ' HD2' ' A' ' 52' ' ' ARG . 23.4 t80 -75.6 -39.89 57.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.652 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.534 HG22 ' O ' ' A' ' 119' ' ' PRO . 2.8 t -74.44 -24.94 59.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.958 0.409 . . . . 0.0 110.311 179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -77.53 -33.35 54.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.454 178.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.2 p -81.18 -41.94 21.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.702 -177.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.416 ' O ' ' HB ' ' A' ' 129' ' ' VAL . 94.2 m-85 -108.35 -38.82 5.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -177.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 102.62 -168.98 18.92 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.143 -1.027 . . . . 0.0 112.446 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.458 ' HA ' ' NH1' ' A' ' 52' ' ' ARG . 16.4 m-20 -95.71 -22.23 17.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.749 0.309 . . . . 0.0 111.084 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.541 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 89.2 m95 -118.41 10.17 12.62 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -171.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.462 HG22 ' HG3' ' A' ' 4' ' ' GLU . 97.4 t -112.17 135.36 51.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.822 -179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.93 124.25 89.42 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.199 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.43 ' HG3' ' OH ' ' A' ' 121' ' ' TYR . 37.9 Cg_endo -65.29 109.15 1.3 Allowed 'Trans proline' 0 N--CA 1.464 -0.235 0 C-N-CA 122.804 2.336 . . . . 0.0 112.231 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -105.8 145.3 31.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 14.6 p90 -62.93 129.06 38.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.274 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -69.09 93.37 0.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.721 177.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -80.71 159.25 42.01 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.703 -0.76 . . . . 0.0 111.402 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 96.7 mt -69.48 109.58 4.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.228 0.537 . . . . 0.0 110.479 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 64.45 88.81 0.1 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.252 -1.34 . . . . 0.0 110.785 -175.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 12.0 p-80 -82.44 22.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.572 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -91.51 -17.89 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.08 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -124.9 129.28 50.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.845 -174.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -72.01 118.01 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.412 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -91.99 -67.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.154 -177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 C--O 1.244 0.792 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.752 179.868 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 ttt . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.78 37.03 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.627 2.218 . . . . 0.0 112.583 -178.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.5 t -77.39 103.23 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.771 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.65 145.97 47.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.756 -177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' HB2' HG21 ' A' ' 17' ' ' VAL . 33.6 tp -100.98 116.24 32.37 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 175.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.53 ' HD2' ' N ' ' A' ' 6' ' ' ARG . 3.4 mpt_? -80.76 161.92 24.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.322 -177.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.08 81.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.07 0.462 . . . . 0.0 110.302 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -104.09 46.93 0.89 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.751 176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.2 p-90 -62.35 156.28 22.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.253 -176.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.9 t -106.53 167.41 9.87 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 171.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -57.13 -33.51 67.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 110.255 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -59.28 -45.68 90.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.466 177.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -68.96 -43.44 75.0 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.252 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD11 ' HG ' ' A' ' 44' ' ' LEU . 33.1 tp -57.32 -51.88 67.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.728 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.29 -30.94 71.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.418 179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.9 m -63.2 -47.73 81.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.023 0.439 . . . . 0.0 110.178 175.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 5' ' ' LEU . 94.7 t -64.75 -47.66 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.853 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 22' ' ' TYR . 70.4 mt -61.39 -48.66 87.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.279 -178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 ttp180 -61.33 -33.45 73.64 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.914 0.387 . . . . 0.0 111.202 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.67 -39.76 84.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.284 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -83.88 -32.79 8.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.499 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.507 ' HB2' ' O ' ' A' ' 18' ' ' ILE . 0.2 OUTLIER -77.82 57.84 1.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.349 -179.643 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -90.88 31.03 1.11 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.389 0.614 . . . . 0.0 110.073 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -61.13 160.51 10.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.829 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 p -123.84 -9.55 7.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.485 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.802 HD13 ' H ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -91.46 157.5 17.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.3 -177.368 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.98 -91.06 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.718 179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 63.4 105.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.188 0.595 . . . . 0.0 111.691 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 t70 64.06 -170.42 0.19 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.076 179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -130.62 -15.15 3.56 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.5 t -75.75 120.15 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.173 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.82 76.38 0.37 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.189 0.931 . . . . 0.0 110.175 -177.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -105.38 95.7 6.0 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 174.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.8 p -83.87 135.05 34.65 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -169.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 67.84 22.37 8.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 114.855 -1.066 . . . . 0.0 112.117 171.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -74.83 119.47 19.06 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 172.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.813 ' H ' HD23 ' A' ' 37' ' ' LEU . 1.7 pt? -78.82 51.96 1.17 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.389 0.614 . . . . 0.0 112.201 -172.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.1 p -63.99 -25.41 38.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.458 0.647 . . . . 0.0 109.385 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.448 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 9.0 p -64.27 -39.02 93.09 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.357 175.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.39 95.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.322 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -60.54 -39.3 87.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.55 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.5 t -65.1 -44.93 87.19 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.418 177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 39' ' ' SER . 96.0 mt -63.02 -33.24 75.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.094 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 14' ' ' LEU . 38.3 tp -71.51 -41.2 69.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.472 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 59.8 ttm-85 -66.1 -29.58 69.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.98 0.419 . . . . 0.0 111.21 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -91.05 8.11 37.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.078 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.78 34.03 87.3 Favored Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 113.178 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -92.53 -41.12 10.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.753 0.311 . . . . 0.0 111.061 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.562 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 43.0 pt -106.47 155.87 7.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.595 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.3 p -90.83 174.17 7.6 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.125 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.504 HG23 ' CE3' ' A' ' 128' ' ' TRP . 90.9 t -61.47 -32.83 54.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.773 ' HD2' HG21 ' A' ' 122' ' ' THR . 3.9 mmp_? -61.39 -49.36 77.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.243 176.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.562 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 58.9 mm-40 -63.47 -42.36 98.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.05 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.406 ' HZ ' HG23 ' A' ' 18' ' ' ILE . 76.9 t80 -63.31 -50.73 68.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.674 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.12 -42.48 90.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.554 178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.9 ' HD3' HG13 ' A' ' 116' ' ' ILE . 17.9 ttp180 -61.41 -42.17 98.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.64 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.49 87.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.169 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.467 HG22 HD11 ' A' ' 37' ' ' LEU . 56.9 t -66.65 -45.88 87.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.804 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.34 78.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.628 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.526 ' HD2' ' HG2' ' A' ' 56' ' ' ARG . 7.2 mtpp -76.19 -13.41 60.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.576 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.0 p -110.53 -92.95 0.44 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.196 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 65.0 -58.66 0.26 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.538 0.735 . . . . 0.0 110.415 -173.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.4 tp 77.68 161.96 0.22 Allowed 'General case' 0 N--CA 1.462 0.159 0 C-N-CA 124.074 0.949 . . . . 0.0 111.142 175.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 69.91 -174.1 0.18 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.408 -179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.678 ' HG2' ' HB2' ' A' ' 70' ' ' TYR . 14.0 mptt -112.52 -94.79 0.45 Allowed 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 171.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.615 ' HG3' ' HD2' ' A' ' 67' ' ' LYS . 11.3 tp10 57.04 92.66 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 O-C-N 123.395 0.434 . . . . 0.0 111.657 174.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.615 ' HD2' ' HG3' ' A' ' 66' ' ' GLU . 8.4 mttp 79.54 -42.2 0.26 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.239 176.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -108.74 161.96 14.62 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.434 -0.506 . . . . 0.0 110.986 -178.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 HD23 ' HE3' ' A' ' 65' ' ' LYS . 52.2 tp 74.04 -58.5 0.59 Allowed 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.32 -0.854 . . . . 0.0 112.004 175.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.678 ' HB2' ' HG2' ' A' ' 65' ' ' LYS . 26.4 t80 -103.71 82.68 2.04 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.793 0.33 . . . . 0.0 110.163 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 167.54 114.77 0.3 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.791 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 71.76 -90.55 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.598 0.759 . . . . 0.0 112.652 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -136.98 159.59 41.43 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -173.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -79.79 -26.93 40.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.098 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.2 m -58.48 -29.09 65.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.851 177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -56.85 -35.35 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.308 178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.0 t -73.84 -36.31 45.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.302 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.14 -41.99 93.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.345 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.59 -52.01 67.37 Favored 'General case' 0 C--O 1.224 -0.248 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 174.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.7 tt -52.31 -55.38 21.81 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.403 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.755 HD21 HG12 ' A' ' 112' ' ' ILE . 45.8 t-20 -54.28 -61.12 2.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.596 -1.183 . . . . 0.0 111.236 -178.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -71.79 -28.17 63.44 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.995 -171.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -67.45 -26.42 66.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.942 0.401 . . . . 0.0 110.161 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 68.3 m80 -95.65 -37.55 10.77 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.3 mt -82.07 -37.36 26.53 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -177.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.9 mt -98.1 -18.59 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.283 0.563 . . . . 0.0 110.151 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.653 ' CA ' ' HA ' ' A' ' 133' ' ' TYR . . . 85.44 13.74 69.96 Favored Glycine 0 N--CA 1.443 -0.89 0 CA-C-N 115.505 -0.77 . . . . 0.0 112.071 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -168.07 135.33 2.16 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -68.5 160.18 77.62 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.855 -179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_exo -46.58 138.24 14.53 Favored 'Trans proline' 0 C--N 1.353 0.779 0 C-N-CA 123.104 2.536 . . . . 0.0 112.586 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -68.92 -58.85 3.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.841 -171.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 93' ' ' GLU . 35.5 t70 -137.09 -177.4 4.74 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.596 0.236 . . . . 0.0 110.925 -175.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' H ' ' CG ' ' A' ' 92' ' ' ASP . 8.0 tp10 -51.21 -37.2 45.49 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.083 0.953 . . . . 0.0 112.052 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.7 p -54.07 -45.1 71.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.552 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.23 -40.1 78.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.048 0.451 . . . . 0.0 110.154 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 41.1 t -61.91 -51.17 75.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.478 -178.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.35 -51.18 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 92.0 t80 -57.68 -43.61 85.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.334 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -79.05 -34.48 43.75 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.6 mt -62.22 -42.09 98.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -55.54 -55.14 35.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.705 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' A' ' 111' ' ' ASP . 28.0 tp -66.04 -43.47 87.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.922 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -59.04 -46.64 87.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.325 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -85.23 -29.1 24.93 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.794 -175.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.41 -57.7 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.095 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -93.93 -32.18 13.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.324 -173.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 122.57 167.25 12.93 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.008 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -64.82 -31.04 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -55.72 -49.31 73.37 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.541 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.26 -44.78 82.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.414 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.531 ' HA ' HD23 ' A' ' 102' ' ' LEU . 28.0 t70 -65.01 -42.87 94.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.498 -178.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.755 HG12 HD21 ' A' ' 81' ' ' ASN . 74.1 mt -61.46 -34.3 60.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.337 0.589 . . . . 0.0 110.896 176.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.625 ' OD1' ' HD2' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -70.03 -25.48 63.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.605 -176.581 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.8 m -61.38 -28.34 69.18 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -65.87 -37.7 86.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.63 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.9 HG13 ' HD3' ' A' ' 56' ' ' ARG . 46.2 mm -77.87 -24.12 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.288 -178.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -79.74 14.21 1.81 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.417 177.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -110.71 80.78 2.24 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.891 0.377 . . . . 0.0 110.0 173.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -73.64 -43.29 0.66 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.409 2.073 . . . . 0.0 112.503 -175.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -57.01 -48.1 79.28 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.081 0.467 . . . . 0.0 110.63 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -65.09 -41.17 95.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.312 178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.773 HG21 ' HD2' ' A' ' 52' ' ' ARG . 54.3 m -61.02 -47.3 87.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.406 178.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -57.87 -37.16 73.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.952 0.406 . . . . 0.0 110.579 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 m -84.5 -17.96 37.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.827 -176.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -98.92 -38.4 9.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.846 0.355 . . . . 0.0 111.33 -177.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 147.83 106.82 0.45 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 121.088 -0.577 . . . . 0.0 111.691 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -65.18 -42.83 93.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.197 0.522 . . . . 0.0 110.301 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.504 ' CE3' HG23 ' A' ' 51' ' ' VAL . 79.2 m95 -114.55 38.02 3.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.55 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 58.0 t -118.21 143.07 30.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.552 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 63.2 t -78.78 127.33 80.47 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.157 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.78 130.91 37.07 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.97 2.447 . . . . 0.0 113.026 -178.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -126.1 163.81 22.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.416 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.653 ' HA ' ' CA ' ' A' ' 87' ' ' GLY . 18.8 p90 -72.01 122.46 20.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.36 0.6 . . . . 0.0 111.235 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.16 107.69 11.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.463 179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.61 -76.4 0.26 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.159 -0.543 . . . . 0.0 113.104 -174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -148.96 159.63 44.03 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.675 0.274 . . . . 0.0 110.512 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.789 ' HG2' ' H ' ' A' ' 138' ' ' HIS . 1.3 pm0 -87.24 -84.84 0.18 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.281 174.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.789 ' H ' ' HG2' ' A' ' 137' ' ' GLU . 30.3 m80 -155.03 162.82 40.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -153.41 139.05 17.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.062 0.458 . . . . 0.0 110.81 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -116.84 113.26 22.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.332 176.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -127.25 94.89 4.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.98 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -129.02 163.71 24.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.43 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.685 -0.674 . . . . 0.0 109.615 177.008 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 73.3 mtp . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.674 0.273 . . . . 0.0 110.714 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 1' ' ' MET . 3.1 Cg_exo -75.77 116.83 4.55 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.743 2.295 . . . . 0.0 111.523 175.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 130' ' ' VAL . 43.7 t -76.68 99.12 2.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' HA ' ' HA ' ' A' ' 129' ' ' VAL . 9.6 pt-20 -101.26 151.54 21.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.904 0.383 . . . . 0.0 111.417 -174.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.505 HD13 HG21 ' A' ' 17' ' ' VAL . 61.9 tp -115.83 111.64 20.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.593 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.1 mtp85 -95.25 162.51 13.66 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.199 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.97 -21.85 66.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.986 0.422 . . . . 0.0 111.012 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -113.44 87.05 2.52 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 175.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.527 ' CZ2' ' HG3' ' A' ' 45' ' ' ARG . 47.4 p-90 -109.5 152.85 24.9 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.476 -176.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -86.64 150.99 23.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.079 171.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 15' ' ' GLU . 38.8 tt0 -53.98 -45.98 71.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.664 -0.243 . . . . 0.0 111.61 -176.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -71.59 -25.16 62.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.924 0.392 . . . . 0.0 111.045 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -67.22 -46.52 73.57 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.4 tp -60.0 -38.38 82.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.357 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 11.6 mm-40 -55.66 -41.65 73.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.725 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 94.6 m -70.35 -38.23 74.78 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.057 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 5' ' ' LEU . 96.3 t -59.86 -53.71 44.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.99 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.494 ' HB ' ' CZ ' ' A' ' 22' ' ' TYR . 30.9 pt -69.31 -30.26 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.083 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 19' ' ' ARG . 9.3 ttp180 -67.29 -26.05 66.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.878 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.24 -31.73 38.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.447 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.3 t -75.2 -51.21 21.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.645 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' CZ ' ' HB ' ' A' ' 18' ' ' ILE . 23.8 p90 -133.13 140.73 47.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.07 0.462 . . . . 0.0 110.275 178.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -78.47 124.28 27.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.533 0.682 . . . . 0.0 112.286 -175.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -143.22 111.09 5.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.674 -1.148 . . . . 0.0 107.937 170.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.6 t -68.54 -50.71 53.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.754 -170.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -130.37 154.99 47.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.915 0.388 . . . . 0.0 110.702 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -88.65 91.31 1.72 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 172.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 p30 -83.48 176.41 9.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.934 0.397 . . . . 0.0 111.31 -176.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -95.58 12.09 30.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.601 -174.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -78.73 83.41 4.88 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.397 0.618 . . . . 0.0 111.113 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -76.85 -14.97 14.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.223 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 88.7 mtp -75.09 -10.37 59.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.337 177.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.79 32.8 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.157 178.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.3 p -71.56 -2.61 17.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.387 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -81.87 74.42 8.85 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.943 -0.473 . . . . 0.0 111.153 -177.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 55.1 ttt180 -166.38 71.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.97 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.59 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 77.9 mt 67.0 27.55 8.75 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 167.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.75 -36.84 68.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 120.972 0.415 . . . . 0.0 111.015 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.488 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 49.6 m -63.23 -40.76 98.38 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.983 0.421 . . . . 0.0 110.282 177.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.1 86.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.492 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.59 ' HG3' ' O ' ' A' ' 37' ' ' LEU . 61.0 mt-10 -57.09 -50.8 71.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 177.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.7 t -62.51 -39.95 95.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.013 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 39' ' ' SER . 88.1 mt -66.34 -40.18 89.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.973 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.9 tp -71.1 -40.96 71.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.353 178.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.527 ' HG3' ' CZ2' ' A' ' 9' ' ' TRP . 65.9 ttp85 -57.69 -37.12 72.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.134 179.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -94.23 10.29 34.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.285 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.36 30.07 64.16 Favored Glycine 0 C--N 1.333 0.367 0 CA-C-N 116.028 -0.533 . . . . 0.0 113.127 176.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -84.65 -28.45 26.43 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.009 0.433 . . . . 0.0 110.447 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 pt -117.61 153.26 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.109 177.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.3 p -76.37 154.97 34.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.433 HG23 ' CE3' ' A' ' 128' ' ' TRP . 84.2 t -60.36 -36.23 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 178.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.702 ' HD3' HG21 ' A' ' 122' ' ' THR . 18.7 ttp180 -56.26 -47.4 78.64 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.164 0.507 . . . . 0.0 110.434 176.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -70.11 -36.23 74.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.661 -178.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.485 ' O ' HG23 ' A' ' 58' ' ' VAL . 91.7 t80 -60.01 -51.96 67.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 177.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.9 -40.15 82.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.71 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HB2' HG21 ' A' ' 116' ' ' ILE . 12.9 ttp180 -57.16 -50.48 72.69 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.299 177.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.99 -51.07 71.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.766 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.555 HG22 HD13 ' A' ' 37' ' ' LEU . 86.3 t -56.73 -51.75 62.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.821 -177.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.61 -28.6 68.63 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -173.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -100.65 5.7 43.87 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 -174.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.512 ' OG ' HD21 ' A' ' 37' ' ' LEU . 62.2 p -120.07 16.75 12.47 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -174.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -54.08 133.76 43.88 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.173 0.511 . . . . 0.0 110.881 178.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 80.1 mt -58.79 -63.53 1.26 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.867 -170.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -120.22 160.83 22.16 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.881 0.372 . . . . 0.0 111.088 -173.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.509 ' HG3' HD23 ' A' ' 69' ' ' LEU . 87.4 tttt -92.83 95.3 9.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.682 176.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -129.06 -159.28 0.94 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.514 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -64.96 91.64 0.09 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.248 0.546 . . . . 0.0 111.844 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.5 p90 175.95 -36.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 174.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.715 HD12 HG11 ' A' ' 77' ' ' VAL . 55.7 tp -103.52 -22.15 13.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.876 -1.057 . . . . 0.0 109.41 174.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -101.32 133.81 45.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.244 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.16 175.38 46.08 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -74.02 -61.57 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 0.0 109.759 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -86.62 82.95 7.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.98 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -57.71 -22.2 45.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.776 -179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.491 HG23 HG11 ' A' ' 96' ' ' VAL . 17.9 m -44.65 -37.83 3.92 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.324 172.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.407 ' HA ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -59.59 -31.37 69.41 Favored 'General case' 0 C--O 1.226 -0.162 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.642 -179.554 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.715 HG11 HD12 ' A' ' 69' ' ' LEU . 47.0 t -72.39 -40.61 64.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.864 0.364 . . . . 0.0 110.666 -177.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.37 -43.96 97.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.112 0.482 . . . . 0.0 109.921 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 83' ' ' LYS . 47.4 mt-10 -63.39 -36.99 85.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.961 175.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 77' ' ' VAL . 10.2 tt -55.42 -48.87 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.927 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -65.73 -39.34 91.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.553 176.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -59.26 -50.43 74.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.696 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 79' ' ' GLU . 14.8 mtpp -69.56 -24.41 63.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.319 -176.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -90.58 -40.01 12.19 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.495 HD11 HG23 ' A' ' 112' ' ' ILE . 94.9 mt -89.77 -42.82 11.08 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.694 -173.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' HG ' ' HD1' ' A' ' 115' ' ' TYR . 53.7 mt -96.1 -21.73 17.76 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.112 0.482 . . . . 0.0 110.439 177.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.53 18.87 57.91 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.573 -0.822 . . . . 0.0 113.17 175.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.447 ' HA ' ' CE1' ' A' ' 133' ' ' TYR . 0.0 OUTLIER -156.57 176.91 12.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.319 0.56 . . . . 0.0 110.738 175.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.91 157.18 46.37 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.096 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.21 142.12 56.96 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.448 2.098 . . . . 0.0 111.774 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -78.41 -33.45 48.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.312 0.577 . . . . 0.0 109.683 -176.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -146.91 158.64 43.98 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.162 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.482 ' O ' HG13 ' A' ' 97' ' ' ILE . 13.4 pt-20 -75.06 -10.81 59.82 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.53 -178.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 40.8 p -59.82 -39.03 83.69 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 121.226 0.536 . . . . 0.0 109.98 172.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.4 ' O ' ' HD2' ' A' ' 99' ' ' HIS . 37.0 mt-10 -64.79 -39.61 93.88 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.488 175.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG11 HG23 ' A' ' 75' ' ' THR . 58.2 t -61.24 -44.99 99.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.357 177.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 93' ' ' GLU . 72.7 mt -56.79 -45.19 82.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.734 177.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -58.96 -43.73 91.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.772 176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.4 ' HD2' ' O ' ' A' ' 95' ' ' GLU . 47.4 m-70 -72.37 -34.59 68.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.308 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.23 -49.02 79.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.124 0.488 . . . . 0.0 109.953 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.25 -48.38 79.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.732 177.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 111' ' ' ASP . 52.3 tp -60.56 -45.33 94.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.821 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -66.01 -37.77 86.76 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.059 -177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.2 -33.79 29.23 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.937 -177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -81.53 -58.98 2.78 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.396 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -94.06 -32.85 13.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.75 0.31 . . . . 0.0 111.318 -174.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 116.5 176.59 17.97 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.856 175.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -63.22 -24.75 68.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.875 0.369 . . . . 0.0 110.787 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.559 ' O ' ' HB2' ' A' ' 113' ' ' ASP . 16.4 t70 -55.51 -48.71 74.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.449 176.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.1 -35.18 59.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.24 -178.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.445 ' HA ' HD23 ' A' ' 102' ' ' LEU . 29.5 t70 -59.69 -57.71 11.76 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.495 HG23 HD11 ' A' ' 85' ' ' LEU . 63.5 mt -62.13 -37.66 79.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.073 0.463 . . . . 0.0 110.812 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 109' ' ' ASP . 1.3 t70 -67.27 -33.67 75.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.395 -175.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 87.0 p -58.32 -39.81 80.41 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 -175.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.439 ' HD1' ' HG ' ' A' ' 86' ' ' LEU . 93.7 m-85 -64.25 -37.45 87.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.354 0.597 . . . . 0.0 110.596 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' A' ' 56' ' ' ARG . 40.1 mt -90.35 -15.01 8.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.221 -170.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -75.62 -16.42 60.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.142 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.2 t -92.16 110.98 47.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 120.922 0.392 . . . . 0.0 111.142 -179.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.0 -25.27 16.45 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.541 2.16 . . . . 0.0 111.68 178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.53 -53.19 60.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.97 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -72.93 -33.29 65.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.127 -179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.702 HG21 ' HD3' ' A' ' 52' ' ' ARG . 95.5 m -58.19 -55.92 28.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.032 0.444 . . . . 0.0 110.524 176.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.489 ' HA ' ' OD1' ' A' ' 127' ' ' ASP . 4.4 t-20 -65.77 -26.4 67.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.906 -178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.2 t -79.22 -17.59 54.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.916 -177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.566 ' CE1' ' HA3' ' A' ' 135' ' ' GLY . 1.9 t80 -114.93 -38.38 3.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.609 -0.436 . . . . 0.0 111.34 -176.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.642 ' HA3' ' HB ' ' A' ' 129' ' ' VAL . . . 154.72 103.37 0.22 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.255 -0.974 . . . . 0.0 112.814 178.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.489 ' OD1' ' HA ' ' A' ' 123' ' ' ASN . 4.9 m-20 -65.95 -34.59 78.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.291 0.567 . . . . 0.0 110.603 178.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.433 ' CE3' HG23 ' A' ' 51' ' ' VAL . 91.9 m95 -120.56 26.27 9.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.978 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.642 ' HB ' ' HA3' ' A' ' 126' ' ' GLY . 61.7 t -121.65 137.14 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.478 -176.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 3' ' ' VAL . 61.3 t -79.13 120.57 81.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.566 ' HB3' ' HE2' ' A' ' 125' ' ' PHE . 50.8 Cg_exo -54.98 141.77 77.93 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.256 2.638 . . . . 0.0 113.604 -176.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 37.4 p90 -123.24 172.38 8.66 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.447 ' CE1' ' HA ' ' A' ' 88' ' ' ARG . 2.4 t80 -81.43 129.85 34.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.084 0.468 . . . . 0.0 111.21 -177.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 67.51 70.74 0.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.688 -177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 125' ' ' PHE . . . -118.71 77.5 0.3 Allowed Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.135 -0.939 . . . . 0.0 112.576 177.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 37.0 mt 62.09 95.18 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.561 0.696 . . . . 0.0 112.469 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -27.55 40.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.645 175.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -123.64 116.84 23.76 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 171.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.71 112.76 1.74 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.544 0.688 . . . . 0.0 111.705 -172.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 24.1 m170 62.09 -89.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.406 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -163.37 -171.43 2.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.652 0.263 . . . . 0.0 110.907 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -130.38 -178.6 4.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.825 178.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 . . . . . 0 C--O 1.245 0.836 0 CA-C-O 118.547 -0.74 . . . . 0.0 109.942 177.545 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttm . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.96 155.21 69.34 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.646 2.231 . . . . 0.0 111.788 176.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -83.24 107.58 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.983 0.421 . . . . 0.0 109.885 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -140.32 147.99 40.7 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.604 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.562 ' HB2' HG21 ' A' ' 17' ' ' VAL . 31.6 tp -106.47 102.54 11.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.44 -178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 43.8 mtm-85 -73.49 151.8 40.92 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 121.17 -0.212 . . . . 0.0 110.559 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.16 -41.0 64.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.867 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -93.58 89.62 6.32 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.252 0.549 . . . . 0.0 109.706 172.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.546 ' HH2' ' HG3' ' A' ' 45' ' ' ARG . 64.4 p-90 -115.2 160.36 19.82 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.359 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -109.96 169.22 8.87 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 171.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -54.87 -36.36 65.04 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.911 0.386 . . . . 0.0 111.016 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.82 -37.98 86.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.568 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 17' ' ' VAL . 20.5 m-20 -63.26 -51.64 65.32 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.169 0.509 . . . . 0.0 109.925 175.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 tp -57.26 -44.78 84.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.748 -177.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -55.42 -51.68 66.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.965 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.3 m -60.9 -40.32 92.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG21 ' HB2' ' A' ' 5' ' ' LEU . 96.3 t -65.53 -50.18 73.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.803 179.379 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.24 -39.01 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.198 0.523 . . . . 0.0 110.827 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.462 ' HD2' ' O ' ' A' ' 19' ' ' ARG . 2.6 tmm_? -66.2 -30.73 71.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.575 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.94 -37.87 21.75 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.451 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 17' ' ' VAL . 96.7 t -65.03 -51.51 65.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 120.877 0.37 . . . . 0.0 110.264 178.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -82.71 72.4 9.78 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 174.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -79.63 99.23 7.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.697 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -80.33 89.99 5.56 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.09 -173.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.488 HG12 HD22 ' A' ' 26' ' ' LEU . 25.7 t -75.77 -50.7 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 172.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.488 HD22 HG12 ' A' ' 25' ' ' VAL . 3.4 mm? -128.52 -172.43 2.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.899 172.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.98 143.4 10.53 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.396 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -81.04 162.73 23.66 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 175.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.67 -174.71 5.29 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -78.37 82.29 4.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.172 0.511 . . . . 0.0 111.003 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 m -84.66 1.53 4.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.209 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.3 mmt 68.58 29.7 5.4 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.693 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.44 -51.38 24.21 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.7 m 59.42 23.85 12.42 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.142 -0.936 . . . . 0.0 113.064 171.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.704 ' HG3' ' H ' ' A' ' 37' ' ' LEU . 17.2 tp10 -98.21 -61.78 1.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.3 mtm180 61.69 14.5 6.15 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.297 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.704 ' H ' ' HG3' ' A' ' 35' ' ' GLU . 86.6 mt 63.83 29.7 14.63 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.422 177.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 p -65.7 -26.04 37.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.339 0.59 . . . . 0.0 109.736 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.1 p -63.6 -41.23 98.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.322 174.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.42 -37.06 84.35 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.307 177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -58.57 -43.64 89.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.032 174.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.2 t -64.55 -41.01 96.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.957 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 39' ' ' SER . 85.9 mt -58.37 -46.57 86.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.912 0.386 . . . . 0.0 110.267 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.2 tp -66.65 -43.96 83.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.302 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.546 ' HG3' ' HH2' ' A' ' 9' ' ' TRP . 32.6 ttt180 -61.84 -38.13 87.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.906 -176.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.401 ' HA ' HD22 ' A' ' 46' ' ' ASN . 0.6 OUTLIER -91.66 8.8 35.13 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.087 -176.193 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.41 32.1 68.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.088 -0.577 . . . . 0.0 113.145 175.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -88.59 -31.73 18.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.876 0.37 . . . . 0.0 110.346 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.807 ' HB ' ' HB2' ' A' ' 53' ' ' GLU . 43.0 pt -135.9 166.57 26.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.858 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 57.5 p -97.63 -176.54 3.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.406 HG23 ' CE3' ' A' ' 128' ' ' TRP . 95.6 t -62.1 -28.16 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.393 . . . . 0.0 110.339 177.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.484 ' CD ' HG21 ' A' ' 122' ' ' THR . 28.4 mtm180 -62.8 -51.0 68.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.465 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.807 ' HB2' ' HB ' ' A' ' 49' ' ' ILE . 3.9 mp0 -66.97 -33.83 76.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.98 0.419 . . . . 0.0 110.333 178.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' O ' HG23 ' A' ' 58' ' ' VAL . 69.8 t80 -62.53 -53.67 51.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.452 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 51' ' ' VAL . 93.6 t -63.71 -35.39 72.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.593 HH21 ' HG3' ' A' ' 53' ' ' GLU . 59.0 ttp85 -61.91 -42.2 98.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.399 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.64 -35.2 80.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.815 0.341 . . . . 0.0 110.681 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 54' ' ' PHE . 69.2 t -70.82 -46.28 69.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.945 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.81 -33.6 66.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.779 -176.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 53.1 mtpt -100.41 17.15 22.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.387 -176.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.9 p -66.83 170.46 6.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.161 177.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.91 168.0 19.8 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 122.266 -0.271 . . . . 0.0 111.707 -175.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 99.3 mt 72.28 173.71 0.3 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.934 0.771 . . . . 0.0 111.213 -177.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 18.6 t80 56.83 68.74 0.82 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 123.646 0.591 . . . . 0.0 111.031 174.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.576 ' HA ' ' HA ' ' A' ' 69' ' ' LEU . 62.3 mttp -150.8 177.7 9.85 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 72.57 89.66 0.09 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 124.358 1.036 . . . . 0.0 112.005 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.469 ' C ' ' H ' ' A' ' 69' ' ' LEU . 97.6 mttt 63.24 116.84 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.095 0.872 . . . . 0.0 111.424 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.493 ' O ' ' HB2' ' A' ' 69' ' ' LEU . 16.3 t80 66.0 -10.55 0.24 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.403 -171.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.624 ' HG ' HG13 ' A' ' 77' ' ' VAL . 61.8 mt 68.51 39.95 2.03 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.573 -166.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.54 ' HB2' ' O ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER 173.51 -40.58 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 173.491 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -123.03 -103.29 1.66 Allowed Glycine 0 CA--C 1.52 0.388 0 C-N-CA 120.764 -0.731 . . . . 0.0 113.683 -173.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -126.46 174.4 8.66 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 122.92 -0.165 . . . . 0.0 111.271 -175.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 69.92 104.26 0.06 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.391 0.676 . . . . 0.0 112.232 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -64.06 -39.64 94.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.987 176.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 21.7 m -56.64 -32.24 65.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.117 0.484 . . . . 0.0 111.422 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -68.1 -24.9 65.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.749 -176.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.624 HG13 ' HG ' ' A' ' 69' ' ' LEU . 83.9 t -61.87 -52.45 60.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 121.16 0.505 . . . . 0.0 109.771 176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.471 HD13 ' HB2' ' A' ' 99' ' ' HIS . 48.4 mt -56.76 -45.96 83.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.821 -179.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -62.2 -42.79 99.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.161 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.57 -37.75 73.99 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.23 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -62.38 -42.81 99.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.663 0.268 . . . . 0.0 110.61 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -63.78 -43.78 95.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.242 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.31 -32.5 73.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.91 0.386 . . . . 0.0 111.423 177.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -81.29 -29.5 34.27 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.839 -175.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.9 mt -101.35 -53.66 2.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.1 mt -105.22 -26.61 11.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.12 0.486 . . . . 0.0 111.433 -173.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.661 ' HA3' ' HA ' ' A' ' 133' ' ' TYR . . . 75.24 14.91 81.47 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.572 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -123.07 132.87 54.29 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.47 155.45 58.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 123.565 0.54 . . . . 0.0 111.395 -178.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -50.23 143.34 26.23 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.167 2.578 . . . . 0.0 112.115 177.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.646 ' HB2' ' HG3' ' A' ' 95' ' ' GLU . 83.7 m-85 -68.77 -33.97 74.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.42 -170.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -156.98 167.67 29.78 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -178.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.537 ' O ' HG12 ' A' ' 97' ' ' ILE . 6.6 tp10 -63.41 -41.24 98.72 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 175.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -65.76 -34.52 78.36 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.045 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.646 ' HG3' ' HB2' ' A' ' 91' ' ' TYR . 1.4 tm-20 -58.87 -44.01 90.99 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.125 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.57 -43.19 96.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.746 175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 93' ' ' GLU . 47.9 mm -58.63 -42.33 84.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.467 178.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 94.6 t80 -58.8 -42.97 90.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.709 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.471 ' HB2' HD13 ' A' ' 78' ' ' ILE . 54.0 m-70 -71.71 -35.65 70.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.417 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.447 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 86.9 mt -58.27 -48.05 81.67 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 175.265 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -65.0 -35.95 82.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.708 176.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.1 tp -63.15 -42.36 99.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.412 178.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.457 ' O ' ' HA2' ' A' ' 107' ' ' GLY . 23.0 t80 -63.15 -36.68 84.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.193 179.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 46.2 mt-10 -75.7 -47.57 25.63 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.854 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.78 -59.1 3.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.978 -175.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -102.97 -36.13 8.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.747 -172.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 103' ' ' TYR . . . 111.2 177.69 20.4 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.643 177.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 112' ' ' ILE . 23.3 p90 -60.75 -24.17 65.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.564 -0.318 . . . . 0.0 111.011 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.533 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -53.78 -59.92 3.99 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.526 175.35 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 113' ' ' ASP . . . -66.0 -28.63 69.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.388 -177.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -63.62 -43.82 95.73 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.669 -0.413 . . . . 0.0 109.892 178.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 108' ' ' PHE . 36.2 mm -67.76 -45.24 84.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 CA-C-O 121.413 0.625 . . . . 0.0 110.045 174.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.46 ' HB2' ' HA ' ' A' ' 110' ' ' ALA . 8.8 m-20 -63.74 -20.24 65.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.338 -0.847 . . . . 0.0 112.101 -178.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.3 m -47.7 -42.71 25.66 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.425 0.155 . . . . 0.0 111.314 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -88.33 -50.86 6.07 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 177.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 56' ' ' ARG . 55.8 mt -74.53 -30.44 25.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -168.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.29 -13.2 50.44 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.838 0.352 . . . . 0.0 110.621 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 57.6 p -100.15 117.63 62.87 Favored Pre-proline 0 C--O 1.236 0.376 0 CA-C-O 121.235 0.54 . . . . 0.0 110.83 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.86 -39.82 58.65 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.765 2.31 . . . . 0.0 112.515 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -59.71 -45.25 92.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.9 0.381 . . . . 0.0 111.145 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -71.5 -34.94 70.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.446 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.484 HG21 ' CD ' ' A' ' 52' ' ' ARG . 28.4 m -75.89 -50.93 13.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.996 0.427 . . . . 0.0 110.61 178.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -61.32 -19.91 62.33 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.1 t -47.37 -49.61 24.14 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.565 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -127.88 -12.11 5.36 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 151.42 144.81 4.0 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 119.512 -1.328 . . . . 0.0 113.81 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -88.21 -32.74 18.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.502 0.668 . . . . 0.0 110.085 179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . 0.446 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 82.0 m95 -103.45 19.1 20.38 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.157 -173.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 59.2 t -93.91 141.24 15.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.794 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 84.4 t -75.49 136.19 71.67 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.38 177.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -39.03 119.8 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 124.316 3.344 . . . . 0.0 113.033 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -87.27 143.83 27.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.303 -174.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . 0.725 ' HD2' ' HB2' ' A' ' 136' ' ' LEU . 34.6 t80 -109.7 122.18 46.89 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 160.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.64 100.87 3.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.024 0.44 . . . . 0.0 110.201 -175.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 106.44 -121.29 6.59 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.702 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.725 ' HB2' ' HD2' ' A' ' 133' ' ' TYR . 16.3 tp 71.97 -50.42 0.69 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.017 0.927 . . . . 0.0 112.196 176.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -83.18 114.55 21.42 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.955 0.407 . . . . 0.0 111.13 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -135.01 72.6 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.956 0.884 . . . . 0.0 110.714 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -131.93 106.53 8.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.664 -1.153 . . . . 0.0 109.254 175.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -157.56 83.62 0.9 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 176.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 72.63 138.26 0.05 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 124.034 0.834 . . . . 0.0 111.616 175.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -124.77 -6.8 7.37 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.362 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 22.8 t-80 . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.503 174.239 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.545 ' HB3' ' HD2' ' A' ' 2' ' ' PRO . 4.3 mpp? . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.545 ' HD2' ' HB3' ' A' ' 1' ' ' MET . 50.8 Cg_exo -53.37 153.04 18.38 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.523 2.149 . . . . 0.0 111.774 175.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.12 109.61 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-O 121.185 0.517 . . . . 0.0 111.902 -176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.42 156.75 30.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.118 178.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 tp -112.42 100.29 8.66 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.513 ' O ' ' HD1' ' A' ' 9' ' ' TRP . 84.9 mtt-85 -80.73 158.08 25.65 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.225 -178.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.63 37.16 0.14 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.943 0.401 . . . . 0.0 111.979 -178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 6' ' ' ARG . 7.7 t30 -169.86 77.09 0.09 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.513 ' HD1' ' O ' ' A' ' 6' ' ' ARG . 42.5 p-90 -118.61 169.96 9.36 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.549 -173.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.5 t -114.67 172.45 7.03 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 170.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.61 -33.71 75.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.598 0.237 . . . . 0.0 111.288 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -63.35 -43.9 96.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.149 0.499 . . . . 0.0 109.729 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -66.15 -44.68 83.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.163 177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.81 -46.07 90.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.859 -179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -58.72 -37.44 76.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 0.0 110.425 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.6 m -61.42 -43.06 99.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.566 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 21' ' ' VAL . 62.9 t -69.81 -49.45 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.012 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 74.6 mt -58.14 -50.22 78.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.296 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -67.08 -31.84 72.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.492 -178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.62 -33.34 75.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.9 0.381 . . . . 0.0 110.753 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 17' ' ' VAL . 68.1 t -76.93 -53.15 15.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.083 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -156.32 -171.0 3.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.043 -175.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 66.13 37.32 5.19 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.637 0.732 . . . . 0.0 109.853 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.414 ' H ' ' CD ' ' A' ' 24' ' ' GLN . 5.5 pm0 -78.72 14.52 1.3 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.054 -0.975 . . . . 0.0 112.059 -176.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.7 m -81.73 134.16 27.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.078 0.466 . . . . 0.0 110.745 179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -109.94 125.89 53.32 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.784 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.501 ' HA3' HG12 ' A' ' 31' ' ' VAL . . . -148.99 133.21 4.41 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.302 178.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -92.81 -50.04 5.77 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -127.68 133.34 49.6 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.535 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 63.77 82.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.677 0.61 . . . . 0.0 110.636 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG12 ' HA3' ' A' ' 27' ' ' GLY . 34.9 m -95.19 148.01 5.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.963 -178.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.44 ' O ' ' HG3' ' A' ' 32' ' ' MET . 25.4 ptt? -121.79 106.66 11.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.392 0.615 . . . . 0.0 110.402 176.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.41 96.99 6.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.628 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.7 m -70.42 -37.54 74.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.466 0.651 . . . . 0.0 110.063 175.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -116.23 95.4 5.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.618 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' HB2' HG13 ' A' ' 38' ' ' VAL . 10.9 ptt180 -103.27 -47.94 4.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.743 -177.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.1 mt 52.19 44.16 29.94 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.212 0.529 . . . . 0.0 110.776 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.446 HG13 ' HB2' ' A' ' 36' ' ' ARG . 17.0 m -60.76 -33.75 56.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.933 -174.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.42 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 14.0 m -67.28 -41.72 84.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.065 0.46 . . . . 0.0 110.295 177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.03 -36.32 77.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.47 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.01 -49.07 79.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.518 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.8 m -58.47 -42.74 88.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.726 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' SER . 97.5 mt -60.62 -38.88 86.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.042 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.5 tp -78.18 -40.25 38.29 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.827 0.346 . . . . 0.0 110.812 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.43 ' O ' ' HH2' ' A' ' 9' ' ' TRP . 58.6 ttt180 -68.41 -34.19 75.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.471 -175.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -85.2 -24.52 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.526 176.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.59 49.1 2.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.965 -0.635 . . . . 0.0 113.087 176.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -98.42 -47.84 5.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.726 0.298 . . . . 0.0 110.568 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 43.3 pt -96.53 172.72 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.208 -175.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.3 p -102.6 168.54 9.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.291 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.1 t -64.5 -28.29 44.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.863 0.363 . . . . 0.0 110.102 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -55.4 -44.6 76.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.38 176.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.17 -34.7 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.875 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -61.03 -47.59 85.73 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 177.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.25 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.039 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 33.0 ttm180 -49.16 -52.45 26.37 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.422 178.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.2 -47.37 86.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.678 -175.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.9 t -73.82 -40.76 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.072 -176.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.34 -52.6 63.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.332 -174.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 56' ' ' ARG . 16.3 ptpt -85.23 16.5 3.56 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -176.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.8 m -109.18 -91.49 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.149 176.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 48.64 32.96 3.79 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 122.842 0.457 . . . . 0.0 111.935 -175.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.9 mt 69.83 6.35 5.69 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.441 0.696 . . . . 0.0 112.299 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 69.04 -68.68 0.18 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.548 0.739 . . . . 0.0 111.561 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -149.52 114.77 5.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.429 0.633 . . . . 0.0 110.598 178.17 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.78 -33.86 0.84 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.766 173.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -135.29 -2.69 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.891 0.377 . . . . 0.0 110.513 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.445 ' HD2' HG13 ' A' ' 77' ' ' VAL . 41.7 p90 -139.29 179.78 6.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.521 179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.443 HD23 ' HE3' ' A' ' 65' ' ' LYS . 22.6 tp 74.65 161.02 0.24 Allowed 'General case' 0 N--CA 1.469 0.518 0 O-C-N 124.109 0.881 . . . . 0.0 111.03 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.0 t80 69.91 -63.68 0.38 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.61 0.764 . . . . 0.0 111.516 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -97.0 -177.49 34.87 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.359 -177.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 64.13 -156.17 0.31 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -91.5 130.22 37.36 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.971 0.415 . . . . 0.0 110.369 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.86 ' HA ' HE21 ' A' ' 74' ' ' GLN . 0.0 OUTLIER -64.68 -26.57 68.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.678 -179.023 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.512 HG22 HD21 ' A' ' 100' ' ' LEU . 54.7 p -61.61 -46.33 90.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.508 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.592 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 97.9 mtt180 -68.43 -28.74 67.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.605 -175.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.445 HG13 ' HD2' ' A' ' 68' ' ' PHE . 58.5 t -59.22 -50.29 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 175.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.536 HD13 ' HB3' ' A' ' 99' ' ' HIS . 70.0 mt -60.68 -42.57 92.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.296 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 75' ' ' THR . 49.1 mt-10 -58.72 -38.72 78.97 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 178.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 76' ' ' ARG . 90.3 mt -61.35 -56.71 17.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.063 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -65.33 -36.16 83.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.853 0.359 . . . . 0.0 110.296 -178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.509 ' HB2' ' O ' ' A' ' 78' ' ' ILE . 7.7 t80 -55.89 -49.54 73.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.838 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -66.32 -40.19 89.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.089 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -62.79 -41.5 99.29 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 -178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.453 ' O ' ' HB2' ' A' ' 131' ' ' PRO . 93.0 mt -84.34 -50.47 7.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.064 -0.516 . . . . 0.0 112.336 -173.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.0 mt -96.73 -10.5 26.7 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 -169.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 60.1 30.08 69.65 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.094 -174.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.533 ' HG3' ' HD2' ' A' ' 134' ' ' ARG . 69.0 ttt180 -143.91 141.07 30.06 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -171.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.89 147.92 37.19 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-O 120.502 0.191 . . . . 0.0 110.594 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.33 129.49 30.06 Favored 'Trans proline' 0 C--O 1.236 0.414 0 C-N-CA 122.665 2.243 . . . . 0.0 111.754 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -81.21 -42.48 20.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.879 -176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -117.94 177.56 4.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.979 -177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.562 ' O ' HG12 ' A' ' 97' ' ' ILE . 32.7 tt0 -87.04 -28.48 22.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.52 -176.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 18.6 t -63.29 -38.14 89.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.663 -175.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -46.88 82.87 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.455 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 41.7 t -64.41 -41.34 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.042 -179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.562 HG12 ' O ' ' A' ' 93' ' ' GLU . 50.5 mm -58.94 -39.82 78.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.378 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -63.18 -41.68 99.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.225 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.536 ' HB3' HD13 ' A' ' 78' ' ' ILE . 89.7 m-70 -66.84 -38.59 86.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.647 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.512 HD21 HG22 ' A' ' 75' ' ' THR . 88.1 mt -58.12 -48.29 80.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.206 179.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 105' ' ' ASN . 20.5 t70 -60.75 -47.62 85.5 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.475 179.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.24 -45.44 94.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.874 0.369 . . . . 0.0 111.004 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -58.94 -42.12 89.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.627 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -87.89 -18.32 29.45 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 121.056 -0.257 . . . . 0.0 111.664 -176.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.691 ' HB2' ' O ' ' A' ' 101' ' ' ASP . 1.2 t-20 -85.17 -58.24 2.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.776 0.322 . . . . 0.0 111.253 -177.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -105.82 -33.56 7.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.291 -175.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 138.77 172.33 12.52 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.298 175.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -67.41 -38.48 84.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.232 0.539 . . . . 0.0 109.732 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.45 -40.37 74.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.564 177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.21 -39.95 74.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.764 -177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -68.07 -40.46 82.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.575 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 35.4 mm -64.28 -34.41 68.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.396 0.617 . . . . 0.0 110.313 175.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.529 ' HA ' HD12 ' A' ' 116' ' ' ILE . 9.7 t70 -70.39 -20.28 62.95 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.426 -175.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.3 p -54.08 -46.63 72.09 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.629 ' HD1' ' HB3' ' A' ' 121' ' ' TYR . 26.5 t80 -62.35 -29.69 70.64 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.141 0.496 . . . . 0.0 111.164 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 113' ' ' ASP . 9.8 mt -85.16 -33.91 8.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.437 -176.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -82.46 -30.63 29.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.534 -176.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 62.5 p -85.37 120.88 73.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 121.072 0.463 . . . . 0.0 111.272 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.86 -25.47 52.82 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.346 2.031 . . . . 0.0 111.343 177.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.85 -58.13 9.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.793 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.629 ' HB3' ' HD1' ' A' ' 115' ' ' TYR . 45.6 m-85 -63.88 -39.15 93.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.744 179.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 76.8 m -56.88 -52.27 65.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.301 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -20.72 57.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.838 0.351 . . . . 0.0 110.791 -177.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 18.8 t -63.62 -49.6 72.66 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.665 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -97.07 -34.7 11.07 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.967 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 124.93 135.35 4.36 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 52' ' ' ARG . 52.8 t0 -69.07 -50.52 47.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TRP . . . . . . . . . . . . . 52.3 m95 -95.21 12.93 27.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.898 -177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 49.0 t -113.17 136.9 48.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.134 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 39.8 t -78.8 118.12 70.57 Favored Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.453 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 65.5 Cg_exo -50.95 119.79 5.79 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.938 2.425 . . . . 0.0 112.53 -177.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.4 ' HB3' ' HB3' ' A' ' 2' ' ' PRO . 41.2 p90 -87.41 160.74 18.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.094 -175.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -78.1 136.98 37.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.052 176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.533 ' HD2' ' HG3' ' A' ' 88' ' ' ARG . 1.8 ptm180 -76.63 -10.17 59.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.827 179.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -124.02 -149.44 7.71 Favored Glycine 0 N--CA 1.444 -0.781 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.962 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 11.0 tp 56.82 33.47 23.12 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.582 0.706 . . . . 0.0 110.141 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -67.31 140.78 57.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.356 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.419 ' HD2' ' HB2' ' A' ' 140' ' ' HIS . 74.6 t60 -61.74 119.41 8.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 174.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -57.87 -42.55 84.8 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.129 0.268 . . . . 0.0 111.063 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.419 ' HB2' ' HD2' ' A' ' 138' ' ' HIS . 6.6 t-80 64.27 92.91 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.418 0.628 . . . . 0.0 112.147 171.225 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -140.83 -38.61 0.43 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.347 171.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -87.1 90.64 8.43 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 172.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.0 t60 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.431 -179.998 . . . . . . . . 0 0 . 1 stop_ save_